Positron-attachment to small molecules: Vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach

Energy Technology Data Exchange (ETDEWEB)

Tachikawa, Masanori [Quantum Chemistry Division, Graduate School of NanoBioScience, Yokohama City University, 22-2 Seto, Kanazawa, Yokohama 236-0027 (Japan)

2015-12-31

To theoretically demonstrate the binding of a positron to small polarized molecules, we have calculated the vibrational averaged positron affinity (PA) values along the local vibrational contribution with the configuration interaction level of multi-component molecular orbital method. This method can take the electron-positron correlation contribution into account through single electronic - single positronic excitation configurations. The PA values are enhanced by including the local vibrational contribution from vertical PA values due to the anharmonicity of the potential.

Polymeric molecular sieve membranes via in situ cross-linking of non-porous polymer membrane templates.

Science.gov (United States)

Qiao, Zhen-An; Chai, Song-Hai; Nelson, Kimberly; Bi, Zhonghe; Chen, Jihua; Mahurin, Shannon M; Zhu, Xiang; Dai, Sheng

2014-04-16

High-performance polymeric membranes for gas separation are attractive for molecular-level separations in industrial-scale chemical, energy and environmental processes. Molecular sieving materials are widely regarded as the next-generation membranes to simultaneously achieve high permeability and selectivity. However, most polymeric molecular sieve membranes are based on a few solution-processable polymers such as polymers of intrinsic microporosity. Here we report an in situ cross-linking strategy for the preparation of polymeric molecular sieve membranes with hierarchical and tailorable porosity. These membranes demonstrate exceptional performance as molecular sieves with high gas permeabilities and selectivities for smaller gas molecules, such as carbon dioxide and oxygen, over larger molecules such as nitrogen. Hence, these membranes have potential for large-scale gas separations of commercial and environmental relevance. Moreover, this strategy could provide a possible alternative to 'classical' methods for the preparation of porous membranes and, in some cases, the only viable synthetic route towards certain membranes.

Facile graft polystyrene onto multi-walled carbon nanotubes via in situ thermo-induced radical polymerization

International Nuclear Information System (INIS)

Liu Peng

2009-01-01

A facile procedure was developed for the grafting of polystyrene onto the surfaces of multi-walled carbon nanotubes (MWNTs) via the in situ thermo-induced bulk radical polymerization of styrene at the different polymerizing temperatures, in the presence of MWNTs without any initiator added. The grafting products were validated by the dispersibility, TEM, TGA, FT-IR, and Raman analysis. The TGA results also showed the lower polymerizing temperature was propitious to the free radical addition reactions.

Molecular weight control in emulsion polymerization by catalytic chain transfer : a reaction engineering approach

NARCIS (Netherlands)

Smeets, N.M.B.; Meda, U.S.; Heuts, J.P.A.; Keurentjes, J.T.F.; Herk, van A.M.; Meuldijk, J.

2007-01-01

For the application of catalytic chain transfer in (mini)emulsion polymerization, catalyst partitioning and deactivation are key parameters that govern the actual catalyst concentration at the locus of polymerization and consequently the final molecular weight distribution. A global model, based on

Cellulose acetate-based molecularly imprinted polymeric membrane for separation of vanillin and o-vanillin

OpenAIRE

Zhang,Chunjing; Zhong,Shian; Yang,Zhengpeng

2008-01-01

Cellulose acetate-based molecularly imprinted polymeric membranes were prepared using vanillin as template molecule. The microscopic structure of the resultant polymeric membranes was characterized by SEM and FTIR spectroscopy, and the selective binding properties and separation capacity of the membranes for vanillin and o-vanillin were tested with binding experiments and separate experiments, respectively. The results showed that the vanillin-imprinted polymeric membranes displayed higher bi...

Grafting of molecularly imprinted polymer to porous polyethylene filtration membranes by plasma polymerization.

Science.gov (United States)

Cowieson, D; Piletska, E; Moczko, E; Piletsky, S

2013-08-01

An application of plasma-induced grafting of polyethylene membranes with a thin layer of molecularly imprinted polymer (MIP) was presented. High-density polyethylene (HDPE) membranes, "Vyon," were used as a substrate for plasma grafting modification. The herbicide atrazine, one of the most popular targets of the molecular imprinting, was chosen as a template. The parameters of the plasma treatment were optimized in order to achieve a good balance between polymerization and ablation processes. Modified HDPE membranes were characterized, and the presence of the grafted polymeric layer was confirmed based on the observed weight gain, pore size measurements, and infrared spectrometry. Since there was no significant change in the porosity of the modified membranes, it was assumed that only a thin layer of the polymer was introduced on the surface. The experiments on the re-binding of the template atrazine to the membranes modified with MIP and blank polymers were performed. HDPE membranes which were grafted with polymer using continuous plasma polymerization demonstrated the best result which was expressed in an imprinted factor equal to 3, suggesting that molecular imprinting was successfully achieved.

A functional monomer is not enough: principal component analysis of the influence of template complexation in pre-polymerization mixtures on imprinted polymer recognition and morphology.

Science.gov (United States)

Golker, Kerstin; Karlsson, Björn C G; Rosengren, Annika M; Nicholls, Ian A

2014-11-10

In this report, principal component analysis (PCA) has been used to explore the influence of template complexation in the pre-polymerization phase on template molecularly imprinted polymer (MIP) recognition and polymer morphology. A series of 16 bupivacaine MIPs were studied. The ethylene glycol dimethacrylate (EGDMA)-crosslinked polymers had either methacrylic acid (MAA) or methyl methacrylate (MMA) as the functional monomer, and the stoichiometry between template, functional monomer and crosslinker was varied. The polymers were characterized using radioligand equilibrium binding experiments, gas sorption measurements, swelling studies and data extracted from molecular dynamics (MD) simulations of all-component pre-polymerization mixtures. The molar fraction of the functional monomer in the MAA-polymers contributed to describing both the binding, surface area and pore volume. Interestingly, weak positive correlations between the swelling behavior and the rebinding characteristics of the MAA-MIPs were exposed. Polymers prepared with MMA as a functional monomer and a polymer prepared with only EGDMA were found to share the same characteristics, such as poor rebinding capacities, as well as similar surface area and pore volume, independent of the molar fraction MMA used in synthesis. The use of PCA for interpreting relationships between MD-derived descriptions of events in the pre-polymerization mixture, recognition properties and morphologies of the corresponding polymers illustrates the potential of PCA as a tool for better understanding these complex materials and for their rational design.

Influence of disintegrants in different substrate physical form on dimensional recovery of multi-component tablet.

Science.gov (United States)

Sarkar, Srimanta; Ooi, Shing Ming; Liew, Celine Valeria; Tan, Bing Xun; Heng, Paul Wan Sia

2014-11-20

This study investigated the influence of different disintegrants, present in different substrate physical forms, on dimensional recovery of multi-component tablets prepared at different compression pressures. Formulations containing model drug, metformin, (10%, w/w), different disintegrants (10%, w/w), and lactose (80%, w/w) were compressed directly or after granulation using polyvinyl pyrrolidone (1%, w/w) as binder, into tablets (350 mg, 10mm diameter) at 150, 200, and 250 N/mm(2) compression pressures. Tablets were characterized for immediate dimensional recovery (IR) after ejection from the die, latent dimensional recovery (LR) over 24 h, tensile strength, and disintegration. The IR was predominantly contributed by crystalline components whereas LR was brought about by polymeric materials. With increased compression pressure, higher degree of plastic deformation of the polymeric disintegrants resulted in tablet with lower LR and higher tensile strength. Presence of polyvinyl pyrrolidone in the granules contributed considerably to plastic deformation, and the tablets produced had lower LR, higher tensile strength, and longer disintegration time. This study indicated that use of granules as the feed substrate physical form and a prudent selection of components may enable the coating of resultant tablets immediately after compression without the risk of coat damage due to LR. Copyright © 2014 Elsevier B.V. All rights reserved.

Multi-level predictive maintenance for multi-component systems

International Nuclear Information System (INIS)

Nguyen, Kim-Anh; Do, Phuc; Grall, Antoine

2015-01-01

In this paper, a novel predictive maintenance policy with multi-level decision-making is proposed for multi-component system with complex structure. The main idea is to propose a decision-making process considered on two levels: system level and component one. The goal of the decision rules at the system level is to address if preventive maintenance actions are needed regarding the predictive reliability of the system. At component level the decision rules aim at identifying optimally a group of several components to be preventively maintained when preventive maintenance is trigged due to the system level decision. Selecting optimal components is based on a cost-based group improvement factor taking into account the predictive reliability of the components, the economic dependencies as well as the location of the components in the system. Moreover, a cost model is developed to find the optimal maintenance decision variables. A 14-component system is finally introduced to illustrate the use and the performance of the proposed predictive maintenance policy. Different sensitivity analysis are also investigated and discussed. Indeed, the proposed policy provides more flexibility in maintenance decision-making for complex structure systems, hence leading to significant profits in terms of maintenance cost when compared with existing policies. - Highlights: • A predictive maintenance policy for complex structure systems is proposed. • Multi-level decision process based on prognostic results is proposed. • A cost-based group importance measure is introduced for decision-making. • Both positive and negative dependencies between components are investigated. • A cost model and Monte Carlo simulation are developed for optimization process.

Bonding and compressibility in molecular and polymeric phases of solid CO2

International Nuclear Information System (INIS)

Gracia, L; Marques, M; Beltran, A; Pendas, A Martin; Recio, J M

2004-01-01

We present the results of a theoretical study of the response of molecular CO 2 -I and CO 2 -III, and polymeric CO 2 -V polymorphs to hydrostatic pressure. Total energy calculations and geometry optimizations have been performed under the local density functional approximation combining a pseudopotential and planewave scheme as implemented in the VASP code. Using the atoms in molecules theory, the network of inter- and intra-molecular chemical bonds of the different phases are rigorously characterized in terms of the values of the electron density and the Laplacian at the bond critical points. The chemical graph of a hypothetical orthorhombic structure displays bonding features that are associated with a precursor geometry of polymeric carbon four-fold coordinated phases. In addition, the bulk compressibility is decomposed into atomic and molecular contributions with the aim of providing a better understanding of the reasons that explain the emergence of low compressible polymorphs at high pressures

Modeling of molecular weight and molecular weight distribution in slurry polymerization of propylene by Ziegler-Natta catalysts

International Nuclear Information System (INIS)

Khorasani, R.; Pourmahdian, S.

2007-01-01

The Precise prediction of polypropylene synthesized by heterogeneous Ziegler-Natta catalysts needs good knowledge of parameters affecting on polymerization. molecular weight and molecular weight distribution are among important characteristics of a polymer determining physical-mechanical properties. broadening of molecular weight distribution is an important and well known characteristic of polypropylene synthesized by heterogeneous Ziegler-Natta catalysts, So it is important to understand the origin of broad molecular weight. Two main factors in broadening molecular weight, namely mass transfer resistances and multiplicity of active sites, are discussed in this paper and a model including these factors is presented. Then we calculate molecular weight and molecular weight distribution by the model and compare our results with

Computational Design of Multi-component Bio-Inspired Bilayer Membranes

Directory of Open Access Journals (Sweden)

Evan Koufos

2014-04-01

Full Text Available Our investigation is motivated by the need to design bilayer membranes with tunable interfacial and mechanical properties for use in a range of applications, such as targeted drug delivery, sensing and imaging. We draw inspiration from biological cell membranes and focus on their principal constituents. In this paper, we present our results on the role of molecular architecture on the interfacial, structural and dynamical properties of bio-inspired membranes. We focus on four lipid architectures with variations in the head group shape and the hydrocarbon tail length. Each lipid species is composed of a hydrophilic head group and two hydrophobic tails. In addition, we study a model of the Cholesterol molecule to understand the interfacial properties of a bilayer membrane composed of rigid, single-tail molecular species. We demonstrate the properties of the bilayer membranes to be determined by the molecular architecture and rigidity of the constituent species. Finally, we demonstrate the formation of a stable mixed bilayer membrane composed of Cholesterol and one of the phospholipid species. Our approach can be adopted to design multi-component bilayer membranes with tunable interfacial and mechanical properties. We use a Molecular Dynamics-based mesoscopic simulation technique called Dissipative Particle Dynamics that resolves the molecular details of the components through soft-sphere coarse-grained models and reproduces the hydrodynamic behavior of the system over extended time scales.

A Functional Monomer Is Not Enough: Principal Component Analysis of the Influence of Template Complexation in Pre-Polymerization Mixtures on Imprinted Polymer Recognition and Morphology

Directory of Open Access Journals (Sweden)

Kerstin Golker

2014-11-01

Full Text Available In this report, principal component analysis (PCA has been used to explore the influence of template complexation in the pre-polymerization phase on template molecularly imprinted polymer (MIP recognition and polymer morphology. A series of 16 bupivacaine MIPs were studied. The ethylene glycol dimethacrylate (EGDMA-crosslinked polymers had either methacrylic acid (MAA or methyl methacrylate (MMA as the functional monomer, and the stoichiometry between template, functional monomer and crosslinker was varied. The polymers were characterized using radioligand equilibrium binding experiments, gas sorption measurements, swelling studies and data extracted from molecular dynamics (MD simulations of all-component pre-polymerization mixtures. The molar fraction of the functional monomer in the MAA-polymers contributed to describing both the binding, surface area and pore volume. Interestingly, weak positive correlations between the swelling behavior and the rebinding characteristics of the MAA-MIPs were exposed. Polymers prepared with MMA as a functional monomer and a polymer prepared with only EGDMA were found to share the same characteristics, such as poor rebinding capacities, as well as similar surface area and pore volume, independent of the molar fraction MMA used in synthesis. The use of PCA for interpreting relationships between MD-derived descriptions of events in the pre-polymerization mixture, recognition properties and morphologies of the corresponding polymers illustrates the potential of PCA as a tool for better understanding these complex materials and for their rational design.

Multi-component and multi-array TEM detection in karst tunnels

International Nuclear Information System (INIS)

Sun, Huaifeng; Li, Shucai; Su, Maoxin; Xue, Yiguo; Li, Xiu; Qi, Zhipeng

2012-01-01

Emerging applications of transient electromagnetic methods (TEM) in tunnelling require higher resolution on the distributions and shapes of low resistivity bodies, such as karst water and karst pipes, using multi-component and multi-array receivers. However, there are no apparent resistivity definitions for both vertical and horizontal components with offsets inside the loop. Although the raw field can show the differences of the earth electric structure, it is not straightforward. Apparent resistivity is very convenient and easy for engineers. We have developed a method for multi-component and multi-array TEM which can be applied in tunnelling and defined the expressions of apparent resistivity. This method takes advantage of the difference in resolution among components. A homogeneous half-space model and four typical three-layered models are used to test the effectiveness of the new definition. A field case history is carried out and analysed to demonstrate the viability of this technique. The results suggest that it is feasible to use the technique in tunnelling, especially for identifying the spatial distribution of karst water and karst pipes. (paper)

Generalized modeling of multi-component vaporization/condensation phenomena for multi-phase-flow analysis

International Nuclear Information System (INIS)

Morita, K.; Fukuda, K.; Tobita, Y.; Kondo, Sa.; Suzuki, T.; Maschek, W.

2003-01-01

A new multi-component vaporization/condensation (V/C) model was developed to provide a generalized model for safety analysis codes of liquid metal cooled reactors (LMRs). These codes simulate thermal-hydraulic phenomena of multi-phase, multi-component flows, which is essential to investigate core disruptive accidents of LMRs such as fast breeder reactors and accelerator driven systems. The developed model characterizes the V/C processes associated with phase transition by employing heat transfer and mass-diffusion limited models for analyses of relatively short-time-scale multi-phase, multi-component hydraulic problems, among which vaporization and condensation, or simultaneous heat and mass transfer, play an important role. The heat transfer limited model describes the non-equilibrium phase transition processes occurring at interfaces, while the mass-diffusion limited model is employed to represent effects of non-condensable gases and multi-component mixture on V/C processes. Verification of the model and method employed in the multi-component V/C model of a multi-phase flow code was performed successfully by analyzing a series of multi-bubble condensation experiments. The applicability of the model to the accident analysis of LMRs is also discussed by comparison between steam and metallic vapor systems. (orig.)

Exploring the molecular mechanisms of Traditional Chinese Medicine components using gene expression signatures and connectivity map.

Science.gov (United States)

Yoo, Minjae; Shin, Jimin; Kim, Hyunmin; Kim, Jihye; Kang, Jaewoo; Tan, Aik Choon

2018-04-04

Traditional Chinese Medicine (TCM) has been practiced over thousands of years in China and other Asian countries for treating various symptoms and diseases. However, the underlying molecular mechanisms of TCM are poorly understood, partly due to the "multi-component, multi-target" nature of TCM. To uncover the molecular mechanisms of TCM, we perform comprehensive gene expression analysis using connectivity map. We interrogated gene expression signatures obtained 102 TCM components using the next generation Connectivity Map (CMap) resource. We performed systematic data mining and analysis on the mechanism of action (MoA) of these TCM components based on the CMap results. We clustered the 102 TCM components into four groups based on their MoAs using next generation CMap resource. We performed gene set enrichment analysis on these components to provide additional supports for explaining these molecular mechanisms. We also provided literature evidence to validate the MoAs identified through this bioinformatics analysis. Finally, we developed the Traditional Chinese Medicine Drug Repurposing Hub (TCM Hub) - a connectivity map resource to facilitate the elucidation of TCM MoA for drug repurposing research. TCMHub is freely available in http://tanlab.ucdenver.edu/TCMHub. Molecular mechanisms of TCM could be uncovered by using gene expression signatures and connectivity map. Through this analysis, we identified many of the TCM components possess diverse MoAs, this may explain the applications of TCM in treating various symptoms and diseases. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

Studies on the immobilization of biofunctional components by radiation polymerization and their applications

International Nuclear Information System (INIS)

Kaetsu, I.; Kumakura, M.; Fujimura, T.; Yoshida, M.; Asano, M.; Kasai, N.; Tamada, M.

1986-01-01

The recent progress on the studies of immobilization of various biofunctional components mainly by means of radiation polymerization as well as their practical applications to biomedical and biochemical fields were reviewed. The immobilization of drugs for the controlled release and targetting, the immobilization of antigens and antibodies for the immunodiagnosis, and the immobilization of microorganisms and tissue cells for the cell culture and the biomass conversion were the main topics in this review. The new findings on the enhanced immobilization methods and the polymeric carriers for immobilization were also attached. (author)

Molecularly imprinted electrochemical sensing interface based on in-situ-polymerization of amino-functionalized ionic liquid for specific recognition of bovine serum albumin.

Science.gov (United States)

Wang, Yanying; Han, Miao; Liu, Guishen; Hou, Xiaodong; Huang, Yina; Wu, Kangbing; Li, Chunya

2015-12-15

A molecularly imprinted polymer film was in situ polymerized on a carboxyl functionalized multi-walled carbon nanotubes modified glassy carbon electrode surface under room temperature. This technique provides a promising imprinting approach for protein in an aqueous solution using 3-(3-aminopropyl)-1-vinylimidazolium tetrafluoroborate ionic liquid as functional monomer, N, N'-methylenebisacrylamide as crossing linker, ammonium persulfate and N,N,N',N'-tetramethylethylenediamine as initiator, and bovine serum albumin (BSA) as template. The molecularly imprinted polymerized ionic liquid film shows enhanced accessibility, high specificity and sensitivity towards BSA. Electrochemical sensing performance of the imprinted sensor was thoroughly investigated using K3Fe[CN]6/K4Fe[CN]6 as electroactive probes. Under optimal conditions, the current difference before and after specific recognition of BSA was found linearly related to its concentration in the range from 1.50×10(-9) to 1.50×10(-6) mol L(-1). The detection limit was calculated to be 3.91×10(-10) mol L(-1) (S/N=3). The practical application of the imprinted sensor was demonstrated by determining BSA in liquid milk samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Ring-Opening Polymerization of N-Carboxyanhydrides for Preparation of Polypeptides and Polypeptide-Based Hybrid Materials with Various Molecular Architectures

KAUST Repository

Pahovnik, David; Hadjichristidis, Nikolaos

2015-01-01

Different synthetic approaches utilizing ring-opening polymerization of N-carboxyanhydrides for preparation of polypeptide and polypeptide-based hybrid materials with various molecular architectures are described. An overview of polymerization

Emulsifier-free emulsion polymerization of tetrafluoroethylene by radiation. IV. Effects of additives on Polymer molecular weight

International Nuclear Information System (INIS)

Watanabe, T.; Suwa, T.; Okamoto, J.; Machi, S.

1979-01-01

Poly(tetrafluoroethylene)(PTFE) of high molecular weight, 4.5 x 10 7 , was incidentally obtained at earlier study of an emulsifier-free emulsion polymerization of tetrafluoroethylene by radiation. In order to clarify this phenomenon, the effects of additives, in particular radical scavengers, on the molecular weight of PTFE and its polymerization behavior were studied. It was found that the molecular weight of PTFE is increased by the addition of hydroquinone, benzoquinone, α-pinene, dl-limonene, and ethylenediamine but is decreased by oxygen and triethylamine. A PTFE latex with molecular weight higher than 2 x 10 7 was obtained in the presence of hydroquinone. It is concluded that additives such as hydroquinone and benzaquinone, which rapidly scavenge the primary radicals (OH, H, and e/sub aq/ - ) in the aqueous phase but not the growing polymer radicals in PTFE particles, are most effective in increasing the molecular weight

Applications of positron annihilation spectroscopy to polymeric and biological systems

International Nuclear Information System (INIS)

Jean, Y.C.; Chen, Hongmin; Liu, Guang; Chakka, Lakshmi; Gadzia, Joseph E.

2007-01-01

Positron annihilation spectroscopy (PAS) is a novel radio-analytical technique which uses the positron (anti-electron) and is capable of probing the atomic and molecular scale (0.2-2 nm) free-volume and hole properties in polymeric and biological materials. Recently, we developed positron annihilation lifetime and Doppler broadening of energy spectroscopies coupled with a variable mono-energetic positron beam to measure the free-volume depth profile from the surface, interfaces, and to the bulk. This paper presents applications of PAS to determine multi-layer structures, glass transition temperatures in nano-scale polymeric films and to detect cancer in the human skin. (author)

Self-Assembling Multi-Component Nanofibers for Strong Bioinspired Underwater Adhesives

Science.gov (United States)

Zhong, Chao; Gurry, Thomas; Cheng, Allen A; Downey, Jordan; Deng, Zhengtao; Stultz, Collin M.; Lu, Timothy K

2014-01-01

Many natural underwater adhesives harness hierarchically assembled amyloid nanostructures to achieve strong and robust interfacial adhesion under dynamic and turbulent environments. Despite recent advances, our understanding of the molecular design, self-assembly, and structure-function relationship of those natural amyloid fibers remains limited. Thus, designing biomimetic amyloid-based adhesives remains challenging. Here, we report strong and multi-functional underwater adhesives obtained from fusing mussel foot proteins (Mfps) of Mytilus galloprovincialis with CsgA proteins, the major subunit of Escherichia coli amyloid curli fibers. These hybrid molecular materials hierarchically self-assemble into higher-order structures, in which, according to molecular dynamics simulations, disordered adhesive Mfp domains are exposed on the exterior of amyloid cores formed by CsgA. Our fibers have an underwater adhesion energy approaching 20.9 mJ/m2, which is 1.5 times greater than the maximum of bio-inspired and bio-derived protein-based underwater adhesives reported thus far. Moreover, they outperform Mfps or curli fibers taken on their own at all pHs and exhibit better tolerance to auto-oxidation than Mfps at pH ≥7.0. This work establishes a platform for engineering multi-component self-assembling materials inspired by nature. PMID:25240674

Multi-component optical solitary waves

DEFF Research Database (Denmark)

Kivshar, Y. S.; Sukhorukov, A. A.; Ostrovskaya, E. A.

2000-01-01

We discuss several novel types of multi-component (temporal and spatial) envelope solitary waves that appear in fiber and waveguide nonlinear optics. In particular, we describe multi-channel solitary waves in bit-parallel-wavelength fiber transmission systems for highperformance computer networks......, multi-color parametric spatial solitary waves due to cascaded nonlinearities of quadratic materials, and quasiperiodic envelope solitons due to quasi-phase-matching in Fibonacci optical superlattices. (C) 2000 Elsevier Science B.V. All rights reserved....

Modal Identification in an Automotive Multi-Component System Using HS 3D-DIC

Directory of Open Access Journals (Sweden)

Ángel Jesús Molina-Viedma

2018-02-01

Full Text Available The modal characterization of automotive lighting systems becomes difficult using sensors due to the light weight of the elements which compose the component as well as the intricate access to allocate them. In experimental modal analysis, high speed 3D digital image correlation (HS 3D-DIC is attracting the attention since it provides full-field contactless measurements of 3D displacements as main advantage over other techniques. Different methodologies have been published that perform modal identification, i.e., natural frequencies, damping ratios, and mode shapes using the full-field information. In this work, experimental modal analysis has been performed in a multi-component automotive lighting system using HS 3D-DIC. Base motion excitation was applied to simulate operating conditions. A recently validated methodology has been employed for modal identification using transmissibility functions, i.e., the transfer functions from base motion tests. Results make it possible to identify local and global behavior of the different elements of injected polymeric and metallic materials.

Modal Identification in an Automotive Multi-Component System Using HS 3D-DIC.

Science.gov (United States)

Molina-Viedma, Ángel Jesús; López-Alba, Elías; Felipe-Sesé, Luis; Díaz, Francisco A

2018-02-05

The modal characterization of automotive lighting systems becomes difficult using sensors due to the light weight of the elements which compose the component as well as the intricate access to allocate them. In experimental modal analysis, high speed 3D digital image correlation (HS 3D-DIC) is attracting the attention since it provides full-field contactless measurements of 3D displacements as main advantage over other techniques. Different methodologies have been published that perform modal identification, i.e., natural frequencies, damping ratios, and mode shapes using the full-field information. In this work, experimental modal analysis has been performed in a multi-component automotive lighting system using HS 3D-DIC. Base motion excitation was applied to simulate operating conditions. A recently validated methodology has been employed for modal identification using transmissibility functions, i.e., the transfer functions from base motion tests. Results make it possible to identify local and global behavior of the different elements of injected polymeric and metallic materials.

Modal Identification in an Automotive Multi-Component System Using HS 3D-DIC

Science.gov (United States)

López-Alba, Elías; Felipe-Sesé, Luis; Díaz, Francisco A.

2018-01-01

The modal characterization of automotive lighting systems becomes difficult using sensors due to the light weight of the elements which compose the component as well as the intricate access to allocate them. In experimental modal analysis, high speed 3D digital image correlation (HS 3D-DIC) is attracting the attention since it provides full-field contactless measurements of 3D displacements as main advantage over other techniques. Different methodologies have been published that perform modal identification, i.e., natural frequencies, damping ratios, and mode shapes using the full-field information. In this work, experimental modal analysis has been performed in a multi-component automotive lighting system using HS 3D-DIC. Base motion excitation was applied to simulate operating conditions. A recently validated methodology has been employed for modal identification using transmissibility functions, i.e., the transfer functions from base motion tests. Results make it possible to identify local and global behavior of the different elements of injected polymeric and metallic materials. PMID:29401725

Light and redox switchable molecular components for molecular electronics.

Science.gov (United States)

Browne, Wesley R; Feringa, Ben L

2010-01-01

The field of molecular and organic electronics has seen rapid progress in recent years, developing from concept and design to actual demonstration devices in which both single molecules and self-assembled monolayers are employed as light-responsive components. Research in this field has seen numerous unexpected challenges that have slowed progress and the initial promise of complex molecular-based computers has not yet been realised. Primarily this has been due to the realisation at an early stage that molecular-based nano-electronics brings with it the interface between the hard (semiconductor) and soft (molecular) worlds and the challenges which accompany working in such an environment. Issues such as addressability, cross-talk, molecular stability and perturbation of molecular properties (e.g., inhibition of photochemistry) have nevertheless driven development in molecular design and synthesis as well as our ability to interface molecular components with bulk metal contacts to a very high level of sophistication. Numerous groups have played key roles in progressing this field not least teams such as those led by Whitesides, Aviram, Ratner, Stoddart and Heath. In this short review we will however focus on the contributions from our own group and those of our collaborators, in employing diarylethene based molecular components.

Bonding and structure in dense multi-component molecular mixtures.

Science.gov (United States)

Meyer, Edmund R; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D; Collins, Lee A

2015-10-28

We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10,000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systems engendered by variations in the concentration ratios. A basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.

Ring-opening polymerization of 19-electron [2]cobaltocenophanes: a route to high-molecular-weight, water-soluble polycobaltocenium polyelectrolytes.

Science.gov (United States)

Mayer, Ulrich F J; Gilroy, Joe B; O'Hare, Dermot; Manners, Ian

2009-08-05

Water-soluble, high-molecular-weight polycobaltocenium polyelectrolytes have been prepared by ring-opening polymerization (ROP) techniques. Anionic polymerization of a strained 19-electron dicarba[2]cobaltocenophane followed by oxidation in the presence of ammonium chloride resulted in the formation of oligomers with up to nine repeat units. Thermal ROP of dicarba[2]cobaltocenophane followed by oxidation in the presence of ammonium nitrate resulted in the formation of high-molecular-weight polycobaltocenium nitrate, a redox-active cobalt-containing polyelectrolyte.

Multi-target molecular imaging and its progress in research and application

International Nuclear Information System (INIS)

Tang Ganghua

2011-01-01

Multi-target molecular imaging (MMI) is an important field of research in molecular imaging. It includes multi-tracer multi-target molecular imaging(MTMI), fusion-molecule multi-target imaging (FMMI), coupling-molecule multi-target imaging (CMMI), and multi-target multifunctional molecular imaging(MMMI). In this paper,imaging modes of MMI are reviewed, and potential applications of positron emission tomography MMI in near future are discussed. (author)

Inflation and Instability of a Polymeric Membrane

DEFF Research Database (Denmark)

Neergaard, Jesper; Hassager, Ole

1999-01-01

We consider an axisymmetric polymeric membrane inflated by a uniform pressure difference acting across the membrane. The polymeric materialis described by an arbitrary combination of a viscoelastic and a purely viscous component to the stress. Some viscoelastic materials described by a Mooney......-Rivlin model show a monotone increasingpressure during inflation of a spherical membrane. These materials develop a homogeneous membrane thickness in agreement with the Considere-Pearson condition. Molecularly based models such as the neo-Hookean, Doi-Edwards or Tom-Pom model show a pressure maximum when...... inflated. Membranesdescribed by these models develop a local thinning of the membrane which may lead to bursting in finite time....

Meredys, a multi-compartment reaction-diffusion simulator using multistate realistic molecular complexes

Directory of Open Access Journals (Sweden)

Le Novère Nicolas

2010-03-01

Full Text Available Abstract Background Most cellular signal transduction mechanisms depend on a few molecular partners whose roles depend on their position and movement in relation to the input signal. This movement can follow various rules and take place in different compartments. Additionally, the molecules can form transient complexes. Complexation and signal transduction depend on the specific states partners and complexes adopt. Several spatial simulator have been developed to date, but none are able to model reaction-diffusion of realistic multi-state transient complexes. Results Meredys allows for the simulation of multi-component, multi-feature state molecular species in two and three dimensions. Several compartments can be defined with different diffusion and boundary properties. The software employs a Brownian dynamics engine to simulate reaction-diffusion systems at the reactive particle level, based on compartment properties, complex structure, and hydro-dynamic radii. Zeroth-, first-, and second order reactions are supported. The molecular complexes have realistic geometries. Reactive species can contain user-defined feature states which can modify reaction rates and outcome. Models are defined in a versatile NeuroML input file. The simulation volume can be split in subvolumes to speed up run-time. Conclusions Meredys provides a powerful and versatile way to run accurate simulations of molecular and sub-cellular systems, that complement existing multi-agent simulation systems. Meredys is a Free Software and the source code is available at http://meredys.sourceforge.net/.

A fluorescent molecular sensor for pH windows in traditional and polymeric biocompatible micelles: comicellization of anionic species to shift and reshape the ON window.

Science.gov (United States)

Cavallaro, Gennara; Giammona, Gaetano; Pasotti, Luca; Pallavicini, Piersandro

2011-09-12

A new approach is presented to obtain fluorescent sensors for pH windows that work in water and under biomimetic conditions. A single molecule that features all-covalently linked components is used, thus making it capable of working as a fluorescent sensor with an OFF/ON/OFF response to pH value. The components are a tertiary amine, a pyridine, and a fluorophore (pyrene). The forms with both protonated bases or both neutral bases quench the pyrene fluorescence, whereas the form with the neutral pyridine and protonated amine groups is fluorescent. The molecular sensor is also equipped with a long alkyl chain to make it highly hydrophobic in all its protonated and unprotonated forms, that is, either when neutral or charged. Accordingly, it can be confined at any pH value either in traditional (i.e., low-molecular-weight) nonionic surfactant micelles or inside polymeric, biocompatible micellar containers. Relevant for future applications in vivo, thanks to its strong hydrophobicity, no leakage of the molecular sensor is observed from the polymeric biocompatible micelles. Due to the proximity of the pyridine and amine functions in the molecular structure and the poor hydration inside the micelles, the observed pK(a) values are low so that the ON window is positioned at very low pH values. However, the window can be shifted to biologically relevant values by comicellization of anionic species. In particular, in the micelles of the nonionic surfactant TritonX-100, a shift of the ON window to pH 4-6 is obtained by addition of the anionic sodium dodecyl sulphate surfactant, whose negative charge promotes the stability of the protonated forms of the pyridine and amine fragments. In the case of the polymeric micelles, we introduce the use of the amphiphilic polystyrene sulfonate anionic polyelectrolyte, the comicellization of which induces a shift and sharpening of the ON window that is centered at pH 4. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecularly thin fluoro-polymeric nanolubricant films: tribology, rheology, morphology, and applications.

Science.gov (United States)

Chung, Pil Seung; Jhon, Myung S; Choi, Hyoung Jin

2016-03-21

Molecularly thin perfluoropolyether (PFPE) has been used extensively as a high-performance lubricant in various applications and, more importantly, on carbon overcoats to enhance the reliability and lubrication of micro-/nanoelectro-mechanical systems, where the tribological performance caused by its molecular architecture is a critical issue, as are its physical properties and rheological characteristics. This Highlight addresses recent trends in the development of fluoro-polymeric lubricant films with regard to their tribology, rheology, and physio-chemical properties as they relate to heat-assisted magnetic recording. Nanorheology has been employed to examine the dynamic response of nonfunctional and functional PFPEs, while the viscoelastic properties of nanoscale PFPE films and the relaxation processes as a function of molecular structure and end-group functionality were analyzed experimentally; furthermore, the characteristics of binary blends were reported.

The multi-component WKI hierarchy

International Nuclear Information System (INIS)

Yao Yuqin; Zhang Yufeng

2005-01-01

Firstly a new loop algebra G∼ M with 3M dimensions is constructed, which is devoted to establishing a new isospectral problem. Then the multi-component WKI hierarchy of soliton equations is obtained

Surface properties of poly(acrylonitrile) (PAN) precipitation polymerized in supercritical CO2 and the influence of the molecular weight.

Science.gov (United States)

Shen, Qing; Gu, Qing-Feng; Hu, Jian-Feng; Teng, Xin-Rong; Zhu, Yun-Feng

2003-11-15

In this paper, the surface properties, e.g., the total surface free energy and the related Lifshitz-van der Waals and Lewis acid-base components, of polyacrylonitrile (PAN) precipitation polymerized in supercritical CO(2) have been characterized. Moreover, the influence of molecular weight varying has been also investigated. Results show that the surface properties of PAN resulting from supercritical CO(2) are different from those obtained by the conventional method. Of these data, one important finding is that the supercritical CO(2) PAN seems to decrease the surface free energy with the increased molecular weight. Based on previous recorded NMR spectra of this PAN and especially compared to commercial PAN, such phenomena are discussed and ascribed to an increase of the H-bonds and a reduction of the isotacticity in the supercritical CO(2) condition for PAN.

Deposition of a thin electro-polymerized organic film on iron surface

International Nuclear Information System (INIS)

Lecayon, Gerard

1980-01-01

We use an electrochemical method to prepare a polymerized thin film, obtained from acrylonitrile in a solution of acetonitrile and tetraethylammonium perchlorate. The films are deposited on oxidized iron electrodes, with a surface area varying from a few mm to several cm, their thickness ranges from ten A to thousand A. This result is obtained by controlling the evolution of reactions: duplication, hydrogenation, polymerization which occur during the electrochemical reduction of acrylonitrile. The choice of suitable experimental conditions enhances the polymerization and increases the adherence of the polymer on the electrode. The usual methods of surface studies: S.E.M., A.E.S., S.I.M.S., permit the characterization of the electrode surface and the chemical composition of the deposit films. The molecular structure of polymer, and its evolution under aging or heating was studied by infrared multi-reflection spectroscopy. Very good correlation exists between the electrochemical characteristic: I = f(t), the initial surface state of the electrodes, and the homogeneity of the electro-polymerized films. Diagrams corresponding to mechanisms of different stages of electro-polymerization are proposed. (author) [fr

Coarse-grained molecular dynamics simulations of polymerization with forward and backward reactions.

Science.gov (United States)

Krajniak, Jakub; Zhang, Zidan; Pandiyan, Sudharsan; Nies, Eric; Samaey, Giovanni

2018-06-11

We develop novel parallel algorithms that allow molecular dynamics simulations in which byproduct molecules are created and removed because of the chemical reactions during the molecular dynamics simulation. To prevent large increases in the potential energy, we introduce the byproduct molecules smoothly by changing the non-bonded interactions gradually. To simulate complete equilibrium reactions, we allow the byproduct molecules attack and destroy created bonds. Modeling of such reactions are, for instance, important to study the pore formation due to the presence of e.g. water molecules or development of polymer morphology during the process of splitting off byproduct molecules. Another concept that could be studied is the degradation of polymeric materials, a very important topic in a recycling of polymer waste. We illustrate the method by simulating the polymerization of polyethylene terephthalate (PET) at the coarse-grained level as an example of a polycondensation reaction with water as a byproduct. The algorithms are implemented in a publicly available software package and are easily accessible using a domain-specific language that describes chemical reactions in an input configuration file. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Inflation and Instability of a Polymeric Membrane

DEFF Research Database (Denmark)

Hassager, Ole; Kristensen, Susanne Brogaard; Larsen, Johannes Ruben

1999-01-01

We consider an axisymmetric polymeric membrane inflated by a uniform pressure difference acting across the membrane. The polymeric material is described by an arbitrary combination of a viscoelastic and a purely viscous component to the stress. Some viscoelastic materials described by a Mooney......-Rivlin model show a monotone increasing pressure during inflation of a spherical membrane. These materials develop a homogeneous membrane thickness in agreement with the Considere-Pearson condition. Molecularly based models such as the neo-Hookean, Doi-Edwards or Tom-Pom model show a pressure maximum when...... inflated. Membranes described by these models develop a local thinning of the membrane which may lead to bursting in finite time. (C) 1999 Elsevier Science B.V. All rights reserved....

Aerolization During Boron Nanoparticle Multi-Component Fuel Group Burning Studies

Science.gov (United States)

2014-02-03

overall energy density of the multi-component fuel mixture. Boron nanoparticle- doped multi-component hydrocarbon fuels represent a potential high...addressed, Boron nanoparticle- doped multi-component hydrocarbon fuels represent a potential high-efficiency, tactical fuel that could increase thrust...and micron-sized aluminum particles. Combustion and Flame 158(2): 354-368. Gan, Y., Y. S. Lim, and L. Qiao. 2012. Combustion of nanofluid fuels

In situ synthesis of molecularly imprinted nanoparticles in porous support membranes using high-viscosity polymerization solvents.

Science.gov (United States)

Renkecz, Tibor; László, Krisztina; Horváth, Viola

2012-06-01

There is a growing need in membrane separations for novel membrane materials providing selective retention. Molecularly imprinted polymers (MIPs) are promising candidates for membrane functionalization. In this work, a novel approach is described to prepare composite membrane adsorbers incorporating molecularly imprinted microparticles or nanoparticles into commercially available macroporous filtration membranes. The polymerization is carried out in highly viscous polymerization solvents, and the particles are formed in situ in the pores of the support membrane. MIP particle composite membranes selective for terbutylazine were prepared and characterized by scanning electron microscopy and N₂ porosimetry. By varying the polymerization solvent microparticles or nanoparticles with diameters ranging from several hundred nanometers to 1 µm could be embedded into the support. The permeability of the membranes was in the range of 1000 to 20,000 Lm⁻²  hr⁻¹  bar⁻¹. The imprinted composite membranes showed high MIP/NIP (nonimprinted polymer) selectivity for the template in organic media both in equilibrium-rebinding measurements and in filtration experiments. The solid phase extraction of a mixture of the template, its analogs, and a nonrelated compound demonstrated MIP/NIP selectivity and substance selectivity of the new molecularly imprinted membrane. The synthesis technique offers a potential for the cost-effective production of selective membrane adsorbers with high capacity and high throughput. Copyright © 2012 John Wiley & Sons, Ltd.

Design, Fabrication and Computational Characterization of a 3D Micro-Valve Built by Multi-Photon Polymerization

Directory of Open Access Journals (Sweden)

Stratos Galanopoulos

2014-08-01

Full Text Available We report on the design, modeling and fabrication by multi-photon polymerization of a complex medical fluidic device. The physical dimensions of the built micro-valve prototype are compared to those of its computer-designed model. Important fabrication issues such as achieving high dimensional resolution and ability to control distortion due to shrinkage are presented and discussed. The operational performance of both multi-photon and CAD-created models under steady blood flow conditions was evaluated and compared through computational fluid dynamics analysis.

Ring-Opening Polymerization of N-Carboxyanhydrides for Preparation of Polypeptides and Polypeptide-Based Hybrid Materials with Various Molecular Architectures

KAUST Repository

Pahovnik, David

2015-09-01

Different synthetic approaches utilizing ring-opening polymerization of N-carboxyanhydrides for preparation of polypeptide and polypeptide-based hybrid materials with various molecular architectures are described. An overview of polymerization mechanisms using conventional (various amines) as well as some recently developed initiators (hexamethyldisilazane, N-heterocyclic persistent carbenes, etc.) is presented, and their benefits and drawbacks for preparation of polypeptides with well-defined chain lengths and chain-end functionality are discussed. Recent examples from literature are used to illustrate different possibilities for synthesis of pure polypeptide materials with different molecular architectures bearing various functional groups, which are introduced either by modification of amino acids, before they are transformed into corresponding Ncarboxyanhydrides, or by post-polymerization modifications using protective groups and/or orthogonal functional groups. Different approaches for preparation of polypeptide-based hybrid materials are discussed as well using examples from recent literature. Syntheses of simple block copolymers or copolymers with more complex molecular architectures (graft and star copolymers) as well as modifications of nanoparticles and other surfaces with polypeptides are described.

Effect of Molecular Weight and Molar Ratio of Dextran on Self-Assembly of Dextran Stearate Polymeric Micelles as Nanocarriers for Etoposide

Directory of Open Access Journals (Sweden)

Jaleh Varshosaz

2012-01-01

Full Text Available Amphiphilic polymer surfactants are composed of hydrophilic and hydrophobic polymers and are widely used in targeted drug delivery. The purpose of this study was the evaluation of the effect of molecular weight and molar ratio of dextran on physicochemical properties of dextran stearate polymeric micelles. Dextran stearate was synthesized by acylation of dextran with stearoyl chloride. Etoposide loaded polymeric micelles were prepared by dialysis method. The resulting micelles were evaluated for particle size, zeta potential, critical micelle concentration (CMC, drug loading capacity, and release efficiency. Cytotoxicity and cellular uptake of micelles were studied in CT-26 colorectal carcinoma cell line. Molecular weight and molar ratio of dextran-stearate were impressive on zeta potential, CMC, drug loading capacity, and release efficiency. Unlike polymer molecular weight, molar ratio of stearate had a significant effect on cytotoxicity and particle size of etoposide loaded micelles. Although molecular weight of dextran had no significant effect on cytotoxicity of micelles on CT-26 cells, it had drastic attributes for stability of polymeric micelles. Consequently, both variables of molecular weight of dextran and molar ratio of stearate should be taken into account to have a stable and effective micelle of dextran-stearate.

Chitin nanofiber elucidates the elicitor activity of polymeric chitin in plants

Directory of Open Access Journals (Sweden)

Mayumi eEgusa

2015-12-01

Full Text Available Chitin, an N-acetyl-D-glucosamine polymer, is a component of fungal cell walls and a microbe/pathogen-associated molecular pattern that elicits plant defense responses. As polymeric chitin is difficult to handle due to its insolubility in water, many studies on chitin-induced immune responses have used water-soluble low-molecular weight chitin instead. Thus, it is unclear if polymeric chitin can induce resistance. Here, we examined the elicitor activity of chitin nanofiber (CNF of submicron thickness prepared from polymeric chitin. CNF showed a high dispersing ability in water and induced both reactive oxygen species (ROS production and chitin-induced defense-related gene expression in Arabidopsis thaliana seedlings. The Arabidopsis chitin elicitor receptor kinase 1 (Atcerk1 mutant, which is impaired in chitin perception, also failed to respond to CNF. CNF exposure triggered ROS generation in suspension-cultured cells from Oryza sativa. Furthermore, pre-treatment of Arabidopsis leaves with CNF effectively reduced pathogen infection by both the fungus Alternaria brassicicola and the bacterium Pseudomonas syringae pv. tomato DC3000. These results demonstrate that CNF has elicitor activity and will help define the role of polymeric chitin in plant immune responses.

Calculation and experimental investigation of multi-component ceramic systems

International Nuclear Information System (INIS)

Rother, M.

1994-12-01

This work shows a way to combine thermodynamic calculations and experiments in order to get useful information on the constitution of metal/non-metal systems. Many data from literature are critically evaluated and used as a basis for experiments and calculations. The following multi-component systems are treated: 1. Multi-component systems of 'ceramic' materials with partially metallic bonding (carbides, nitrides, oxides, borides, carbonitrides, borocarbides, oxinitrides of the 4-8th transition group metals) 2. multi-component systems of non-metallic materials with dominant covalent bonding (SiC, Si 3 N 4 , SiB 6 , BN, Al 4 C 3 , Be 2 C) 3. multi-component systems of non-metallic materials with dominant heteropolar bonding (Al 2 O 3 , TiO 2 , BeO, SiO 2 , ZrO 2 ). The interactions between 1. and 2., 2. and 3., 1. and 3. are also considered. The latest commercially available programmes for the calculation of thermodynamical equilibria and phase diagrams are evaluated and compared considering their facilities and limits. New phase diagrams are presented for many presently unknown multi-component systems; partly known systems are completed on the basis of selected thermodynamic data. The calculations are verified by experimental investigations (metallurgical and powder technology methods). Altogether 690 systems are evaluated, 126 are calculated for the first time and 52 systems are experimentally verified. New data for 60 ternary phases are elaborated by estimating the data limits for the Gibbs energy values. A synthesis of critical evaluation of literature, calculations and experiments leads to new important information about equilibria and reaction behaviour in multi-component systems. This information is necessary to develop new stable and metastable materials. (orig./MM) [de

Graphene nanoribbons synthesized from molecular precursor polymerization on Au(110)

Energy Technology Data Exchange (ETDEWEB)

Massimi, Lorenzo; Ourdjini, Oualid; Della Pia, Ada; Mariani, Carlo; Betti, Maria Grazia [Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale Aldo Moro 2, I - 00185 Roma (Italy); Cavaliere, Emanuele; Gavioli, Luca [i-LAMP & Dipartimento di Matematica e Fisica, Università Cattolica, 25121 Brescia (Italy)

2015-06-23

A spectroscopic study of 10,10-dibromo-9,9 bianthracene (DBBA) molecules deposited on the Au(110) surface is presented, by means of ultraviolet and X-ray photoemission, and X-ray absorption spectroscopy. Through a thermally activated procedure, these molecular precursors polymerize and eventually form graphene nanoribbons (GNRs) with atomically controlled shape and width, very important building blocks for several technological applications. The GNRs observed by scanning tunneling microscopy (STM) appear as short segments on top of the gold surface reconstruction, pointing out the delicate balance among surface diffusion and surface corrugation in their synthesis on the Au(110) surface.

Molecular transport network security using multi-wavelength optical spins.

Science.gov (United States)

Tunsiri, Surachai; Thammawongsa, Nopparat; Mitatha, Somsak; Yupapin, Preecha P

2016-01-01

Multi-wavelength generation system using an optical spin within the modified add-drop optical filter known as a PANDA ring resonator for molecular transport network security is proposed. By using the dark-bright soliton pair control, the optical capsules can be constructed and applied to securely transport the trapped molecules within the network. The advantage is that the dark and bright soliton pair (components) can securely propagate for long distance without electromagnetic interference. In operation, the optical intensity from PANDA ring resonator is fed into gold nano-antenna, where the surface plasmon oscillation between soliton pair and metallic waveguide is established.

Comparison of molecular imprinted particles prepared using precipitation polymerization in water and chloroform for fluorescent detection of nitroaromatics

Energy Technology Data Exchange (ETDEWEB)

Stringer, R. Cody, E-mail: rcsm84@mail.mizzou.edu [Department of Biological Engineering, University of Missouri, Columbia, MO (United States); Gangopadhyay, Shubhra, E-mail: gangopadhyays@missouri.edu [Department of Electrical and Computer Engineering, University of Missouri, Columbia, MO (United States); Grant, Sheila A., E-mail: grantsa@missouri.edu [Department of Biological Engineering, University of Missouri, Columbia, MO (United States)

2011-10-10

Highlights: {yields} Imprinted polymers prepared using precipitation polymerization. {yields} Comparison of chloroform and water as polymerization solvent. {yields} Imprinted polymer doped with quantum dots for fluorescent sensor. {yields} Fluorescent imprinted polymer used to detect nitroaromatic explosives. {yields} Chloroform is ideal solvent for molecular imprinting of nitroaromatics. - Abstract: A comparative study was conducted to study the effects that two different polymerization solvents would have on the properties of imprinted polymer microparticles prepared using precipitation polymerization. Microparticles prepared in chloroform, which previous results indicated was the optimal solvent for molecular imprinting of nitroaromatic explosive compounds, were compared to water, which was hypothesized to decrease water swelling of the polymer and allow enhanced rebinding of aqueous template. The microparticles were characterized and were integrated into a fluorescence sensing mechanism for detection of nitroaromatic explosive compounds. The performance of the sensing mechanisms was compared to illustrate which polymerization solvent produced optimal imprinted polymer microparticles for detection of nitroaromatic molecules. Results indicated that the structures of microparticles synthesized in chloroform versus water varied greatly. Sensor performance studies showed that the microparticles prepared in chloroform had greater imprinting efficiency and higher template rebinding than those prepared in water. For detection of 2,4,6-trinitrotoluene, the chloroform-based fluorescent microparticles achieved a lower limit of detection of 0.1 {mu}M, as compared to 100 {mu}M for the water-based fluorescent microparticles. Detection limits for 2,4-dinitrotoluene, as well as time response studies, also demonstrated that the chloroform-based particles are more effective for detection of nitroaromatic compounds than water-based particles. These results illustrate that the

Comparison of molecular imprinted particles prepared using precipitation polymerization in water and chloroform for fluorescent detection of nitroaromatics

International Nuclear Information System (INIS)

Stringer, R. Cody; Gangopadhyay, Shubhra; Grant, Sheila A.

2011-01-01

Highlights: → Imprinted polymers prepared using precipitation polymerization. → Comparison of chloroform and water as polymerization solvent. → Imprinted polymer doped with quantum dots for fluorescent sensor. → Fluorescent imprinted polymer used to detect nitroaromatic explosives. → Chloroform is ideal solvent for molecular imprinting of nitroaromatics. - Abstract: A comparative study was conducted to study the effects that two different polymerization solvents would have on the properties of imprinted polymer microparticles prepared using precipitation polymerization. Microparticles prepared in chloroform, which previous results indicated was the optimal solvent for molecular imprinting of nitroaromatic explosive compounds, were compared to water, which was hypothesized to decrease water swelling of the polymer and allow enhanced rebinding of aqueous template. The microparticles were characterized and were integrated into a fluorescence sensing mechanism for detection of nitroaromatic explosive compounds. The performance of the sensing mechanisms was compared to illustrate which polymerization solvent produced optimal imprinted polymer microparticles for detection of nitroaromatic molecules. Results indicated that the structures of microparticles synthesized in chloroform versus water varied greatly. Sensor performance studies showed that the microparticles prepared in chloroform had greater imprinting efficiency and higher template rebinding than those prepared in water. For detection of 2,4,6-trinitrotoluene, the chloroform-based fluorescent microparticles achieved a lower limit of detection of 0.1 μM, as compared to 100 μM for the water-based fluorescent microparticles. Detection limits for 2,4-dinitrotoluene, as well as time response studies, also demonstrated that the chloroform-based particles are more effective for detection of nitroaromatic compounds than water-based particles. These results illustrate that the enhanced chemical properties of

Well-defined polyethylene molecular brushes by polyhomologation and ring opening metathesis polymerization

KAUST Repository

Zhang, Hefeng; Gnanou, Yves; Hadjichristidis, Nikolaos

2014-01-01

A novel strategy using polyhomologation and ring opening metathesis polymerization (ROMP) has been developed for the synthesis of well-defined polyethylene (PE) molecular brushes. Polyhomologation was used to afford an OH-terminated PE, which after transformation to the norbornyl PE macromonomer was subjected to ROMP. Kinetics of ROMP of the PE macromonomer was studied by in situ1H NMR monitoring. The brush structure was proved from HT-GPC, 1H NMR and DSC results.

Estrogen Regulates Protein Synthesis and Actin Polymerization in Hippocampal Neurons through Different Molecular Mechanisms

Science.gov (United States)

Briz, Victor; Baudry, Michel

2014-01-01

Estrogen rapidly modulates hippocampal synaptic plasticity by activating selective membrane-associated receptors. Reorganization of the actin cytoskeleton and stimulation of mammalian target of rapamycin (mTOR)-mediated protein synthesis are two major events required for the consolidation of hippocampal long-term potentiation and memory. Estradiol regulates synaptic plasticity by interacting with both processes, but the underlying molecular mechanisms are not yet fully understood. Here, we used acute rat hippocampal slices to analyze the mechanisms underlying rapid changes in mTOR activity and actin polymerization elicited by estradiol. Estradiol-induced mTOR phosphorylation was preceded by rapid and transient activation of both extracellular signal-regulated kinase (ERK) and protein kinase B (Akt) and by phosphatase and tensin homolog (PTEN) degradation. These effects were prevented by calpain and ERK inhibitors. Estradiol-induced mTOR stimulation did not require activation of classical estrogen receptors (ER), as specific ERα and ERβ agonists (PPT and DPN, respectively) failed to mimic this effect, and ER antagonists could not block it. Estradiol rapidly activated both RhoA and p21-activated kinase (PAK). Furthermore, a specific inhibitor of RhoA kinase (ROCK), H1152, and a potent and specific PAK inhibitor, PF-3758309, blocked estradiol-induced cofilin phosphorylation and actin polymerization. ER antagonists also blocked these effects of estrogen. Consistently, both PPT and DPN stimulated PAK and cofilin phosphorylation as well as actin polymerization. Finally, the effects of estradiol on actin polymerization were insensitive to protein synthesis inhibitors, but its stimulation of mTOR activity was impaired by latrunculin A, a drug that disrupts actin filaments. Taken together, our results indicate that estradiol regulates local protein synthesis and cytoskeletal reorganization via different molecular mechanisms and signaling pathways. PMID:24611062

Mechanochemical Ring-Opening Polymerization of Lactide: Liquid-Assisted Grinding for the Green Synthesis of Poly(lactic acid) with High Molecular Weight.

Science.gov (United States)

Ohn, Nuri; Shin, Jihoon; Kim, Sung Sik; Kim, Jeung Gon

2017-09-22

Mechanochemical polymerization of lactide is carried out by using ball milling. Mechanical energy from collisions between the balls and the vessel efficiently promotes an organic-base-mediated metal- and solvent-free solid-state polymerization. Investigation of the parameters of the ball-milling synthesis revealed that the degree of lactide ring-opening polymerization could be modulated by the ball-milling time, vibration frequency, mass of the ball media, and liquid-assisted grinding. Liquid-assisted grinding was found to be an especially important factor for achieving a high degree of mechanochemical polymerization. Although polymer-chain scission from the strong collision energy prevented mechanical-force-driven high-molecular-weight polymer synthesis, the addition of only a small amount of liquid enabled sufficient energy dissipation and poly(lactic acid) was thereby obtained with a molecular weight of over 1×10 5  g mol -1 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The competing effects of microbially derived polymeric and low molecular-weight substances on the dispersibility of CeO2 nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Nakano, Yuriko; Ochiai, Asumi; Kawamoto, Keisuke; Takeda, Ayaka; Ichiyoshi, Kenta; Ohnuki, Toshihiko; Hochella, Michael F.; Utsunomiya, Satoshi

2018-02-26

To understand the competing effects of the components in extracellular substances (ES), polymeric substances (PS) and low-molecular-weight small substances (SS) <1 kDa derived from microorganisms, on the colloidal stability of cerium dioxide nanoparticles (CeNPs), we investigated their adsorption to sparingly soluble CeNPs at room temperature at pH 6.0. The ES was extracted from the fungus S. cerevisiae. The polypeptides and phosphates in all components preferentially adsorbed onto the CeNPs. The zeta potentials of ES + CeNPs, PS + CeNPs, and SS + CeNPs overlapped on the plot of PS itself, indicating the surface charge of the polymeric substances controls the zeta potentials. The sizes of the CeNP aggregates, 100–1300 nm, were constrained by the zeta potentials. The steric barrier derived from the polymers, even in SS, enhanced the CeNP dispersibility at pH 1.5–10. Consequently, the PS and SS had similar effects on modifying the CeNP surfaces. The adsorption of ES, which contains PS + SS, can suppress the aggregation of CeNPs over a wider pH range than that for PS only. The present study addresses the non-negligible effects of small-sized molecules derived from microbial activity on the migration of CeNP in aquatic environments, especially where bacterial consortia prevail.

Gamma-ray-induced polymerization of mixed liposomes consisting of 2,4-octadecadienoyl groups of phospholipids and unpolymerizable components

Energy Technology Data Exchange (ETDEWEB)

Akama, Kazuhiro; Awai, Kouji; Yano, Yoshihiro; Tokuyama, Satoru; Nakano, Yoshio [Tsukuba Research Laboratory, NOF Corporation, Tsukuba, Ibaraki (Japan); Hosoi, Fumio; Omichi, Hideki [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

2000-06-01

We studied the {gamma}-ray-induced polymerization of two mixed-liposome systems containing 1,2-bis-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine (DODPC) to clarify its mechanism; (a) containing DODPC and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), or DODPC/DPPC liposome, and (b) containing DODPC, DPPC, Cholesterol (Chol), and stearic acid (SA), or DODPC/DPPC/Chol/SA liposomes was carried out. For each system, various molar ratios of DODPC/DPPC were studied. For DODPC/DPPC/Chol/SA liposomes, the molar ratio of phospholipid/Chol/SA was 7/7/2. Liposomes were prepared by extrusion through a 0.2-{mu}m-pore polycarbonate filter and polymerized by {gamma}-irradiation at a dose rate of 3.3 kGy/h at 4degC. Polymerization rate increased when DODPC/DPPC was 5/5 in DODPC/DPPC liposomes and when it was 9/1, 8/2, 7/3, and 5/5 in DODPC/DPPC/Chol/SA liposomes. The degree of polymerization at molar ratio 5/5 for each mixed-liposome system significantly increased compared with that of DODPC liposomes containing no DPPC. For polymerized mixed liposomes stability, mean diameter after one freeze-thaw cycle remained unchanged for molar ratios from 10/0 to 8/2 of either DODPC/DPPC or DODPC/DPPC/Chol/SA liposomes. {gamma}-Ray-induced polymerization of each mixed-liposome system was analyzed using kinetic treatment of polymerization. Although the rate of polymerization for either systems differed from that of DODPC liposomes, the polymerization mechanism was the same. Immiscibility between DODPC and unpolymerizable components was estimated based on the kinetic data of polymerization. Hydrophobic interactions of DPPC and/or Chol with DODPC significantly affected the conformation of DODPC, which rearranges into an easily polymerizable conformation. The rate and degree of polymerization thus increased. (author)

EXCITATION CONDITIONS IN THE MULTI-COMPONENT SUBMILLIMETER GALAXY SMM J00266+1708

International Nuclear Information System (INIS)

Sharon, Chelsea E.; Baker, Andrew J.; Harris, Andrew I.; Tacconi, Linda J.; Lutz, Dieter; Longmore, Steven N.

2015-01-01

We present multiline CO observations of the complex submillimeter galaxy SMM J00266+1708. Using the Zpectrometer on the Green Bank Telescope, we provide the first precise spectroscopic measurement of its redshift (z = 2.742). Based on followup CO(1-0), CO(3-2), and CO(5-4) mapping, SMM J00266+1708 appears to have two distinct components separated by ∼500 km s –1 that are nearly coincident along our line of sight. The two components show hints of different kinematics, with the blueshifted component dispersion-dominated and the redshifted component showing a clear velocity gradient. CO line ratios differ slightly between the two components, indicating that the physical conditions in their molecular gas may not be alike. We tentatively infer that SMM J00266+1708 is an ongoing merger with a mass ratio of (7.8 ± 4.0)/sin 2 (i), with its overall size and surface brightness closely resembling that of other merging systems. We perform large velocity gradient modeling of the CO emission from both components and find that each component's properties are consistent with a single phase of molecular gas (i.e., a single temperatures and density); additional multi-phase modeling of the redshifted component, although motivated by a CO(1-0) size larger than the CO(3-2) size, is inconclusive. SMM J00266+1708 provides evidence of early stage mergers within the submillimeter galaxy population. Continuum observations of J00266 at the ∼1'' resolution of our observations could not have distinguished between the two components due to their separation (0.''73 ± 0.''06), illustrating that the additional velocity information provided by spectral line studies is important for addressing the prevalence of unresolved galaxy pairs in low-resolution submillimeter surveys

EXCITATION CONDITIONS IN THE MULTI-COMPONENT SUBMILLIMETER GALAXY SMM J00266+1708

Energy Technology Data Exchange (ETDEWEB)

Sharon, Chelsea E.; Baker, Andrew J. [Department of Physics and Astronomy, Rutgers, the State University of New Jersey, Piscataway, NJ 08854-8019 (United States); Harris, Andrew I. [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Tacconi, Linda J.; Lutz, Dieter [Max-Planck-Institut für extraterrestrische Physik (MPE), Giessenbachstr. 1, D-85748 Garching (Germany); Longmore, Steven N. [Astrophysics Research Institute, Liverpool John Moores University, Twelve Quays House, Egerton Warf, Birkenhead CH41 1LD (United Kingdom)

2015-01-10

We present multiline CO observations of the complex submillimeter galaxy SMM J00266+1708. Using the Zpectrometer on the Green Bank Telescope, we provide the first precise spectroscopic measurement of its redshift (z = 2.742). Based on followup CO(1-0), CO(3-2), and CO(5-4) mapping, SMM J00266+1708 appears to have two distinct components separated by ∼500 km s{sup –1} that are nearly coincident along our line of sight. The two components show hints of different kinematics, with the blueshifted component dispersion-dominated and the redshifted component showing a clear velocity gradient. CO line ratios differ slightly between the two components, indicating that the physical conditions in their molecular gas may not be alike. We tentatively infer that SMM J00266+1708 is an ongoing merger with a mass ratio of (7.8 ± 4.0)/sin {sup 2}(i), with its overall size and surface brightness closely resembling that of other merging systems. We perform large velocity gradient modeling of the CO emission from both components and find that each component's properties are consistent with a single phase of molecular gas (i.e., a single temperatures and density); additional multi-phase modeling of the redshifted component, although motivated by a CO(1-0) size larger than the CO(3-2) size, is inconclusive. SMM J00266+1708 provides evidence of early stage mergers within the submillimeter galaxy population. Continuum observations of J00266 at the ∼1'' resolution of our observations could not have distinguished between the two components due to their separation (0.''73 ± 0.''06), illustrating that the additional velocity information provided by spectral line studies is important for addressing the prevalence of unresolved galaxy pairs in low-resolution submillimeter surveys.

Molecular and polymeric organic semiconductors for applications in photovoltaic devices

International Nuclear Information System (INIS)

Meinhardt, G.

2000-01-01

Photovoltaic devices based on molecular as well as polymeric semiconductors were investigated and characterized. The organic materials presented here exhibit the advantages of low price, low processing costs and the possibility of tuning their optical properties. The photovoltaic properties were investigated by photocurrent action spectroscopy and I/V-characterization and the electric field distribution in each layer by electroabsorption spectroscopy. Single layer devices of molecular semiconductors and semiconducting polymers like methyl-substituted polyparaphenylene, CN-Ether-PPV, copper-phthalocyanine, the terryleneimide DOTer, the perylene derivatives BBP-perylene and polyBBP-perylene show low photocurrents as well as a small photovoltaic effect in their pristine form. One way to enhance the performance is to blend the active layer with molecular dopands like a soluble form of titaniumoxophthalocyanine or the aromatic macromolecule RS19 or to combine two organic semiconductors in heterostructure devices. The motivation for these experiments was the optimization of either charge transfer or energy transfer from one molecule to its neighbor molecule. A model based on the internal filter effect was used for fitting the photoresponse of single layer devices. For optimising heterostructure solar cells a more sophisticated theoretical model taking into account interference effects was used. (author)

Wettability, optical properties and molecular structure of plasma polymerized diethylene glycol dimethyl ether

Energy Technology Data Exchange (ETDEWEB)

Azevedo, T C A M; Algatti, M A; Mota, R P; Honda, R Y; Kayama, M E; Kostov, K G; Fernandes, R S [FEG-DFQ-UNESP, Av. Ariberto Pereira da Cunha 333, 12516-410 - Guaratingueta, SP (Brazil); Cruz, N C; Rangel, E C, E-mail: algatti@feg.unesp.b [UNESP, Avenida Tres de Marco, 511, 18087-180 Sorocaba, SP (Brazil)

2009-05-01

Modern industry has frequently employed ethylene glycol ethers as monomers in plasma polymerization process to produce different types of coatings. In this work we used a stainless steel plasma reactor to grow thin polymeric films from low pressure RF excited plasma of diethylene glycol dimethyl ether. Plasmas were generated at 5W RF power in the range of 16 Pa to 60 Pa. The molecular structure of plasma polymerized films and their optical properties were analyzed by Fourier Transform Infrared Spectroscopy (FTIR) and Ultraviolet-Visible Spectroscopy, respectively. The IR spectra show C-H stretching at 3000-2900 cm{sup -1}, C=O stretching at 1730-1650 cm{sup -1}, C-H bending at 1440-1380 cm{sup -1}, C-O and C-O-C stretching at 1200-1000 cm{sup -1}. The refraction index was around 1.5 and the optical gap calculated from absorption coefficient presented value near 3.8 eV. Water contact angle of the films ranged from 40 deg. to 35 deg. with corresponding surface energy from 66 to 73x10{sup -7} J. Because of its favorable optical and hydrophilic characteristics these films can be used in ophthalmic industries as glass lenses coatings.

Design of multi-tiered database application based on CORBA component

International Nuclear Information System (INIS)

Sun Xiaoying; Dai Zhimin

2003-01-01

As computer technology quickly developing, middleware technology changed traditional two-tier database system. The multi-tiered database system, consisting of client application program, application servers and database serves, is mainly applying. While building multi-tiered database system using CORBA component has become the mainstream technique. In this paper, an example of DUV-FEL database system is presented, and then discuss the realization of multi-tiered database based on CORBA component. (authors)

A dynamic predictive maintenance policy for complex multi-component systems

International Nuclear Information System (INIS)

Van Horenbeek, Adriaan; Pintelon, Liliane

2013-01-01

The use of prognostic methods in maintenance in order to predict remaining useful life is receiving more attention over the past years. The use of these techniques in maintenance decision making and optimization in multi-component systems is however a still underexplored area. The objective of this paper is to optimally plan maintenance for a multi-component system based on prognostic/predictive information while considering different component dependencies (i.e. economic, structural and stochastic dependence). Consequently, this paper presents a dynamic predictive maintenance policy for multi-component systems that minimizes the long-term mean maintenance cost per unit time. The proposed maintenance policy is a dynamic method as the maintenance schedule is updated when new information on the degradation and remaining useful life of components becomes available. The performance, regarding the objective of minimal long-term mean cost per unit time, of the developed dynamic predictive maintenance policy is compared to five other conventional maintenance policies, these are: block-based maintenance, age-based maintenance, age-based maintenance with grouping, inspection condition-based maintenance and continuous condition-based maintenance. The ability of the predictive maintenance policy to react to changing component deterioration and dependencies within a multi-component system is quantified and the results show significant cost savings

The Effects of Reaction Variables on Solution Polymerization of Vinyl Acetate and Molecular Weight of Poly(vinyl alcohol Using Taguchi Experimental Design

Directory of Open Access Journals (Sweden)

M.H. Navarchian

2009-12-01

Full Text Available Poly(vinyl acetate is synthesized via solution polymerization, and then it is converted to poly(vinyl alcohol by alkaline alcoholysis. The aim of the work study was to investigate statistically the  influence of reaction variables in vinyl acetate polymerization, the conversion of this monomer to polymer, degree of branching of acetyl group in poly(vinyl acetate, as well as the molecular weight of poly(vinyl alcohol, using Taguchi experimental design approach. The reaction variables were polymerization time, molar ratio of initiator to monomer, and volume ratio of monomer to solvent. The statistical analysis of variance of the results revealed that all factors have significantly influenced the conversion and degree of branching. Volume ratio of monomer to solvent is the only factor affecting the molecular weight of poly(vinyl alcohol, and has the greatest influence on all responses. By increasing this ratio, the conversion, degree of branching of acetyl group in poly(vinyl acetate, and molecular weight of poly(vinyl alcohol were increased.

Directing folding pathways for multi-component DNA origami nanostructures with complex topology

International Nuclear Information System (INIS)

Marras, A E; Zhou, L; Su, H-J; Castro, C E; Kolliopoulos, V

2016-01-01

Molecular self-assembly has become a well-established technique to design complex nanostructures and hierarchical mesoscale assemblies. The typical approach is to design binding complementarity into nucleotide or amino acid sequences to achieve the desired final geometry. However, with an increasing interest in dynamic nanodevices, the need to design structures with motion has necessitated the development of multi-component structures. While this has been achieved through hierarchical assembly of similar structural units, here we focus on the assembly of topologically complex structures, specifically with concentric components, where post-folding assembly is not feasible. We exploit the ability to direct folding pathways to program the sequence of assembly and present a novel approach of designing the strand topology of intermediate folding states to program the topology of the final structure, in this case a DNA origami slider structure that functions much like a piston-cylinder assembly in an engine. The ability to program the sequence and control orientation and topology of multi-component DNA origami nanostructures provides a foundation for a new class of structures with internal and external moving parts and complex scaffold topology. Furthermore, this work provides critical insight to guide the design of intermediate states along a DNA origami folding pathway and to further understand the details of DNA origami self-assembly to more broadly control folding states and landscapes. (paper)

Directing folding pathways for multi-component DNA origami nanostructures with complex topology

Science.gov (United States)

Marras, A. E.; Zhou, L.; Kolliopoulos, V.; Su, H.-J.; Castro, C. E.

2016-05-01

Molecular self-assembly has become a well-established technique to design complex nanostructures and hierarchical mesoscale assemblies. The typical approach is to design binding complementarity into nucleotide or amino acid sequences to achieve the desired final geometry. However, with an increasing interest in dynamic nanodevices, the need to design structures with motion has necessitated the development of multi-component structures. While this has been achieved through hierarchical assembly of similar structural units, here we focus on the assembly of topologically complex structures, specifically with concentric components, where post-folding assembly is not feasible. We exploit the ability to direct folding pathways to program the sequence of assembly and present a novel approach of designing the strand topology of intermediate folding states to program the topology of the final structure, in this case a DNA origami slider structure that functions much like a piston-cylinder assembly in an engine. The ability to program the sequence and control orientation and topology of multi-component DNA origami nanostructures provides a foundation for a new class of structures with internal and external moving parts and complex scaffold topology. Furthermore, this work provides critical insight to guide the design of intermediate states along a DNA origami folding pathway and to further understand the details of DNA origami self-assembly to more broadly control folding states and landscapes.

Process Chain for the Manufacture of Polymeric Tubular Micro-Components and “POLYTUBES Micro-Factory” Concept

DEFF Research Database (Denmark)

Qin, Yi; Perzon, Erik; Chronakis, Ioannis S.

The paper presents a process chain for the shaping of poly-meric tubular micro-components for the volume production as well as presents a concept for the integration of the developed processes and modular machines onto a platform to form a "POLYTUBES Micro-Factory", being resulting from the Europ...

Optimal maintenance of multi-component systems: a review

NARCIS (Netherlands)

R.P. Nicolai (Robin); R. Dekker (Rommert)

2006-01-01

textabstractIn this article we give an overview of the literature on multi-component maintenance optimization. We focus on work appearing since the 1991 survey "A survey of maintenance models for multi-unit systems" by Cho and Parlar. This paper builds forth on the review article by Dekker et al.

Selection of a suitable method for the preparation of polymeric nanoparticles: multi-criteria decision making approach.

Science.gov (United States)

Krishnamoorthy, Kannan; Mahalingam, Manikandan

2015-03-01

The present study is aimed to select the suitable method for preparation of camptothecin loaded polymeric nanoparticles by utilizing the multi-criteria decision making method. Novel approaches of drug delivery by formulation using nanotechnology are revolutionizing the future of medicine. Recent years have witnessed unprecedented growth of research and application in the area of nanotechnology. Nanoparticles have become an important area of research in the field of drug delivery because they have the ability to deliver a wide range of drug to varying areas of body. Despite of extensive research and development, polymeric nanoparticles are frequently used to improve the therapeutic effect of drugs. A number of techniques are available for the preparation of polymeric nanoparticles. The Analytical Hierarchy Process (AHP) is a method for decision making, which are derived from individual judgements for qualitative factors, using the pair-wise comparison matrix. In AHP, a decision hierarchy is constructed with a goal, criteria and alternatives. The model uses three main criteria 1) Instrument, 2) Process and Output and 3) Cost. In addition, there are eight sub-criteria's as well as eight alternatives. Pair-wise comparison matrixes are used to obtain the overall priority weight and ranking for the selection of suitable method. Nanoprecipitation technique is the most suitable method for the preparation of camptothecin loaded polymeric nanoparticles with the highest overall priority weight of 0.297 CONCLUSION: In particular, the result indicates that the priority weights obtained from AHP could be defined as a multiple output for finding out the most suitable method for preparation of camptothecin loaded polymeric nanoparticles.

Study on irradiated polymerization of acrylonitrile by NMR

International Nuclear Information System (INIS)

Zhao Xin; Lin Hao

1999-01-01

Sup 13 C CP/MAS spectra and nuclear Overhauser effects (NOE) at room temperature have been measured for acrylonitrile (AN) in homophase irradiated polymerization. With the increase of radiation dose the chemical shift of cracking peaks and NOE are variation. This implies that the polymerized mechanism of AN were changed with the variation of irradiated doses and dose rate. There is the stronger affinity electron group (-CN) in acrylonitrile monomer. It may be polymerized by various ways and mechanism and be gained the polymer of difference structures and molecular weight of polyacrylonitrile (PAN). Starmicarbon and Starker obtained higher molecular weight of polyacrylonitrile by peroxysulfate-pyrosulfite in oxidation-reduction system. The superhigh molecular weight of PAN was synthesized chemically according to the method of Wu et. al. by suspension polymerization. In this paper we discussed that the relative concentrations of steric dyads and triads in the chain structure in PAN and the irradiation polymerized mechanism of acrylonitrile monomer in room temperature by different dose and dose rate

Spatial distribution of intra-molecular water and polymeric components in polyelectrolyte dendrimers revealed by small angle scattering investigations

Science.gov (United States)

Wu, Bin; Li, Xin; Do, Changwoo; Kim, Tae-Hwan; Shew, Chwen-Yang; Liu, Yun; Yang, Jun; Hong, Kunlun; Porcar, Lionel; Chen, Chun-Yu; Liu, Emily L.; Smith, Gregory S.; Herwig, Kenneth W.; Chen, Wei-Ren

2011-10-01

An experimental scheme using contrast variation small angle neutron scattering technique is developed to investigate the structural characteristics of amine-terminated poly(amidoamine) dendrimers solutions. Using this methodology, we present the dependence of both the intra-dendrimer water and the polymer distribution on molecular protonation, which can be precisely adjusted by tuning the pH of the solution. Assuming spherical symmetry of the spatial arrangement of the constituent components of dendrimer, and that the atomic ratio of hydrogen-to-deuterium for the solvent residing within the cavities of dendrimer is identical to that for the solvent outside the dendrimer, the intra-dendrimer water distribution along the radial direction is determined. Our result clearly reveals an outward relocation of the peripheral groups, as well as enhanced intra-dendrimer hydration, upon increasing the molecular protonation and, therefore, allows the determination of segmental backfolding in a quantitative manner. The connection between these charge-induced structural changes and our recently observed progressively active segmental dynamics is also discussed.

From supramolecular polymers to multi-component biomaterials.

Science.gov (United States)

Goor, Olga J G M; Hendrikse, Simone I S; Dankers, Patricia Y W; Meijer, E W

2017-10-30

The most striking and general property of the biological fibrous architectures in the extracellular matrix (ECM) is the strong and directional interaction between biologically active protein subunits. These fibers display rich dynamic behavior without losing their architectural integrity. The complexity of the ECM taking care of many essential properties has inspired synthetic chemists to mimic these properties in artificial one-dimensional fibrous structures with the aim to arrive at multi-component biomaterials. Due to the dynamic character required for interaction with natural tissue, supramolecular biomaterials are promising candidates for regenerative medicine. Depending on the application area, and thereby the design criteria of these multi-component fibrous biomaterials, they are used as elastomeric materials or hydrogel systems. Elastomeric materials are designed to have load bearing properties whereas hydrogels are proposed to support in vitro cell culture. Although the chemical structures and systems designed and studied today are rather simple compared to the complexity of the ECM, the first examples of these functional supramolecular biomaterials reaching the clinic have been reported. The basic concept of many of these supramolecular biomaterials is based on their ability to adapt to cell behavior as a result of dynamic non-covalent interactions. In this review, we show the translation of one-dimensional supramolecular polymers into multi-component functional biomaterials for regenerative medicine applications.

Effect of oxyfluorinated multi-walled carbon nanotube additives on positive temperature coefficient/negative temperature coefficient behavior in high-density polyethylene polymeric switches

International Nuclear Information System (INIS)

Bai, Byong Chol; Kang, Seok Chang; Im, Ji Sun; Lee, Se Hyun; Lee, Young-Seak

2011-01-01

Graphical abstract: The electrical properties of MWCNT-filled HDPE polymeric switches and their effect on oxyfluorination. Highlights: → Oxyfluorinated MWCNTs were used to reduce the PTC/NTC phenomenon in MWCNT-filled HDPE polymeric switches. → Electron mobility is difficult in MWCNT particles when the number of oxygen functional groups (C-O, C=O) increases by oxyfluorination. → A mechanism of improved electrical properties of oxyfluorinated MWCNT-filled HDPE polymeric switches was suggested. -- Abstract: Multi-walled carbon nanotubes (MWCNTs) were embedded into high-density polyethylene (HDPE) to improve the electrical properties of HDPE polymeric switches. The MWCNT surfaces were modified by oxyfluorination to improve their positive temperature coefficient (PTC) and negative temperature coefficient (NTC) behaviors in HDPE polymeric switches. HDPE polymeric switches exhibit poor electron mobility between MWCNT particles when the number of oxygen functional groups is increased by oxyfluorination. Thus, the PTC intensity of HDPE polymeric switches was increased by the destruction of the electrical conductivity network. The oxyfluorination of MWCNTs also leads to weak NTC behavior in the MWCNT-filled HDPE polymeric switches. This result is attributed to the reduction of the mutual attraction between the MWCNT particles at the melting temperature of HDPE, which results from a decrease in the surface free energy of the C-F bond in MWCNT particles.

Molecular Mobility of n-Ethylene Glycol Dimethacrylate Glass Formers Upon Free Radical Polymerization

Science.gov (United States)

Plaza, Maria Teresa Viciosa

When a liquid upon cooling avoids crystallization, it enters the supercooled state. If the temperature continues to decrease, the consequent increase of viscosity is reflected in the molecular mobility in such a way that the characteristic relaxation times of cooperative motions become of the same order of the experimentally accessible timescales. Further cooling finally transforms the highly viscous liquid into a glass, in which only local motions are allowed. The monomers n-ethylene glycol dimethacrylate (n-EGDMA) for n =1 to 4, that constitutes the object of this study, easily circumvent crystallization, being good candidates to study the molecular mobility in both supercooled and glassy states. Dielectric Relaxation Spectroscopy (DRS) was the technique chosen to obtain detailed information about their molecular mobility (Chapters 1 and 2). The first part of this work consisted in the dielectric characterization of the relaxation processes present above and below the glass transition temperature (Tg), which shifts to higher values with the molecular weight ( Mw), result confirmed by Differential Scanning Calorimetry (DSC). While the cooperative alpha-process associated to the glass transition, and the secondary beta process, depend on Mw, the other found secondary process, gamma, seems to be independent from this factor (Chapter 3). In the next Chapters different strategies were carried out in order to clarify the mechanisms in the origin of these two secondary relaxations (beta and gamma), and to learn about its respective relation with the main a relaxation. Monitoring the real time isothermal free radical polymerization of TrEGDMA by Temperature Modulated Differential Scanning Calorimetry (TMDSC), carried out at temperatures below the gamma T of the final polymer network, we shown among others two important features: i) the vitrification of the polymer in formation leads to relatively low degrees of conversion, and ii) the unreacted monomer is expelled from

Allylthioketone Mediated Free Radical Polymerization of Methacrylates

Directory of Open Access Journals (Sweden)

Feng Zhong

2017-11-01

Full Text Available By combination of high trapping free radical efficiency of the thioketone and resonance of the allylic radical, a new type of mediating agent, 1,3,3-triphenylprop-2-ene-1-thione (TPPT has been successfully synthesized, and then is used to study controlled free radical polymerization of methacrylates. Very stable TPPT radicals at the end of poly(methyl methacrylate (PMMA are detected in the polymerization of MMA using TPPT and AIBN as the control agent and initiator. The MALDI-TOF MS spectra are used to identify terminal groups of the resultant poly(glycidyl methacrylate (PGMA, and major component of the obtained polymer has the structure, (CH32(CNC-PGMA-C7H9O3. Chain extension reaction tests ascertain formation of the dead polymers during the polymer storage and purification process of the polymers. Owing to very slow fragmentation reaction of the TPPT-terminated polymethacrylate radical and addition reaction of this radical with a primary radical, the growing chain radicals are difficult to be regenerated, leading to an unobvious change of the molecular weight with monomer conversion. The molecular weights of polymers can be controlled by the ratios of monomer/initiator and TPPT/initiator. However, the first order kinetics of the polymerization and the polymers with narrow polydispersity are obtained, and these phenomena are discussed. This study provides useful information on how to design a better controlling agent.

Vapor phase reactions in polymerization plasma for divinylsiloxane-bis-benzocyclobutene film deposition

International Nuclear Information System (INIS)

Kinoshita, Keizo; Nakano, Akinori; Kawahara, Jun; Kunimi, Nobutaka; Hayashi, Yoshihiro; Kiso, Osamu; Saito, Naoaki; Nakamura, Keiji; Kikkawa, Takamaro

2006-01-01

Vapor phase reactions in plasma polymerization of divinylsiloxane-bis-benzocyclobutene (DVS-BCB) low-k film depositions on 300 mm wafers were studied using mass spectrometry, in situ Fourier transform infrared, and a surface wave probe. Polymerization via Diels-Alder cycloaddition reaction was identified by the detection of the benzocyclohexene group. Hydrogen addition and methyl group desorption were also detected in DVS-BCB monomer and related large molecules. The dielectric constant k of plasma polymerized DVS-BCB with a plasma source power range up to 250 W was close to ∼2.7 of thermally polymerized DVS-BCB, and increased gradually over 250 W. The electron density at 250 W was about 1.5x10 10 cm -3 . The increase of the k value at higher power was explained by the decrease of both large molecular species via multistep dissociation and incorporation of silica components into the polymer. It was found that the reduction of electron density as well as precursor residence time is important for the plasma polymerization process to prevent the excess dissociation of the precursor

Pentafluorosulfanyl Substituents in Polymerization Catalysis.

Science.gov (United States)

Kenyon, Philip; Mecking, Stefan

2017-10-04

Highly electron-withdrawing pentafluorosulfanyl groups were probed as substituents in an organometallic catalyst. In Ni(II) salicylaldiminato complexes as an example case, these highly electron-withdrawing substituents allow for polymerization of ethylene to higher molecular weights with reduced branching due to significant reductions in β-hydrogen elimination. Combined with the excellent functional group tolerance of neutral Ni(II) complexes, this suppression of β-hydrogen elimination allows for the direct polymerization of ethylene in water to nanocrystal dispersions of disentangled, ultrahigh-molecular-weight linear polyethylene.

A Multi-component Matrix Loop Algebra and Its Application

International Nuclear Information System (INIS)

Dong Huanhe; Zhang Ning

2005-01-01

A set of multi-component matrix Lie algebra is constructed. It follows that a type of new loop algebra A M-1 is presented. An isospectral problem is established. Integrable multi-component hierarchy is obtained by Tu pattern, which possesses tri-Hamiltonian structures. Furthermore, it can be reduced to the well-known AKNS hierarchy and BPT hierarchy. Therefore, the major result of this paper can be regarded as a unified expression integrable model of the AKNS hierarchy and the BPT hierarchy.

A 9-vinyladenine-based molecularly imprinted polymeric membrane for the efficient recognition of plant hormone 1H-indole-3-acetic acid

International Nuclear Information System (INIS)

Chen Changbao; Chen Yanjun; Zhou Jie; Wu Chunhui

2006-01-01

9-Vinyladenine was synthesized as a novel functional monomer for molecular imprinting techniques and its structure was established with elemental analysis and 1 H NMR spectroscopy. The binding mechanism between this functional monomer 9-vinyladenine and the plant hormone 1 H-indole-3-acetic acid in acetonitrile was studied with UV-vis spectrophotometry. Based on this study, using 1 H-indole-3-acetic acid as a template molecule, a specific 9-vinyladenine-based molecularly imprinted polymeric membrane was prepared. Then, the resultant polymeric membrane morphologies were visualized with scanning electron microscopy, and the membrane permselectivity for 1 H-indole-3-acetic acid, 1 H-indole-3-butyric acid and kinetin was tested with separate experiments and competitive diffusion experiments. These results showed that the imprinted polymeric membrane prepared with 9-vinyladenine exhibited higher transport selectivity for the template molecule 1 H-indole-3-acetic acid than 1 H-indole-3-butyric acid or kinetin. The membrane prepared with 9-vinyladenine also took on higher permselectivity for 1 H-indole-3-acetic acid in comparison with the imprinted membrane made with methacrylic acid. It is predicted that the 9-vinyladenine-based molecularly imprinted membrane may be applicable to the assay of 1 H-indole-3-acetic acid or for the preparation of a molecularly imprinted polymer sensor for the analysis of 1 H-indole-3-acetic acid in plant samples

Study on radiation-induced polymerization of vinyl monomers adsorbed on inorganic substances. II. Radiation-induced polymerization of methyl methacrylate adsorbed on several inorganic substances

International Nuclear Information System (INIS)

Fukano, K.; Kageyama, E.

1975-01-01

The radiation-induced polymerization of methyl methacrylate (MMA) adsorbed on such inorganic substances as silica gel, white carbon, silicic acid anhydride, zeolite, and activated alumina was carried out to compare with the case of styrene. The rate of radiation-induced polymerization adsorbed on inorganic substances was high compared with that of radiation-induced bulk state polymerization, as was the case with styrene. Inorganic substrates which contain aluminum as a component element are more likely to be grafted than those which consist of SiO 2 alone, as with styrene. The molecular weight distribution of unextractable polymer and extractable polymer differs, depending on the type of inorganic substance. Experiments by a preirradiation method were carried out in case of silica gel, white carbon, and silicic acid anhydride. GPC spectra of the polymer obtained were different from those of polymer formed by the simultaneous irradiation method. It appears that all the unextractable polymer is grafted to the inorganic surface with chemical bond

A new multi-component hierarchy and its integrable expanding model

International Nuclear Information System (INIS)

Dong Huanhe; Liang Xiangqian

2008-01-01

A set of multi-component matrix Lie algebra is constructed, it follows that a type of new loop algebra is presented and multi-component integrable hierarchy is obtained. Furthermore, the loop algebra is expanded into a larger one and a type of integrable coupling system is worked out. As reduction of the hierarchy, some well-known hierarchy such as DNLS, KN, CLL hierarchy are established

Reliability analysis and component functional allocations for the ESF multi-loop controller design

International Nuclear Information System (INIS)

Hur, Seop; Kim, D.H.; Choi, J.K.; Park, J.C.; Seong, S.H.; Lee, D.Y.

2006-01-01

This paper deals with the reliability analysis and component functional allocations to ensure the enhanced system reliability and availability. In the Engineered Safety Features, functionally dependent components are controlled by a multi-loop controller. The system reliability of the Engineered Safety Features-Component Control System, especially, the multi-loop controller which is changed comparing to the conventional controllers is an important factor for the Probability Safety Assessment in the nuclear field. To evaluate the multi-loop controller's failure rate of the k-out-of-m redundant system, the binomial process is used. In addition, the component functional allocation is performed to tolerate a single multi-loop controller failure without the loss of vital operation within the constraints of the piping and component configuration, and ensure that mechanically redundant components remain functional. (author)

Amperometric detection of morphine based on poly(3,4-ethylenedioxythiophene) immobilized molecularly imprinted polymer particles prepared by precipitation polymerization

International Nuclear Information System (INIS)

Ho, K.-C.; Yeh, W.-M.; Tung, T.-S.; Liao, J.-Y.

2005-01-01

Molecular imprinting is a novel technique used for chiral separation, artificial antibodies, sensors, and assays. Typically, molecular imprinted polymers (MIPs) are monoliths with irregular shapes. However, microspherical shapes with more uniform size can be obtained by the method of precipitation polymerization, which offers a higher active surface area by manipulating its compositions. In this study, MIP particles for the target molecule, morphine, were synthesized using a precipitation polymerization method that is more facile than the previous one that produced a thermally polymerized bulk. The conducting polymer, poly(3,4-ethylenedioxythiophene) (PEDOT), was utilized to immobilize the MIP particles onto the indium tin oxide (ITO) glass as a MIP/PEDOT-modified electrode. The sensitivity for the MIP/PEDOT-modified electrode with MIP particles was 41.63 μA/cm 2 mM, which is more sensitive than that with non-MIP particles or that of a single PEDOT film with no incorporated particles in detecting morphine ranging from 0.1 to 2 mM. The detection limit was 0.3 mM (S/N = 3). In addition, we presented that the modified electrode can discriminate codeine that plays an interfering species

Preparation of Ultrahigh Molecular Weight Polyethylene/Graphene Nanocomposite In situ Polymerization via Spherical and Sandwich Structure Graphene/Sio2 Support

Science.gov (United States)

Su, Enqi; Gao, Wensheng; Hu, Xinjun; Zhang, Caicai; Zhu, Bochao; Jia, Junji; Huang, Anping; Bai, Yongxiao

2018-04-01

Reduced graphene oxide/SiO2 (RGO/SiO2) serving as a novel spherical support for Ziegler-Natta (Z-N) catalyst is reported. The surface and interior of the support has a porous architecture formed by RGO/SiO2 sandwich structure. The sandwich structure is like a brick wall coated with a graphene layer of concreted as skeleton which could withstand external pressures and endow the structure with higher support stabilities. After loading the Z-N catalyst, the active components anchor on the surface and internal pores of the supports. When the ethylene molecules meet the active centers, the molecular chains grow from the surface and internal catalytic sites in a regular and well-organized way. And the process of the nascent molecular chains filled in the sandwich structure polymerization could ensure the graphene disperse uniformly in the polymer matrix. Compared with traditional methods, the porous spherical graphene support of this strategy has far more advantages and could maintain an intrinsic graphene performance in the nanocomposites.

Process and apparatus for fractionating close-boiling components of a multi-component system

International Nuclear Information System (INIS)

Tsao, U.

1983-01-01

A process and apparatus are described for the fractionation of close-boiling components of a multi-component system comprising at least two fractionation columns A, B in series having a plurality of equilibrium stages in which the vapor stream from a downstream fractionation column B is compressed by a compressor and passed into a lower portion of a preceding fractionation column A and a liquid bottom stream from any one of said columns except the last is expanded by an orifice sufficiently to convey the resulting liquid-vapor mixture to the upper portion of the next fractionation column B. In a particularly preferred embodiment, the compressed overhead vapor stream is passed in heat transfer relationship to a liquid stream withdrawn from the preceding fractionation column A prior to introduction into the lower portion of such preceding fractionation column A. In one of the claims, the multi-component close-boiling system is a deuterium oxide-water solution. (author)

Synthesis and Evaluation of Molecularly Imprinted Polymeric Microspheres for Chloramphenicol by Aqueous Suspension Polymerization as a High Performance Liquid Chromatography Stationary Phase

International Nuclear Information System (INIS)

Zhang, Yan; Lei, Jiandu

2013-01-01

Molecularly imprinted microsphere for chloramphenicol (CAP) with high adsorption capacity and excellent selectivity is prepared by aqueous suspension polymerization, in which chloramphenicol is used as template molecule and ethyl acetate as porogen. The CAP-imprinted microspheres are used as high performance liquid chromatography (HPLC) stationary phase and packed into stainless steel column (150 mm Χ 4.6 mm i. d.) for selective separation of chloramphenicol. HPLC analysis suggests that chloramphenicol can be distinguished from not only its structural analogs but also other broad-spectrum antibiotic such as erythromycin and tetracycline. In addition, the binding experiments of CAP-imprinted microspheres are carried out in ethanol/water (1:4, V:V), the results indicate that the maximum apparent static binding capacity of molecularly imprinted microspheres is up to 66.64 mg g -1 according to scatchard model

Living atom transfer radical polymerization of 4-acetoxystyrene

DEFF Research Database (Denmark)

Gao, Bo; Chen, Xianyi; Ivan, Bela

1997-01-01

Living atom transfer radical polymerization (ATRP) of 4-acetoxystyrene (1), a protected 4-vinylphenol, leading to poly(4-acetoxystyrene) with well-defined molecular weight and narrow molecular weight distribution was carried out in bulk with a,a'-dibromoxylene(2)/CuBr/2,2-bipyridine(bpy) as initi......Living atom transfer radical polymerization (ATRP) of 4-acetoxystyrene (1), a protected 4-vinylphenol, leading to poly(4-acetoxystyrene) with well-defined molecular weight and narrow molecular weight distribution was carried out in bulk with a,a'-dibromoxylene(2)/CuBr/2,2-bipyridine......(bpy) as initiating system. A linear (M) over bar(n), versus monomer conversion plot was found in good accordance with the theoretical line, indicating 100% initiating efficiency. The polymerization is first order in respect to monomer up to about 70% monomer conversion. Deviations from linearity at higher conversion...

Light and Redox Switchable Molecular Components for Molecular Electronics

NARCIS (Netherlands)

Browne, Wesley R.; Feringa, Bernard

2010-01-01

The field of molecular and organic electronics has seen rapid progress in recent years, developing from concept and design to actual demonstration devices in which both single molecules and self-assembled monolayers are employed as light-responsive components. Research in this field has seen

Three-site mechanism and molecular weight: Time dependency in liquid propylene batch polymerization using a MgCl2-supported Ziegler-Natta catalyst

NARCIS (Netherlands)

Shimizu, Fumihiko; Pater, J.T.M.; Weickert, G.

2001-01-01

This article demonstrates that the molecular weight of propylene homopolymer decreases with time, and that the molecular weight distribution (MWD) narrows when a highly active MgCl2-supported catalyst is used in a liquid pool polymerization at constant H2 concentration and temperature. To track the

New cobalt-mediated radical polymerization (CMRP of methyl methacrylate initiated by two single-component dinuclear β-diketone cobalt (II catalysts.

Directory of Open Access Journals (Sweden)

Feng Bao

Full Text Available Two dinuclear cobalt complexes based on bis-diketonate ligands (ligand 1: 3,3'-(1,3-phenylenebis(1-phenylpropane-1,3-dione; ligand 2: 3,3'-(1,4-phenylenebis(1-phenylpropane-1,3-dione were successfully synthesized. The two neutral catalysts all showed satisfactory activities in the cobalt-mediated radical polymerization (CMRP of methyl methacrylate (MMA with the common initiator of azodiisobutyronitrile (AIBN. The resulting polymerizations have all of the characteristics of a living polymerization and displayed linear semilogarithmic kinetic plots, a linear correlation between the number-average molecular weight and the monomer conversion, and low polydispersities. Mono- or dicomponent low polydispersity polymers could be obtained by using the two dinuclear catalysts under proper reaction conditions. All these improvements facilitate the implementation of the acrylate CMRP and open the door to the scale-up of the syntheses and applications of the multicomponent low polydispersity polymers.

Molecularly imprinted polymer beads for nicotine recognition prepared by RAFT precipitation polymerization: a step forward towards multifunctionalities

DEFF Research Database (Denmark)

Zhou, Tongchang; Jørgensen, Lars; Mattebjerg, Maria Ahlm

2014-01-01

A nicotine imprinted polymer was synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization using methacrylic acid (MAA) as a functional monomer. The resulting molecularly imprinted polymers were monodispersed beads with an average diameter of 1.55 mm. The molecular...... selectivity of the imprinted polymer beads was evaluated by studying the uptake of nicotine and its structural analogs by the polymer beads. Equilibrium binding results indicate that the amount of nicotine bound to the imprinted polymer beads is significantly higher than that bound to the nonimprinted polymer...

Molecular Orientation in Two Component Vapor-Deposited Glasses: Effect of Substrate Temperature and Molecular Shape

Science.gov (United States)

Powell, Charles; Jiang, Jing; Walters, Diane; Ediger, Mark

Vapor-deposited glasses are widely investigated for use in organic electronics including the emitting layers of OLED devices. These materials, while macroscopically homogenous, have anisotropic packing and molecular orientation. By controlling this orientation, outcoupling efficiency can be increased by aligning the transition dipole moment of the light-emitting molecules parallel to the substrate. Light-emitting molecules are typically dispersed in a host matrix, as such, it is imperative to understand molecular orientation in two-component systems. In this study we examine two-component vapor-deposited films and the orientations of the constituent molecules using spectroscopic ellipsometry, UV-vis and IR spectroscopy. The role of temperature, composition and molecular shape as it effects molecular orientation is examined for mixtures of DSA-Ph in Alq3 and in TPD. Deposition temperature relative to the glass transition temperature of the two-component mixture is the primary controlling factor for molecular orientation. In mixtures of DSA-Ph in Alq3, the linear DSA-Ph has a horizontal orientation at low temperatures and slight vertical orientation maximized at 0.96Tg,mixture, analogous to one-component films.

On fault propagation in deterioration of multi-component systems

International Nuclear Information System (INIS)

Liang, Zhenglin; Parlikad, Ajith Kumar; Srinivasan, Rengarajan; Rasmekomen, Nipat

2017-01-01

In extant literature, deterioration dependence among components can be modelled as inherent dependence and induced dependence. We find that the two types of dependence may co-exist and interact with each other in one multi-component system. We refer to this phenomenon as fault propagation. In practice, a fault induced by the malfunction of a non-critical component may further propagate through the dependence amongst critical components. Such fault propagation scenario happens in industrial assets or systems (bridge deck, and heat exchanging system). In this paper, a multi-layered vector-valued continuous-time Markov chain is developed to capture the characteristics of fault propagation. To obtain the mathematical tractability, we derive a partitioning rule to aggregate states with the same characteristics while keeping the overall aging behaviour of the multi-component system. Although the detailed information of components is masked by aggregated states, lumpability is attainable with the partitioning rule. It means that the aggregated process is stochastically equivalent to the original one and retains the Markov property. We apply this model on a heat exchanging system in oil refinery company. The results show that fault propagation has a more significant impact on the system's lifetime comparing with inherent dependence and induced dependence. - Highlights: • We develop a vector value continuous-time Markov chain to model the meta-dependent characteristic of fault propagation. • A partitioning rule is derived to reduce the state space and attain lumpability. • The model is applied on analysing the impact of fault propagation in a heat exchanging system.

Surfactant-Free RAFT Emulsion Polymerization of Styrene Using Thermoresponsive macroRAFT Agents: Towards Smart Well-Defined Block Copolymers with High Molecular Weights

Directory of Open Access Journals (Sweden)

Steffen Eggers

2017-12-01

Full Text Available The combination of reversible addition–fragmentation chain transfer (RAFT and emulsion polymerization has recently attracted much attention as a synthetic tool for high-molecular-weight block copolymers and their micellar nano-objects. Up to recently, though, the use of thermoresponsive polymers as both macroRAFT agents and latex stabilizers was impossible in aqueous media due to their hydrophobicity at the usually high polymerization temperatures. In this work, we present a straightforward surfactant-free RAFT emulsion polymerization to obtain thermoresponsive styrenic block copolymers with molecular weights of around 100 kDa and their well-defined latexes. The stability of the aqueous latexes is achieved by adding 20 vol % of the cosolvent 1,4-dioxane (DOX, increasing the phase transition temperature (PTT of the used thermoresponsive poly(N-acryloylpyrrolidine (PAPy macroRAFT agents above the polymerization temperature. Furthermore, this cosolvent approach is combined with the use of poly(N,N-dimethylacrylamide-block-poly(N-acryloylpiperidine-co-N-acryloylpyrrolidine (PDMA-b-P(APi-co-APy as the macroRAFT agent owning a short stabilizing PDMA end block and a widely adjustable PTT of the P(APi-co-APy block in between 4 and 47 °C. The temperature-induced collapse of the latter under emulsion polymerization conditions leads to the formation of RAFT nanoreactors, which allows for a very fast chain growth of the polystyrene (PS block. In dynamic light scattering (DLS, as well as cryo-transmission electron microscopy (cryoTEM, moreover, all created latexes indeed reveal a high (temperature stability and a reversible collapse of the thermoresponsive coronal block upon heating. Hence, this paper pioneers a versatile way towards amphiphilic thermoresponsive high-molecular-weight block copolymers and their nano-objects with tailored corona switchability.

Polymeric bicontinuous microemulsions

DEFF Research Database (Denmark)

Bates, F.S.; Maurer, W.W.; Lipic, P.M.

1997-01-01

High molecular weight block copolymers can be viewed as macromolecular surfactants when blended with thermodynamically incompatible homopolymers. This Letter describes the formation of polymeric bicontinuous microemulsions in nurtures containing a model diblock copolymer and two homopolymers. Alt...

Radiation induced emulsion polymerization

International Nuclear Information System (INIS)

Stannett, V.T.; Stahel, E.P.

1990-01-01

High energy radiation is particularly favored for the initiation of emulsion polymerization. The yield of free radicals, for example, from the radiolysis of the aqueous phase, is high; G(radical) values of 5-7. In addition, the rather special kinetics associated with emulsion polymerization lead, in general, to very large kinetic chain lengths, even with 'non-ideal' monomers such as vinyl acetate. Together, high polymerization rates at low doses become possible. There are some important advantages of radiation polymerization compared with chemical initiators, such as potassium persulfate. Perhaps the most important among them is the temperature independence of the initiation step. This makes low temperature polymerization very accessible. With monomers such as vinyl acetate, where chain termination to monomer is predominant, low temperatures lead to often highly desirable higher molecular weights. With styrene, the classical ideally behaved monomer, there are the advantages such as, for example, the feasibility of using cationic monomers. These and some attendant disadvantages are discussed in detail, including pilot plant studies

Multi-sensor control for precise assembly of optical components

Directory of Open Access Journals (Sweden)

Ma Li

2014-06-01

Full Text Available In order to perform an optical assembly accurately, a multi-sensor control strategy is developed which includes an attitude measurement system, a vision system, a loss measurement system and a force sensor. A 3-DOF attitude measuring method using linear variable differential transformers (LVDT is designed to adjust the relation of position and attitude between the spherical mirror and the resonator. A micro vision feedback system is set up to extract the light beam and the diaphragm, which can achieve the coarse positioning of the spherical mirror in the optical assembly process. A rapid self-correlation method is presented to analyze the spectrum signal for the fine positioning. In order to prevent the damage of the optical components and realize sealing of the resonator, a hybrid force-position control is constructed to control the contact force of the optical components. The experimental results show that the proposed multi-sensor control strategy succeeds in accomplishing the precise assembly of the optical components, which consists of parallel adjustment, macro coarse adjustment, macro approach, micro fine adjustment, micro approach and optical contact. Therefore, the results validate the multi-sensor control strategy.

Fabrication, Physicochemical Characterization, and Performance Evaluation of Biodegradable Polymeric Microneedle Patch System for Enhanced Transcutaneous Flux of High Molecular Weight Therapeutics.

Science.gov (United States)

Shah, Viral; Choudhury, Bijaya Krushna

2017-11-01

A revolutionary paradigm shift is being observed currently, towards the use of therapeutic biologics for disease management. The present research was focused on designing an efficient dosage form for transdermal delivery of α-choriogonadotropin (high molecular weight biologic), through biodegradable polymeric microneedles. Polyvinylpyrrolidone-based biodegradable microneedle arrays loaded with high molecular weight polypeptide, α-choriogonadotropin, were fabricated for its systemic delivery via transdermal route. Varied process and formulation parameters were optimized for fabricating microneedle array, which in turn was expected to temporally rupture the stratum corneum layer of the skin, acting as a major barrier to drug delivery through transdermal route. The developed polymeric microneedles were optimized on the basis of quality attributes like mechanical strength, axial strength, insertion ratio, and insertion force analysis. The optimized polymeric microneedle arrays were characterized for in vitro drug release studies, ex vivo drug permeation studies, skin resealing studies, and in vivo pharmacokinetic studies. Results depicted that fabricated polymeric microneedle arrays with mechanical strength of above 5 N and good insertion ratio exhibited similar systemic bioavailability of α-choriogonadotropin in comparison to marketed subcutaneous injection formulation of α-choriogonadotropin. Thus, it was ultimately concluded that the designed drug delivery system can serve as an efficient tool for systemic delivery of therapeutic biologics, with an added benefit of overcoming the limitations of parenteral delivery, achieving better patient acceptability and compliance.

Mechanisms of plastic deformation in highly cross-linked UHMWPE for total hip components--the molecular physics viewpoint.

Science.gov (United States)

Takahashi, Yasuhito; Shishido, Takaaki; Yamamoto, Kengo; Masaoka, Toshinori; Kubo, Kosuke; Tateiwa, Toshiyuki; Pezzotti, Giuseppe

2015-02-01

Plastic deformation is an unavoidable event in biomedical polymeric implants for load-bearing application during long-term in-vivo service life, which involves a mass transfer process, irreversible chain motion, and molecular reorganization. Deformation-induced microstructural alterations greatly affect mechanical properties and durability of implant devices. The present research focused on evaluating, from a molecular physics viewpoint, the impact of externally applied strain (or stress) in ultra-high molecular weight polyethylene (UHMWPE) prostheses, subjected to radiation cross-linking and subsequent remelting for application in total hip arthroplasty (THA). Two different types of commercial acetabular liners, which belong to the first-generation highly cross-linked UHMWPE (HXLPE), were investigated by means of confocal/polarized Raman microprobe spectroscopy. The amount of crystalline region and the spatial distribution of molecular chain orientation were quantitatively analyzed according to a combined theory including Raman selection rules for the polyethylene orthorhombic structure and the orientation distribution function (ODF) statistical approach. The structurally important finding was that pronounced recrystallization and molecular reorientation increasingly appeared in the near-surface regions of HXLPE liners with increasing the amount of plastic (compressive) deformation stored in the microstructure. Such molecular rearrangements, occurred in response to external strains, locally increase surface cross-shear (CS) stresses, which in turn trigger microscopic wear processes in HXLPE acetabular liners. Thus, on the basis of the results obtained at the molecular scale, we emphasize here the importance of minimizing the development of irrecoverable deformation strain in order to retain the pristine and intrinsically high wear performance of HXLPE components. Copyright © 2014 Elsevier Ltd. All rights reserved.

Polymer Percolation Threshold in Multi-Component HPMC Matrices Tablets

Directory of Open Access Journals (Sweden)

Maryam Maghsoodi

2011-06-01

Full Text Available Introduction: The percolation theory studies the critical points or percolation thresholds of the system, where onecomponent of the system undergoes a geometrical phase transition, starting to connect the whole system. The application of this theory to study the release rate of hydrophilic matrices allows toexplain the changes in release kinetics of swellable matrix type system and results in a clear improvement of the design of controlled release dosage forms. Methods: In this study, the percolation theory has been applied to multi-component hydroxypropylmethylcellulose (HPMC hydrophilic matrices. Matrix tablets have been prepared using phenobarbital as drug,magnesium stearate as a lubricant employing different amount of lactose and HPMC K4M as a fillerandmatrix forming material, respectively. Ethylcelullose (EC as a polymeric excipient was also examined. Dissolution studies were carried out using the paddle method. In order to estimate the percolation threshold, the behaviour of the kinetic parameters with respect to the volumetric fraction of HPMC at time zero, was studied. Results: In both HPMC/lactose and HPMC/EC/lactose matrices, from the point of view of the percolation theory, the optimum concentration for HPMC, to obtain a hydrophilic matrix system for the controlled release of phenobarbital is higher than 18.1% (v/v HPMC. Above 18.1% (v/v HPMC, an infinite cluster of HPMC would be formed maintaining integrity of the system and controlling the drug release from the matrices. According to results, EC had no significant influence on the HPMC percolation threshold. Conclusion: This may be related to broad functionality of the swelling hydrophilic matrices.

A Multi-step and Multi-level approach for Computer Aided Molecular Design

DEFF Research Database (Denmark)

. The problem formulation step incorporates a knowledge base for the identification and setup of the design criteria. Candidate compounds are identified using a multi-level generate and test CAMD solution algorithm capable of designing molecules having a high level of molecular detail. A post solution step...... using an Integrated Computer Aided System (ICAS) for result analysis and verification is included in the methodology. Keywords: CAMD, separation processes, knowledge base, molecular design, solvent selection, substitution, group contribution, property prediction, ICAS Introduction The use of Computer...... Aided Molecular Design (CAMD) for the identification of compounds having specific physic...

Enantiomer-specific analysis of multi-component mixtures by correlated electron imaging-ion mass spectrometry

NARCIS (Netherlands)

Rafiee Fanood, M.M.; Ram, N.B.; Lehmann, C.S.; Powis, I.; Janssen, M.H.M.

2015-01-01

Simultaneous, enantiomer-specific identification of chiral molecules in multi-component mixtures is extremely challenging. Many established techniques for single-component analysis fail to provide selectivity in multi-component mixtures and lack sensitivity for dilute samples. Here we show how

Hierarchies of multi-component mKP equations and theirs integrable couplings

International Nuclear Information System (INIS)

Ji Jie; Yao Yuqin; Zhu Fubo; Chen Dengyuan

2008-01-01

First, a new multi-component modified Kadomtsev-Petviashvill (mKP) spectral problem is constructed by k-constraint imposed on a general pseudo-differential operator. Then, two hierarchies of multi-component mKP equations are derived, including positive non-isospectral mKP hierarchy and negative non-isospectral mKP hierarchy. Moreover, new integrable couplings of the resulting mKP soliton hierarchies are constructed by enlarging the associated matrix spectral problem

Proficiency feasibility of multi-walled carbon nanotubes in the presence of polymeric surfactant on enhanced oil recovery

Science.gov (United States)

Nezhad, Javad Razavi; Jafari, Arezou; Abdollahi, Mahdi

2018-01-01

Enhanced heavy oil recovery methods are widely utilized to increase oil recovery. For this purpose, polymer and surfactant flooding have been used extensively. Recently, polymeric surfactant flooding has become an attractive alternative to sole polymer flooding due to their capability of providing an increase in solution viscosity and a decrease in interfacial tension, which are both beneficial for efficiency of the process. Applying nanoparticles as an additive to polymer solutions is a method to improve viscosity and alter rock wettability. Therefore, in this research, multi-walled carbon nanotube (MWCNT) was mixed with a polymeric surfactant of polyacrylamide-graft-lignin copolymer (PAM-g-L) synthesized via radical grafting reaction. Moreover, several solutions with different concentrations of nanoparticles with PAM-g-L were prepared. The solutions were injected into a micromodel to evaluate the PAM-g-L flooding efficiency in presence of the multi-walled carbon nanotubes. The results of micromodel flooding showed that increasing MWCNT concentration results in lower sweep efficiencies; and consequently, oil production will decrease. Therefore, MWCNT along with PAM-g-L has an unacceptable performance in enhanced heavy oil recovery. But data of wettability tests revealed that MWCNT can change the wettability from oil-wet to water-wet. In addition, the combination of the PAM-g-L and MWCNT in a solution will cause more water-wet condition.

Detailed finite element method modeling of evaporating multi-component droplets

Energy Technology Data Exchange (ETDEWEB)

Diddens, Christian, E-mail: C.Diddens@tue.nl

2017-07-01

The evaporation of sessile multi-component droplets is modeled with an axisymmetic finite element method. The model comprises the coupled processes of mixture evaporation, multi-component flow with composition-dependent fluid properties and thermal effects. Based on representative examples of water–glycerol and water–ethanol droplets, regular and chaotic examples of solutal Marangoni flows are discussed. Furthermore, the relevance of the substrate thickness for the evaporative cooling of volatile binary mixture droplets is pointed out. It is shown how the evaporation of the more volatile component can drastically decrease the interface temperature, so that ambient vapor of the less volatile component condenses on the droplet. Finally, results of this model are compared with corresponding results of a lubrication theory model, showing that the application of lubrication theory can cause considerable errors even for moderate contact angles of 40°. - Graphical abstract:.

Data supporting the validation of a simulation model for multi-component gas separation in polymeric membranes.

Science.gov (United States)

Giordano, Lorena; Roizard, Denis; Bounaceur, Roda; Favre, Eric

2016-12-01

The article describes data concerning the separation performances of polymeric hollow-fiber membranes. The data were obtained using a model for simulating gas separation, described in the research article entitled "Interplay of inlet temperature and humidity on energy penalty for CO 2 post-combustion capture: rigorous analysis and simulation of a single stage gas permeation process" (L. Giordano, D. Roizard, R. Bounaceur, E. Favre, 2016) [1]. The data were used to validate the model by comparison with literature results. Considering a membrane system based on feed compression only, data from the model proposed and that from literature were compared with respect to the molar composition of permeate stream, the membrane area and specific energy requirement, varying the feed pressure and the CO 2 separation degree.

Novel Reagents for Multi-Component Reactions

Science.gov (United States)

Wang, Yanguang; Basso, Andrea; Nenajdenko, Valentine G.; Gulevich, Anton V.; Krasavin, Mikhail; Bushkova, Ekaterina; Parchinsky, Vladislav; Banfi, Luca; Basso, Andrea; Cerulli, Valentina; Guanti, Giuseppe; Riva, Renata; Rozentsveig, Igor B.; Rozentsveig, Gulnur N.; Popov, Aleksandr V.; Serykh, Valeriy J.; Levkovskaya, Galina G.; Cao, Song; Shen, Li; Liu, Nianjin; Wu, Jingjing; Li, Lina; Qian, Xuhong; Chen, Xiaopeng; Wang, Hongbo; Feng, Jinwu; Wang, Yanguang; Lu, Ping; Heravi, Majid M.; Sadjadi, Samaheh; Kazemizadeh, Ali Reza; Ramazani, Ali; Kudyakova, Yulia S.; Goryaeva, Marina V.; Burgart, Yanina V.; Saloutin, Victor I.; Mossetti, Riccardo; Pirali, Tracey; Tron, Gian Cesare; Rozhkova, Yulia S.; Mayorova, Olga A.; Shklyaev, Yuriy V.; Zhdanko, Alexander G.; Nenajdenko, Valentine G.; Stryapunina, Olga G.; Plekhanova, Irina V.; Glushkov, Vladimir A.; Shklyaev, Yurii V.

Ketenimines are a class of versatile and highly reactive intermediates that can participate in a variety of organic reactions, such as nucleophilic additions, radical additions, [2 + 2] and [2 + 4] cycloadditions, and sigmatropic rearrangements. In this presentation, we report on a series of multi-component reactions that involve a ketenimine intermediate. These reactions could furnish diverse heterocyclic compounds, including functionalized iminocoumarin, iminodihydroqunolines, iminothiochromens, pyrrolines, isoquinolines, pyridines, β-lactams, imino-1,2-dihydrocoumarins, and benzimidazoles.

Molecular assembly and electro polymerization of 3,4-ethylenedioxy thiophene on Au(100) single crystal electrode using in-situ electrochemical scanning tunneling microscopy

International Nuclear Information System (INIS)

Garcia, Jonyl L.; Tongol, Bernard John V.; ShuehLin Yau

2012-01-01

Electrochemical scanning tunneling microscopy (Ec-STM) is a powerful technique that can provide molecular-level information regarding electrode surface processes in-situ in electrolyte solvent under ambient conditions. In this study, the adsorption and electro polymerization of an industrially important conducting polymer precursor, 3,4-ethylenedioxy thiophene (EDOT), on Au (100) single crystal was probed using Ec-STM. The Au (100) single crystal electrode substrate used for this study was fabricated using the well-known Clavilier's flame melting procedure. Cyclic voltammetry (CV) was used along with Ec-STM to characterize the bare, EDOT-modified, and poly(EDOT)-modified Au (100) single crystal electrode. Time-dependent Ec-STM imaging at 0.550 V showed the formation of an EDOT self-assembled monolayer through 2-D surface dillusion. The resulting EDOT molecular assembly on Au (100) single crystal electrode was found to fit in a 4√2χ3√2 unit cell. Difference in apparent corrugation between molecular rows was attributed to different angular orientation with respect to the substrate. The electro polymerization of EDOT on Au (100) single crystal electrode was done by potentiostatic and potentiodynamic methods. Both methods suggested a solution-process mechanism for EDOT electro polymerization. (author)

Oxidative polymerization of lignins by laccase in water-acetone mixture.

Science.gov (United States)

Fiţigău, Ionița Firuța; Peter, Francisc; Boeriu, Carmen Gabriela

2013-01-01

The enzymatic oxidative polymerization of five technical lignins with different molecular properties, i.e. Soda Grass/Wheat straw Lignin, Organosolv Hardwood Lignin, Soda Wheat straw Lignin, Alkali pretreated Wheat straw Lignin, and Kraft Softwood was studied. All lignins were previously fractionated by acetone/water 50:50 (v/v) and the laccase-catalyzed polymerization of the low molecular weight fractions (Mw Reactivity of lignin substrates in laccase-catalyzed reactions was determined by monitoring the oxygen consumption. The oxidation reactions in 50% acetone in water mixture proceed with high rate for all tested lignins. Polymerization products were analyzed by size exclusion chromatography, FT-IR, and (31)P-NMR and evidence of important lignin modifications after incubation with laccase. Lignin polymers with higher molecular weight (Mw up to 17500 g/mol) were obtained. The obtained polymers have potential for applications in bioplastics, adhesives and as polymeric dispersants.

RAFT Aqueous Dispersion Polymerization of N-(2-(Methacryloyloxy)ethyl)pyrrolidone: A Convenient Low Viscosity Route to High Molecular Weight Water-Soluble Copolymers.

Science.gov (United States)

Cunningham, Victoria J; Derry, Matthew J; Fielding, Lee A; Musa, Osama M; Armes, Steven P

2016-06-28

RAFT solution polymerization of N -(2-(methacryoyloxy)ethyl)pyrrolidone (NMEP) in ethanol at 70 °C was conducted to produce a series of PNMEP homopolymers with mean degrees of polymerization (DP) varying from 31 to 467. Turbidimetry was used to assess their inverse temperature solubility behavior in dilute aqueous solution, with an LCST of approximately 55 °C being observed in the high molecular weight limit. Then a poly(glycerol monomethacylate) (PGMA) macro-CTA with a mean DP of 63 was chain-extended with NMEP using a RAFT aqueous dispersion polymerization formulation at 70 °C. The target PNMEP DP was systematically varied from 100 up to 6000 to generate a series of PGMA 63 -PNMEP x diblock copolymers. High conversions (≥92%) could be achieved when targeting up to x = 5000. GPC analysis confirmed high blocking efficiencies and a linear evolution in M n with increasing PNMEP DP. A gradual increase in M w / M n was also observed when targeting higher DPs. However, this problem could be minimized ( M w / M n RAFT aqueous dispersion polymerization of NMEP was approximately four times faster than the RAFT solution polymerization of NMEP in ethanol when targeting the same DP in each case. This is perhaps surprising because both 1 H NMR and SAXS studies indicate that the core-forming PNMEP chains remain relatively solvated at 70 °C in the latter formulation. Moreover, dissolution of the initial PGMA 63 -PNMEP x particles occurs on cooling from 70 to 20 °C as the PNMEP block passes through its LCST. Hence this RAFT aqueous dispersion polymerization formulation offers an efficient route to a high molecular weight water-soluble polymer in a rather convenient low-viscosity form. Finally, the relatively expensive PGMA macro-CTA was replaced with a poly(methacrylic acid) (PMAA) macro-CTA. High conversions were also achieved for PMAA 85 -PNMEP x diblock copolymers prepared via RAFT aqueous dispersion polymerization for x ≤ 4000. Again, better control was achieved when

Multi-component bi-Hamiltonian Dirac integrable equations

Energy Technology Data Exchange (ETDEWEB)

Ma Wenxiu [Department of Mathematics and Statistics, University of South Florida, Tampa, FL 33620-5700 (United States)], E-mail: mawx@math.usf.edu

2009-01-15

A specific matrix iso-spectral problem of arbitrary order is introduced and an associated hierarchy of multi-component Dirac integrable equations is constructed within the framework of zero curvature equations. The bi-Hamiltonian structure of the obtained Dirac hierarchy is presented be means of the variational trace identity. Two examples in the cases of lower order are computed.

The Morphology of Emulsion Polymerized Latex Particles

Science.gov (United States)

Wignall, G. D.; Ramakrishnan, V. R.; Linne, M. A.; Klein, A.; Sperling, L. H.; Wai, M. P.; Gelman, R. A.; Fatica, M. G.; Hoerl, R. H.; Fisher, L. W.

1987-11-01

Under monomer starved feed conditions, emulsion polymerization of perdeuterated methyl methacrylate and styrene in the presence of preformed polymethylmethacrylate latexes resulted in particles with a core-shell morphology, as determined by small-angle neutron scattering (SANS) analysis for a hollow sphere. The locus of polymerization of the added deuterated monomer is therefore at the particle surface. In similar measurements a statistical copolymer of styrene and methyl methacrylate was used as seed particles for further polymerization of trideuteromethyl methacrylate. The resulting polymer latex was again shown to have a core-shell morphological structure as determined by SANS. SANS experiments were also undertaken on polystyrene latexes polymerized by equilibrium swelling methods, with deuterated polymer forming the first or second step. The experiments covered a molecular weight range of 6 x 10{sup 4} 10{sup 6} the molecular weights are consistent with the experimental errors, indicating that the deuterium labeled molecules are randomly distributed in the latex. These results led to the finding that the polymer chains were constrained in the latex particles by factors of 2 to 4 from the relaxed coil dimensions. For M molecules. Several models were examined, including the possible development of core-shell structures at lower molecular weights.

Isocyanide based multi component reactions in combinatorial chemistry.

NARCIS (Netherlands)

Dömling, A.

1998-01-01

Although usually regarded as a recent development, the combinatorial approach to the synthesis of libraries of new drug candidates was first described as early as 1961 using the isocyanide-based one-pot multicomponent Ugi reaction. Isocyanide-based multi component reactions (MCR's) markedly differ

Multi-component Wronskian solution to the Kadomtsev-Petviashvili equation

Science.gov (United States)

Xu, Tao; Sun, Fu-Wei; Zhang, Yi; Li, Juan

2014-01-01

It is known that the Kadomtsev-Petviashvili (KP) equation can be decomposed into the first two members of the coupled Ablowitz-Kaup-Newell-Segur (AKNS) hierarchy by the binary non-linearization of Lax pairs. In this paper, we construct the N-th iterated Darboux transformation (DT) for the second- and third-order m-coupled AKNS systems. By using together the N-th iterated DT and Cramer's rule, we find that the KPII equation has the unreduced multi-component Wronskian solution and the KPI equation admits a reduced multi-component Wronskian solution. In particular, based on the unreduced and reduced two-component Wronskians, we obtain two families of fully-resonant line-soliton solutions which contain arbitrary numbers of asymptotic solitons as y → ∓∞ to the KPII equation, and the ordinary N-soliton solution to the KPI equation. In addition, we find that the KPI line solitons propagating in parallel can exhibit the bound state at the moment of collision.

Survey and research on precision polymerization polymeric materials; Seimitsu jugo kobunshi zairyo ni kansuru chosa kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-03-01

Survey and research on the precision control of primary structure of polymeric materials and the precision evaluation technology have been conducted to develop advanced polymeric materials. It is proposed that the three basic processes of polymer synthesis, i.e., addition, condensation, and biomimesis, in forming the precision polymerization skeleton are to be covered through a centralized joint research effort with participation of industry, academia, and the government institute and under the leadership of researchers from academic institutions as the team leaders. For the study of technology trends, international conferences held in UK, Germany, and Hawaii are introduced, and domestic meetings, i.e., Annual Polymer Congress and Polymer Conference, are summarized. In addition, Precision Polymerization Forum and International Workshop on Precision Polymerization were held. The basic studies include a quantum-chemical elucidation of the elementary process in polymerization reaction, time-resolved analysis of polymerization process and polymer properties, synthesis of polymers with controlled microstructures by coordination polymerization using metal complexes, synthesis of polymer with controlled microstructures by precision polycondensation, molecular recognition in catalyst-reaction site, and synthesis of imprinting polymers. 246 refs., 117 figs., 14 tabs.

Simultaneous multi-component seismic denoising and reconstruction via K-SVD

Science.gov (United States)

Hou, Sian; Zhang, Feng; Li, Xiangyang; Zhao, Qiang; Dai, Hengchang

2018-06-01

Data denoising and reconstruction play an increasingly significant role in seismic prospecting for their value in enhancing effective signals, dealing with surface obstacles and reducing acquisition costs. In this paper, we propose a novel method to denoise and reconstruct multicomponent seismic data simultaneously. This method lies within the framework of machine learning and the key points are defining a suitable weight function and a modified inner product operator. The purpose of these two processes are to perform missing data machine learning when the random noise deviation is unknown, and building a mathematical relationship for each component to incorporate all the information of multi-component data. Two examples, using synthetic and real multicomponent data, demonstrate that the new method is a feasible alternative for multi-component seismic data processing.

Effect of polymer type on characterization and filtration performances of multi-walled carbon nanotubes (MWCNT)-COOH-based polymeric mixed matrix membranes.

Science.gov (United States)

Sengur-Tasdemir, Reyhan; Mokkapati, Venkata R S S; Koseoglu-Imer, Derya Y; Koyuncu, Ismail

2018-05-01

Multi-walled carbon nanotubes (MWCNTs) can be used for the fabrication of mixed matrix polymeric membranes that can enhance filtration perfomances of the membranes by modifying membrane surface properties. In this study, detailed characterization and filtration performances of MWCNTs functionalized with COOH group, blended into polymeric flat-sheet membranes were investigated using different polymer types. Morphological characterization was carried out using atomic force microscopy, scanning electron microscopy and contact angle measurements. For filtration performance tests, protein, dextran, E. coli suspension, Xanthan Gum and real activated sludge solutions were used. Experimental data and analyses revealed that Polyethersulfone (PES) + MWCNT-COOH mixed matrix membranes have superior performance abilities compared to other tested membranes.

Time-dependent density functional theory for multi-component systems

International Nuclear Information System (INIS)

Tiecheng Li; Peiqing Tong

1985-10-01

The Runge-Gross version of Hohenberg-Kohn-Sham's density functional theory is generalized to multi-component systems, both for arbitrary time-dependent pure states and for arbitrary time-dependent ensembles. (author)

Role of the polymeric hole injection layer on the efficiency and stability of organic light emitting diodes with small molecular emitters

International Nuclear Information System (INIS)

Chin, Byung Doo

2008-01-01

In this paper, an improvement in the properties of the small molecular organic light emitting diode (OLED) upon application of a polymeric hole injection layer (HIL) was reported. The luminous efficiency, operating voltage and lifetime of devices with dye-doped small molecule emitters (fluorescent and phosphorescent) were found to be sensitive to the HIL/hole transport layer (HTL) combination used, where the improved injection and brightness was shown at the hole cascading structure and the longer lifetime behaviour was obtained at the hole-trapping structure. Use of a polymeric HIL significantly increased the luminous current efficiency and lifetime for both fluorescent blue and phosphorescent green/red light emitters. The polymeric HIL was effective in terms of the driving characteristics of phosphorescent OLED, since it provides higher brightness behaviour at lower current density. The apparent shade of the pixel image at light emission, which will probably induce degradation at the pixel wall interface, will be suppressed by the use of polymeric HIL. In spite of the ambiguity in the formation of such shaded pixels and their influence at the decay of OLED, intrinsic stability of polymeric HIL/anode would be advantageous for stable storage and operation of devices.

Modeling keV particle interactions with molecular and polymeric samples

International Nuclear Information System (INIS)

Delcorte, Arnaud

2005-01-01

Organic surfaces are locally submitted to extreme, out of equilibrium conditions when they are bombarded by kiloelectronvolt particles (atoms, ions, clusters). The time scale of the energy transfer is from tens of femtoseconds to several picoseconds depending on the material and the average energy per atom in the energized volume is of the order of a few eV, i.e. sufficient to break bonds in the solid. As a result, atoms, molecules and their fragments are released in the gas phase, which makes sputtering/desorption methods useful for surface treatment (ion beam patterning) and analysis (mass spectrometry). The radicals created in the sample also induce branching and cross-linking reactions that can be useful for surface modification purposes. Molecular dynamics simulations have provided an invaluable help for the elucidation of keV particle-induced processes in organic overlayers and, most recently, bulk materials. In this review, I illustrate the various mechanisms at play using case studies taken from our recent investigations and from the literature. They include the Ar-induced sputtering of a large polymeric molecule on a metal substrate and a molecular sample made of polystyrene oligomers. The emphasis is placed on the understanding of the energy transfer processes in the disturbed surface region and the mechanisms of molecule desorption, fragmentation and recombination, crucial for ion beam-based analytical methods

Studies on Rate Enhancement of Polymerization in NMRP

Institute of Scientific and Technical Information of China (English)

HUANG Jian-ying; XU Miao-qing; YAN Ming-fa; CHEN Yi-hong; CHU Jia-yan; ZHUANG Jia-ming; DAI Li-zong; ZOU You-si

2005-01-01

In NMRP, the polymerization of MMA, the polymerization of St and the copolymerization of MMA with St were distinctly accelerated by the addition of a small amount of MN. The polymerization proceeds in a living fashion as indicated by the increase in molecular weight with the increase of time and conversion and a relatively low polydispersity. It has been found that the addition of MN results in a nearly one hundred times higher rate of the polymerization of MMA, a nearly twenty times higher rate of the polymerization of St and a nearly fifteen times higher rate of the copolymerization of St and MMA.

Synthesis of acrylated palm oil nanoparticles using microemulsion polymerization initiated by gamma ray

International Nuclear Information System (INIS)

Rida Tajau; Wan Md Zin Wan Yunus; Khairul Zaman Mohd Dahlan; Mohd Hilmi Mahmood; Kamaruddin Hashim; Sim, Flora; Sharila Muhd Faizal

2010-01-01

The use of microemulsion in the development of nanoparticle based on acrylated palm oil product is demonstrated. The microemulsion polymerization was initiated by gamma ray for synthesizing crosslinked nanoparticle. Polymerization of acrylated palm oil in three-component ionic microemulsions was prepared with sodium dodecyl sulphate (SDS) and water. The resulted nanoparticle, before and after initiated by gamma ray, were evaluated in terms of particle diameter, surface charge and molecular structure. Type and concentration of surfactants, monomer concentration, radiation dose and time of storage strongly affected the size, charge and size stability of the particles. For the development of new microscopic polymer acrylated palm oil can be synthesized into nano sized particle and it has potential to be developed in medical devices and controlled-drug-release-applications. (author)

Molecularly imprinted electrochemical biosensor based on Fe@Au nanoparticles involved in 2-aminoethanethiol functionalized multi-walled carbon nanotubes for sensitive determination of cefexime in human plasma.

Science.gov (United States)

Yola, Mehmet Lütfi; Eren, Tanju; Atar, Necip

2014-10-15

The molecular imprinting technique depends on the molecular recognition. It is a polymerization method around the target molecule. Hence, this technique creates specific cavities in the cross-linked polymeric matrices. In present study, a sensitive imprinted electrochemical biosensor based on Fe@Au nanoparticles (Fe@AuNPs) involved in 2-aminoethanethiol (2-AET) functionalized multi-walled carbon nanotubes (f-MWCNs) modified glassy carbon (GC) electrode was developed for determination of cefexime (CEF). The results of X-ray photoelectron spectroscopy (XPS) and reflection-absorption infrared spectroscopy (RAIRS) confirmed the formation of the developed surfaces. CEF imprinted film was constructed by cyclic voltammetry (CV) for 9 cycles in the presence of 80 mM pyrrole in phosphate buffer solution (pH 6.0) containing 20mM CEF. The developed electrochemical biosensor was validated according to the International Conference on Harmonisation (ICH) guideline and found to be linear, sensitive, selective, precise and accurate. The linearity range and the detection limit were obtained as 1.0 × 10(-10)-1.0 × 10(-8)M and 2.2 × 10(-11)M, respectively. The developed CEF imprinted sensor was successfully applied to real samples such as human plasma. In addition, the stability and reproducibility of the prepared molecular imprinted electrode were investigated. The excellent long-term stability and reproducibility of the prepared CEF imprinted electrodes make them attractive in electrochemical sensors. Copyright © 2014 Elsevier B.V. All rights reserved.

Laser Beam Melting of Multi-Material Components

Science.gov (United States)

Laumer, Tobias; Karg, Michael; Schmidt, Michael

First results regarding the realisation of multi-material components manufactured by Laser Beam Melting of polymers and metals are published. For realising composite structures from polymer powders by additive manufacturing, at first relevant material properties regarding compatibility have to be analysed. The paper shows the main requirements for compatibility between different materials and offers first results in form of a compatibility matrix of possible combinations for composite structures. For achieving gradient properties of additively manufactured metal parts by using composite materials the composition of alloying components in the powder and adapted process strategies are varied. As an alternative to atomizing pre-alloyed materials, mixtures of different powders are investigated.

Pressure-induced polymerization of P(CN){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gou, Huiyang, E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu; Kim, Duck Young; Strobel, Timothy A., E-mail: hgou@ciw.edu, E-mail: tstrobel@ciw.edu [Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, NW, Washington, DC 20015 (United States); Yonke, Brendan L. [NRC Postdoctoral Associate, Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Epshteyn, Albert [Naval Research Laboratory, 4555 Overlook Ave., SW, Washington, DC 20375 (United States); Smith, Jesse S. [High Pressure Collaborative Access Team, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439 (United States)

2015-05-21

Motivated to explore the formation of novel extended carbon-nitrogen solids via well-defined molecular precursor pathways, we studied the chemical reactivity of highly pure phosphorous tricyanide, P(CN){sub 3}, under conditions of high pressure at room temperature. Raman and infrared (IR) spectroscopic measurements reveal a series of phase transformations below 10 GPa, and several low-frequency vibrational modes are reported for the first time. Synchrotron powder X-ray diffraction measurements taken during compression show that molecular P(CN){sub 3} is highly compressible, with a bulk modulus of 10.0 ± 0.3 GPa, and polymerizes into an amorphous solid above ∼10.0 GPa. Raman and IR spectra, together with first-principles molecular-dynamics simulations, show that the amorphization transition is associated with polymerization of the cyanide groups into CN bonds with predominantly sp{sup 2} character, similar to known carbon nitrides, resulting in a novel phosphorous carbon nitride (PCN) polymeric phase, which is recoverable to ambient pressure.

Selective separation of lambdacyhalothrin by porous/magnetic molecularly imprinted polymers prepared by Pickering emulsion polymerization.

Science.gov (United States)

Hang, Hui; Li, Chunxiang; Pan, Jianming; Li, Linzi; Dai, Jiangdong; Dai, Xiaohui; Yu, Ping; Feng, Yonghai

2013-10-01

Porous/magnetic molecularly imprinted polymers (PM-MIPs) were prepared by Pickering emulsion polymerization. The reaction was carried out in an oil/water emulsion using magnetic halloysite nanotubes as the stabilizer instead of a toxic surfactant. In the oil phase, the imprinting process was conducted by radical polymerization of functional and cross-linked monomers, and porogen chloroform generated steam under the high reaction temperature, which resulted in some pores decorated with easily accessible molecular binding sites within the as-made PM-MIPs. The characterization demonstrated that the PM-MIPs were porous and magnetic inorganic-polymer composite microparticles with magnetic sensitivity (M(s) = 0.7448 emu/g), thermal stability (below 473 K) and magnetic stability (over the pH range of 2.0-8.0). The PM-MIPs were used as a sorbent for the selective binding of lambdacyhalothrin (LC) and rapidly separated under an external magnetic field. The Freundlich isotherm model gave a good fit to the experimental data. The adsorption kinetics of the PM-MIPs was well described by pseudo-second-order kinetics, indicating that the chemical process could be the rate-limiting step in the adsorption of LC. The selective recognition experiments exhibited the outstanding selective adsorption effect of the PM-MIPs for target LC. Moreover, the PM-MIPs regeneration without significant loss in adsorption capacity was demonstrated by at least four repeated cycles. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

Science.gov (United States)

Kou, Jisheng; Sun, Shuyu

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

KAUST Repository

Kou, Jisheng

2016-05-10

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests

Multi-level and Multi-component Bitmap Encoding for Efficient Search Operations

Directory of Open Access Journals (Sweden)

Madhu BHAN, Department of Computer Applications

2012-12-01

Full Text Available The growing interest in data warehousing for decision makers is becoming more and more crucial to make faster and efficient decisions. On-line decision needs short response times. Many indexing techniques have been created to achieve this goal in read only environments. Indexing technique that has attracted attention in multidimensional databases is Bitmap Indexing. The paper discusses the various existing bitmap indexing techniques along with their performance characteristics. The paper proposes two new bitmap indexing techniques in the class of multi-level and multi-component encoding schemes and prove that the two techniques have better space–time performance than some of the existing techniques used for range queries. We provide an analytical model for comparing the performance of our proposed encoding schemes with that of the existing ones.

MULTI: a shared memory approach to cooperative molecular modeling.

Science.gov (United States)

Darden, T; Johnson, P; Smith, H

1991-03-01

A general purpose molecular modeling system, MULTI, based on the UNIX shared memory and semaphore facilities for interprocess communication is described. In addition to the normal querying or monitoring of geometric data, MULTI also provides processes for manipulating conformations, and for displaying peptide or nucleic acid ribbons, Connolly surfaces, close nonbonded contacts, crystal-symmetry related images, least-squares superpositions, and so forth. This paper outlines the basic techniques used in MULTI to ensure cooperation among these specialized processes, and then describes how they can work together to provide a flexible modeling environment.

Preparation of Bottlebrush Polymers via a One-Pot Ring-Opening Polymerization (ROP) and Ring-Opening Metathesis Polymerization (ROMP) Grafting-Through Strategy.

Science.gov (United States)

Radzinski, Scott C; Foster, Jeffrey C; Matson, John B

2016-04-01

Bottlebrush polymers are synthesized using a tandem ring-opening polymerization (ROP) and ring-opening metathesis polymerization (ROMP) strategy. For the first time, ROP and ROMP are conducted sequentially in the same pot to yield well-defined bottlebrush polymers with molecular weights in excess of 10(6) Da. The first step of this process involves the synthesis of a polylactide macromonomer (MM) via ROP of d,l-lactide initiated by an alcohol-functionalized norbornene. ROMP grafting-through is then carried out in the same pot to produce the bottlebrush polymer. The applicability of this methodology is evaluated for different MM molecular weights and bottlebrush backbone degrees of polymerization. Size-exclusion chromatographic and (1)H NMR spectroscopic analyses confirm excellent control over both polymerization steps. In addition, bottlebrush polymers are imaged using atomic force microscopy and stain-free transmission electron microscopy on graphene oxide. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

KAUST Repository

Kou, Jisheng; Sun, Shuyu

2016-01-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic

Two New Multi-component BKP Hierarchies

International Nuclear Information System (INIS)

Wu Hongxia; Liu Xiaojun; Zeng Yunbo

2009-01-01

We firstly propose two kinds of new multi-component BKP (mcBKP) hierarchy based on the eigenfunction symmetry reduction and nonstandard reduction, respectively. The first one contains two types of BKP equation with self-consistent sources whose Lax representations are presented. The two mcBKP hierarchies both admit reductions to the k-constrained BKP hierarchy and to integrable (1+1)-dimensional hierarchy with self-consistent sources, which include two types of SK equation with self-consistent sources and of bi-directional SK equations with self-consistent sources.

Diffusion of elements and vacancies in multi-component systems

Czech Academy of Sciences Publication Activity Database

Fischer, F. D.; Svoboda, Jiří

2014-01-01

Roč. 60, MAR (2014), s. 338-367 ISSN 0079-6425 Institutional support: RVO:68081723 Keywords : multi-component diffusion * vacancy activity * manning theory * stress-driven diffusion Subject RIV: BJ - Thermodynamics Impact factor: 27.417, year: 2014

Thermoresponsive Poly(2-oxazoline) Molecular Brushes by Living Ionic Polymerization: Kinetic Investigations of Pendant Chain Grafting and Cloud Point Modulation by Backbone and Side Chain Length Variation

KAUST Repository

Zhang, Ning

2012-04-17

Molecular brushes of poly(2-oxazoline)s were prepared by living anionic polymerization of 2-iso-propenyl-2-oxazoline to form the backbone and subsequent living cationic ring-opening polymerization of 2-n- or 2-iso-propyl-2-oxazoline for pendant chain grafting. In situ kinetic studies indicate that the initiation efficiency and polymerization rates are independent from the number of initiator functions per initiator molecule. This was attributed to the high efficiency of oxazolinium salt and the stretched conformation of the backbone, which is caused by the electrostatic repulsion of the oxazolinium moieties along the macroinitiator. The resulting molecular brushes showed thermoresponsive properties, that is, having a defined cloud point (CP). The dependence of the CP as a function of backbone and side chain length as well as concentration was studied. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanoparticles from a controlled polymerization process

International Nuclear Information System (INIS)

Tirumala, V.R.; Caneba, G.T.; Dar, Y.; Wang, H.-H.; Mancini, D.C.

2003-01-01

Free-radical retrograde precipitation polymerization process in the past has shown excellent control characteristics over reaction rate, molecular weight, and in the entrapment of live radicals for the generation of block copolymers. The same principle has now been extended to study the reaction confinement to a nanoscale region. Nanosized polymer particles have been reported to form from block copolymers, conventional precipitation polymerization methods, or through emulsion polymerization approaches. In this work, we present a new method of generating nanosized polymer particles by polymerizing the monomer in an environment that precipitates the polymer above the lower critical solution temperature. The nanoparticles have been characterized by both tapping-mode atomic force microscopy observations and in situ synchrotron time-resolved small-angle X-ray scattering analysis. The results from both the techniques showed the formation of nanoparticles in the size range of 15-30 nm, directly from the polymerization process.

Connected Component Model for Multi-Object Tracking.

Science.gov (United States)

He, Zhenyu; Li, Xin; You, Xinge; Tao, Dacheng; Tang, Yuan Yan

2016-08-01

In multi-object tracking, it is critical to explore the data associations by exploiting the temporal information from a sequence of frames rather than the information from the adjacent two frames. Since straightforwardly obtaining data associations from multi-frames is an NP-hard multi-dimensional assignment (MDA) problem, most existing methods solve this MDA problem by either developing complicated approximate algorithms, or simplifying MDA as a 2D assignment problem based upon the information extracted only from adjacent frames. In this paper, we show that the relation between associations of two observations is the equivalence relation in the data association problem, based on the spatial-temporal constraint that the trajectories of different objects must be disjoint. Therefore, the MDA problem can be equivalently divided into independent subproblems by equivalence partitioning. In contrast to existing works for solving the MDA problem, we develop a connected component model (CCM) by exploiting the constraints of the data association and the equivalence relation on the constraints. Based upon CCM, we can efficiently obtain the global solution of the MDA problem for multi-object tracking by optimizing a sequence of independent data association subproblems. Experiments on challenging public data sets demonstrate that our algorithm outperforms the state-of-the-art approaches.

KINETICS OF SUSPENDED EMULSION POLYMERIZATION OF METHYL METHACRYLATE

Institute of Scientific and Technical Information of China (English)

Yong-zhong Bao; Cheng-xi Wang; Zhi-ming Huang; Zhi-xue Weng

2004-01-01

The kinetics of suspended emulsion polymerization of methyl methacrylate (MMA), in which water acted as the dispersed phase and the mixture of MMA and cyclohexane as the continuous phase, was investigated. It showed that the initial polymerization rate (Rp0) and steady-state polymerization rate (Rp) were proportional to the mass ratio between water and oil phase, and increased as the polymerization temperature, the potassium persulphate concentration ([I]) and the Tween20 emulsifier concentration ([S]) increased. The relationships between the polymerization rate and [I] and [S] were obtained as follows: Rp0 ∝ [I]0.73[S]0.32 and Rp ∝ [I]0.71[S]0.23. The above exponents were close to those obtained from normal MMA emulsion polymerization. It also showed that the average molecular weight of the resulting poly(methyl methacrylate) decreased as the polymerization temperature, [I] and [S] increased. Thus, MMA suspended emulsion polymerization could be considered as a combination of many miniature emulsion polymerizations proceeding in water drops and obeyed the classical kinetics of MMA emulsion polymerization.

The development of a revised version of multi-center molecular Ornstein-Zernike equation

Science.gov (United States)

Kido, Kentaro; Yokogawa, Daisuke; Sato, Hirofumi

2012-04-01

Ornstein-Zernike (OZ)-type theory is a powerful tool to obtain 3-dimensional solvent distribution around solute molecule. Recently, we proposed multi-center molecular OZ method, which is suitable for parallel computing of 3D solvation structure. The distribution function in this method consists of two components, namely reference and residue parts. Several types of the function were examined as the reference part to investigate the numerical robustness of the method. As the benchmark, the method is applied to water, benzene in aqueous solution and single-walled carbon nanotube in chloroform solution. The results indicate that fully-parallelization is achieved by utilizing the newly proposed reference functions.

Radiation initiated polymerization of trioxane and stabilization of polyoxymethylene

International Nuclear Information System (INIS)

Rao, M.H.; Ramanan, G.; Kunjappu, J.T.; Rao, K.N.

1990-01-01

Gamma ray induced polymerization of trioxane from an indigenous source (M/s. Nuchem Plastics, Faridabad) has been investigated by both in-source and post polymerization techniques. Impurity levels in the trioxane samples are determined and compared with those in an imported material. Critical evaluation of the results of its purification by different methods, viz. treatment with molecular sieves, crystallization from solvents and their variations, has been carried out prior to optimising the conditions of polymerization. A novel but simple purification procedure employing benzene as the solvent which is found to form a ternary azeotrope with trioxane and water has been developed. The effect of these purification methods on the polymerization efficiency and their dependence on the molecular weight of the polymer formed are also discussed. Experimental details of polymerizing trioxane in 10 kg scale are also described. To improve upon the thermal stabilty of the polyoxymethylene thus formed, protection of the free hydroxyl end groups (end-capping) has been achieved by an acetylation procedure using acetic anhydride in presence of catalytic amounts of sodium acetate. (author). 11 tabs., 4 figs

Monte Carlo simulation on kinetics of batch and semi-batch free radical polymerization

KAUST Repository

Shao, Jing

2015-10-27

Based on Monte Carlo simulation technology, we proposed a hybrid routine which combines reaction mechanism together with coarse-grained molecular simulation to study the kinetics of free radical polymerization. By comparing with previous experimental and simulation studies, we showed the capability of our Monte Carlo scheme on representing polymerization kinetics in batch and semi-batch processes. Various kinetics information, such as instant monomer conversion, molecular weight, and polydispersity etc. are readily calculated from Monte Carlo simulation. The kinetic constants such as polymerization rate k p is determined in the simulation without of “steady-state” hypothesis. We explored the mechanism for the variation of polymerization kinetics those observed in previous studies, as well as polymerization-induced phase separation. Our Monte Carlo simulation scheme is versatile on studying polymerization kinetics in batch and semi-batch processes.

ARP1400 DVI break analysis using the MARS 3.1 multi-D component

International Nuclear Information System (INIS)

Hwang, Moon-Kyu; Lim, Hong-Sik; Lee, Seung-Wook; Bae, Sung-Won; Chung, Bub-Dong

2006-01-01

The current version of MARS 3.1 has a multi-D component intended to simulate an asymmetric multidimensional fluid behavior in a reactor core, downcomer or in a steam generator, in a more realistic manner. The feature is implemented in the 1-D module of the code. As opposed to the cross flow junction modeling, the multi-D component allows for a lateral momentum transfer as well as a sheer stress. Thus, a full three-Dimensional analysis capability is available as in the case of RELAP5-3D or CATHARE. In this study the multi-D component is applied to the hypothetical accident of a DVI (Direct Vessel Injection) break in the APR1400 plant, and the results are analyzed

Experimental study of living free radical polymerization using trifunctional initiator and polymerization mediated by nitroxide

International Nuclear Information System (INIS)

Galhardo, Eduardo; Lona, Liliane M.F.

2009-01-01

Controlled free radical polymerization or living free radical polymerization has received increasing attention as a technique for the production of polymers with microstructure highly controlled. In particular, narrow molecular weight distributions are obtained with polydispersity very close to one. In this research it was investigate the controlled polymerization mediated by nitroxide, using a cyclic trifunctional peroxide. As long as we know, there are only publications in literature dealing with NMRP using mono- and bi-functional initiators. It was believed that the trifunctional peroxide can increase the rate of polymerization, since more free radicals are generated, if compared with initiators with lower functionality. Furthermore, the fact of the initiator be cyclic means that branches are not generated in the chains, which theoretically prevents an increase in polydispersity of the polymer. The effect of the dissociation constant of the trifunctional initiator in the velocity of the reaction was analyzed. (author)

Forward modelling of multi-component induction logging tools in layered anisotropic dipping formations

International Nuclear Information System (INIS)

Gao, Jie; Xu, Chenhao; Xiao, Jiaqi

2013-01-01

Multi-component induction logging provides great assistance in the exploration of thinly laminated reservoirs. The 1D parametric inversion following an adaptive borehole correction is the key step in the data processing of multi-component induction logging responses. To make the inversion process reasonably fast, an efficient forward modelling method is necessary. In this paper, a modelling method has been developed to simulate the multi-component induction tools in deviated wells drilled in layered anisotropic formations. With the introduction of generalized reflection coefficients, the analytic expressions of magnetic field in the form of a Sommerfeld integral were derived. The fast numerical computation of the integral has been completed by using the fast Fourier–Hankel transform and fast Hankel transform methods. The latter is so time efficient that it is competent enough for real-time multi-parameter inversion. In this paper, some simulated results have been presented and they are in excellent agreement with the finite difference method code's solution. (paper)

Motion of curves and solutions of two multi-component mKdV equations

International Nuclear Information System (INIS)

Yao Ruoxia; Qu Changzheng; Li Zhibin

2005-01-01

Two classes of multi-component mKdV equations have been shown to be integrable. One class called the multi-component geometric mKdV equation is exactly the system for curvatures of curves when the motion of the curves is governed by the mKdV flow. In this paper, exact solutions including solitary wave solutions of the two- and three-component mKdV equations are obtained, the symmetry reductions of the two-component geometric mKdV equation to ODE systems corresponding to it's Lie point symmetry groups are also given. Curves and their behavior corresponding to solitary wave solutions of the two-component geometric mKdV equation are presented

A new multi-objective optimization model for preventive maintenance and replacement scheduling of multi-component systems

Science.gov (United States)

Moghaddam, Kamran S.; Usher, John S.

2011-07-01

In this article, a new multi-objective optimization model is developed to determine the optimal preventive maintenance and replacement schedules in a repairable and maintainable multi-component system. In this model, the planning horizon is divided into discrete and equally-sized periods in which three possible actions must be planned for each component, namely maintenance, replacement, or do nothing. The objective is to determine a plan of actions for each component in the system while minimizing the total cost and maximizing overall system reliability simultaneously over the planning horizon. Because of the complexity, combinatorial and highly nonlinear structure of the mathematical model, two metaheuristic solution methods, generational genetic algorithm, and a simulated annealing are applied to tackle the problem. The Pareto optimal solutions that provide good tradeoffs between the total cost and the overall reliability of the system can be obtained by the solution approach. Such a modeling approach should be useful for maintenance planners and engineers tasked with the problem of developing recommended maintenance plans for complex systems of components.

Multi-level molecular modelling for plasma medicine

International Nuclear Information System (INIS)

Bogaerts, Annemie; Khosravian, Narjes; Van der Paal, Jonas; Verlackt, Christof C W; Yusupov, Maksudbek; Kamaraj, Balu; Neyts, Erik C

2016-01-01

Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in plasma medicine. This paper gives an overview of different atomic/molecular scale modelling approaches that can be used to study the direct interaction of plasma species with biomolecules or the consequences of these interactions for the biomolecules on a somewhat longer time-scale. These approaches include density functional theory (DFT), density functional based tight binding (DFTB), classical reactive and non-reactive molecular dynamics (MD) and united-atom or coarse-grained MD, as well as hybrid quantum mechanics/molecular mechanics (QM/MM) methods. Specific examples will be given for three important types of biomolecules, present in human cells, i.e. proteins, DNA and phospholipids found in the cell membrane. The results show that each of these modelling approaches has its specific strengths and limitations, and is particularly useful for certain applications. A multi-level approach is therefore most suitable for obtaining a global picture of the plasma–biomolecule interactions. (paper)

Polymeric Nanomedicine for Cancer MR Imaging and Drug Delivery

OpenAIRE

Khemtong, Chalermchai; Kessinger, Chase W.; Gao, Jinming

2009-01-01

Multifunctional nanomedicine is emerging as a highly integrated platform that allows for molecular diagnosis, targeted drug delivery, and simultaneous monitoring and treatment of cancer. Advances in polymer and materials science are critical for the successful development of these multi-component nanocomposites in one particulate system with such a small size confinement (

TECHNOLOGY FOR EFFICIENT USAGE OF HYDROCARBON-CONTAINING WASTE IN PRODUCTION OF MULTI-COMPONENT SOLID FUEL

Directory of Open Access Journals (Sweden)

B. M. Khroustalev

2016-01-01

Full Text Available The paper considers modern approaches to usage of hydrocarbon-containing waste as energy resources and presents description of investigations, statistic materials, analysis results on formation of hydrocarbon-containing waste in the Republic of Belarus. Main problems pertaining to usage of waste as a fuel and technologies for their application have been given in the paper. The paper describes main results of the investigations and a method for efficient application of viscous hydrocarbon-containing waste as an energy-packed component and a binding material while producing a solid fuel. A technological scheme, a prototype industrial unit which are necessary to realize a method for obtaining multi-component solid fuel are represented in the paper. A paper also provides a model of technological process with efficient sequence of technological operations and parameters of optimum component composition. Main factors exerting significant structure-formation influence in creation of structural composition of multi-component solid fuel have been presented in the paper. The paper gives a graphical representation of the principle for selection of mixture particles of various coarseness to form a solid fuel while using a briquetting method and comprising viscous hydrocarbon-containing waste. A dependence of dimensionless concentration g of emissions into atmosphere during burning of two-component solid fuel has been described in the paper. The paper analyzes an influence of the developed methodology for emission calculation of multi-component solid fuels and reveals a possibility to optimize the component composition in accordance with ecological function and individual peculiar features of fuel-burning equipment. Special features concerning storage and transportation, advantages and disadvantages, comparative characteristics, practical applicability of the developed multi-component solid fuel have been considered and presented in the paper. The paper

Multi-component transport in polymers: hydrocarbon / hydrogen separation by reverse selectivity membrane; Transport multi-composants dans les polymeres: separation hydrocarbures / hydrogene par membrane a selectivite inverse

Energy Technology Data Exchange (ETDEWEB)

Mauviel, G.

2003-12-15

Hydrogen separation by reverse selectivity membranes is investigated. The first goal is to develop materials showing an increased selectivity. Silicone membranes loaded with inorganic fillers have been prepared, but the expected enhancement is not observed. The second goal is to model the multi- component transport through rubbers. Indeed the permeability model is not able to predict correctly permeation when a vapour is present. Thus many phenomena have to be considered: diffusional inter-dependency, sorption synergy, membrane swelling and drag effect. The dependence of diffusivities with the local composition is modelled according to free-volume theory. The model resolution allows to predict the permeation flow-rates of mixed species from their pure sorption and diffusion data. For the systems under consideration, the diffusional inter-dependency is shown to be preponderant. Besides, sorption synergy importance is pointed out, whereas it is most often neglected. (author)

Zener solutions for particle growth in multi-component alloys

NARCIS (Netherlands)

Vermolen, F.J.

2006-01-01

In this paper the Zener theory on precipitate growth in supersaturated alloys for planar, cylindrical and spherical geometries is extended to multi-component alloys. The obtained solutions can be used to check the results from numerical simulations under simplified conditions. Further, the

Two- and Three-Component Visible Light Photoinitiating Systems for Radical Polymerization Based on Onium Salts: An Overview of Mechanistic and Laser Flash Photolysis Studies

Directory of Open Access Journals (Sweden)

María L. Gómez

2012-01-01

Full Text Available A review of our work on two- and-three component photoinitiator systems is presented. The emphasis is in on visible light polymerization in aqueous media. The systems discussed comprise a synthetic dye as sensitizer and an onium salt as coinitiator, or a dye-amine-onium salt with the amine as coinitiator and the onium salt as an enhancer of the polymerization efficiency. The effect of the composition of the system on the photopolymerization kinetics was analyzed. To this end, the photophysics and photochemistry of the dye under polymerization conditions was explored by means of stationary and time-resolved spectroscopic methods. Different dyes and onium salts were investigated. The action mechanism of the different photoinitiators systems is discussed.

Thermodynamic Modelling of Phase Transformation in a Multi-Component System

Science.gov (United States)

Vala, J.

2007-09-01

Diffusion in multi-component alloys can be characterized by the vacancy mechanism for substitutional components, by the existence of sources and sinks for vacancies and by the motion of atoms of interstitial components. The description of diffusive and massive phase transformation of a multi-component system is based on the thermodynamic extremal principle by Onsager; the finite thickness of the interface between both phases is respected. The resulting system of partial differential equations of evolution with integral terms for unknown mole fractions (and additional variables in case of non-ideal sources and sinks for vacancies), can be analyzed using the method of lines and the finite difference technique (or, alternatively, the finite element one) together with the semi-analytic and numerical integration formulae and with certain iteration procedure, making use of the spectral properties of linear operators. The original software code for the numerical evaluation of solutions of such systems, written in MATLAB, offers a chance to simulate various real processes of diffusional phase transformation. Some results for the (nearly) steady-state real processes in substitutional alloys have been published yet. The aim of this paper is to demonstrate that the same approach can handle both substitutional and interstitial components even in case of a general system of evolution.

Component Functional Allocations of the ESF Multi-loop Controller for the KNICS ESF-CCS Design

International Nuclear Information System (INIS)

Hur, Seop; Choi, Jong Kyun; Kim, Dong Hoon; Kim, Ho; Kim, Seong Tae

2006-01-01

The safety related components in nuclear power plants are traditionally controlled by single-loop controllers. Traditional single-loop controller systems utilize dedicated processors for each component but that components independence is compromised through a sharing of power supplies, auxiliary logic modules and auxiliary I/O cards. In the new design of the ESF-CCS, the multi-loop controllers with data networks are widely used. Since components are assigned to ESF-CCS functional groups in a manner consistent with their process relationship, the effects of the failures are predictable and manageable. Therefore, the key issues for the design of multi-loop controller is to allocate the components to the each multi-loop controller through plant and function analysis and grouping. This paper deals with an ESF component functional allocation which is performed through allocation criteria and a fault analysis

Analysis of a Multi-component Multi-stage Malaria Vaccine Candidate--Tackling the Cocktail Challenge.

Directory of Open Access Journals (Sweden)

Alexander Boes

Full Text Available Combining key antigens from the different stages of the P. falciparum life cycle in the context of a multi-stage-specific cocktail offers a promising approach towards the development of a malaria vaccine ideally capable of preventing initial infection, the clinical manifestation as well as the transmission of the disease. To investigate the potential of such an approach we combined proteins and domains (11 in total from the pre-erythrocytic, blood and sexual stages of P. falciparum into a cocktail of four different components recombinantly produced in plants. After immunization of rabbits we determined the domain-specific antibody titers as well as component-specific antibody concentrations and correlated them with stage specific in vitro efficacy. Using purified rabbit immune IgG we observed strong inhibition in functional in vitro assays addressing the pre-erythrocytic (up to 80%, blood (up to 90% and sexual parasite stages (100%. Based on the component-specific antibody concentrations we calculated the IC50 values for the pre-erythrocytic stage (17-25 μg/ml, the blood stage (40-60 μg/ml and the sexual stage (1.75 μg/ml. While the results underline the feasibility of a multi-stage vaccine cocktail, the analysis of component-specific efficacy indicates significant differences in IC50 requirements for stage-specific antibody concentrations providing valuable insights into this complex scenario and will thereby improve future approaches towards malaria vaccine cocktail development regarding the selection of suitable antigens and the ratios of components, to fine tune overall and stage-specific efficacy.

Efficient transfer of sensitivity information in multi-component models

International Nuclear Information System (INIS)

Abdel-Khalik, Hany S.; Rabiti, Cristian

2011-01-01

In support of adjoint-based sensitivity analysis, this manuscript presents a new method to efficiently transfer adjoint information between components in a multi-component model, whereas the output of one component is passed as input to the next component. Often, one is interested in evaluating the sensitivities of the responses calculated by the last component to the inputs of the first component in the overall model. The presented method has two advantages over existing methods which may be classified into two broad categories: brute force-type methods and amalgamated-type methods. First, the presented method determines the minimum number of adjoint evaluations for each component as opposed to the brute force-type methods which require full evaluation of all sensitivities for all responses calculated by each component in the overall model, which proves computationally prohibitive for realistic problems. Second, the new method treats each component as a black-box as opposed to amalgamated-type methods which requires explicit knowledge of the system of equations associated with each component in order to reach the minimum number of adjoint evaluations. (author)

Atrazine Molecular Imprinted Polymers: Comparative Analysis by Far-Infrared and Ultraviolet Induced Polymerization

Directory of Open Access Journals (Sweden)

Jun Chen

2014-01-01

Full Text Available Atrazine molecular imprinted polymers (MIPs were comparatively synthesized using identical polymer formulation by far-infrared (FIR radiation and ultraviolet (UV-induced polymerization, respectively. Equilibrium binding experiments were carried out with the prepared MIPs; the results showed that MIPuv possessed specific binding to atrazine compared with their MIPFIR radiation counterparts. Scatchard plot’s of both MIPs indicated that the affinities of the binding sites in MIPs are heterogeneous and can be approximated by two dissociation-constants corresponding to the high- and low-affinity binding sites. Moreover, several common pesticides including atrazine, cyromazine, metamitron, simazine, ametryn, terbutryn were tested to determine their specificity, similar imprinting factor (IF and different selectivity index (SI for both MIPs. Physical characterization of the polymers revealed that the different polymerization methods led to slight differences in polymer structures and performance by scanning electron microscope (SEM, Fourier transform infrared absorption (FT-IR, and mercury analyzer (MA. Finally, both MIPs were used as selective sorbents for solid phase extraction (SPE of atrazine from lake water, followed by high performance liquid chromatography (HPLC analysis. Compared with commercial C18 SPE sorbent (86.4%–94.8%, higher recoveries of atrazine in spiked lake water were obtained in the range of 90.1%–97.1% and 94.4%–101.9%, for both MIPs, respectively.

Performances of Multi-Level and Multi-Component Compressed BitmapIndices

Energy Technology Data Exchange (ETDEWEB)

Wu, Kesheng; Stockinger, Kurt; Shoshani, Arie

2007-04-30

This paper presents a systematic study of two large subsetsof bitmap indexing methods that use multi-component and multi-levelencodings. Earlier studies on bitmap indexes are either empirical or foruncompressed versions only. Since most of bitmap indexes in use arecompressed, we set out to study the performance characteristics of thesecompressed indexes. To make the analyses manageable, we choose to use aparticularly simple, but efficient, compression method called theWord-Aligned Hybrid (WAH) code. Using this compression method, a numberof bitmap indexes are shown to be optimal because their worst-case timecomplexities for answering a query is a linear function of the number ofhits. Since compressed bitmap indexes behave drastically different fromuncompressed ones, our analyses also lead to a number of new methods thatare much more efficient than commonly used ones. As a validation for theanalyses, we implement a number of the best methods and measure theirperformance against well-known indexes. The fastest new methods arepredicted and observed to be 5 to 10 times faster than well-knownindexing methods.

Molecular Components of Catalytic Selectivity

Energy Technology Data Exchange (ETDEWEB)

Somorjai, Gabor A.; Park, Jeong Y.

2008-07-02

Selectivity, that is, to produce one molecule out of many other thermodynamically feasible product molecules, is the key concept to develop 'clean manufacturing' processes that do not produce byproducts (green chemistry). Small differences in potential energy barriers for elementary reaction steps control which reaction channel is more likely to yield the desired product molecule (selectivity), instead of the overall activation energy for the reaction that controls turnover rates (activity). Recent studies have demonstrated the atomic- or molecular-level tailoring of parameters such as the surface structures of active sites that give rise to nanoparticle size and shape dependence of turnover rates and reaction selectivities. Here, we highlight seven molecular components that influence reaction selectivities. These include: surface structure, adsorbate-induced restructuring, adsorbate mobility, reaction intermediates, surface composition, charge transport, and oxidation states for model metal single crystal and colloid nanoparticle catalysts. We show examples of their functioning and describe in-situ instruments that permit us to investigate their roles in surface reactions.

Determination of chlorinated hydrocarbons in single and multi component test gases

Energy Technology Data Exchange (ETDEWEB)

Giese, U.; Stenner, H. (Paderborn Univ. (Gesamthochschule) (Germany, F.R.). Angewandte Chemie); Ludwig, E.; Kettrup, A. (Paderborn Univ. (Gesamthochschule) (Germany, F.R.). Angewandte Chemie Gesellschaft fuer Strahlen- und Umweltforschung mbH Muenchen, Neuherberg (Germany, F.R.). Inst. fuer Oekologische Chemie)

1990-11-01

For comparing the efficiency of active and diffusive sampling methods two diffusive samplers with different properties were used to determine chlorinated hydrocarbons (CH{sub 2}Cl{sub 2}, CHCl{sub 3}, CCl{sub 4}) in single and multi component test gas mixtures. One of the chosen diffusive samplers can also be used for active sampling. In general, good correlations of all tested methods could be observed in the direct comparison of active and diffusive sampling and in the determination of the efficiencies. During the application of active and diffusive sampling methods in multi component test gases of the analytes possible interferences could not be ascertained. (orig.).

Simulating multi-component liquid phase adsorption systems: ethanol and residual sugar

Energy Technology Data Exchange (ETDEWEB)

Jones, R.; Tezel, F.H.; Thibault, J. [Department of Chemical and Biological Engineering, University of Ottawa (Canada)], email: Jules.Thibault@uottawa.ca

2011-07-01

A series of multi-component adsorption studies was performed to determine the relative advantages of producing ethanol which is to be blended with gasoline. These studies developed a model to describe the competition for adsorption sites between ethanol and sugar molecules on the surface of the adsorbent. Three competitive adsorption models established by batch systems were examined to evaluate the suitability of the experiment data across different ethanol and sugar concentrations and determine their isotherm parameters. Multi-component packed bed adsorption experiments were then performed. The results show that ethanol capacity was decreased only slightly from that obtained in single component adsorption studies. There is significant evidence to indicate that sugar displacement from adsorption sites occurs because adsorption of ethanol is preferred. So the capacity of sugars will be greatly reduced if there are appreciable ethanol concentrations.

Intrinsic embedded sensors for polymeric mechatronics: flexure and force sensing.

Science.gov (United States)

Jentoft, Leif P; Dollar, Aaron M; Wagner, Christopher R; Howe, Robert D

2014-02-25

While polymeric fabrication processes, including recent advances in additive manufacturing, have revolutionized manufacturing, little work has been done on effective sensing elements compatible with and embedded within polymeric structures. In this paper, we describe the development and evaluation of two important sensing modalities for embedding in polymeric mechatronic and robotic mechanisms: multi-axis flexure joint angle sensing utilizing IR phototransistors, and a small (12 mm), three-axis force sensing via embedded silicon strain gages with similar performance characteristics as an equally sized metal element based sensor.

Theoretical and Numerical Study of Growth in Multi-Component Alloys

Science.gov (United States)

Lahiri, Arka; Abinandanan, T. A.; Choudhury, Abhik

2017-10-01

In multi-component systems, during diffusion-controlled growth of a precipitate from a supersaturated matrix, differential diffusivities lead to a selection of tie-line compositions different from the thermodynamic tie-line containing the alloy composition. In this paper, we address the multi-component version of the growth problem by extending Zener's theory, and derive analytical expressions for predicting tie-lines and composition profiles in the matrix during growth of planar, cylindrical, and spherical precipitates for independent as well as coupled diffusion of solutes in the scaling regime. We confirm our calculations by sharp interface and phase-field simulations in a ternary setting, in which we also extend the tie-line and growth constant predictions for two well-known limiting cases, namely partition and negligible partition under local equilibrium (PLE and NPLE).

Polymerization Simulator for Introductory Polymer and Material Science Courses

Science.gov (United States)

Chirdon, William M.

2010-01-01

This work describes how molecular simulation of polymerization reactions can be used to enrich introductory polymer or material science courses to give students a deeper understanding of free-radical chain and stepwise growth polymerization reactions. These simulations have proven to be effective media for instruction that do not require material…

Modeling of lipase catalyzed ring-opening polymerization of epsilon-caprolactone.

Science.gov (United States)

Sivalingam, G; Madras, Giridhar

2004-01-01

Enzymatic ring-opening polymerization of epsilon-caprolactone by various lipases was investigated in toluene at various temperatures. The determination of molecular weight and structural identification was carried out with gel permeation chromatography and proton NMR, respectively. Among the various lipases employed, an immobilized lipase from Candida antartica B (Novozym 435) showed the highest catalytic activity. The polymerization of epsilon-caprolactone by Novozym 435 showed an optimal temperature of 65 degrees C and an optimum toluene content of 50/50 v/v of toluene and epsilon-caprolactone. As lipases can degrade polyesters, a maximum in the molecular weight with time was obtained due to the competition of ring opening polymerization and degradation by specific chain end scission. The optimum temperature, toluene content, and the variation of molecular weight with time are consistent with earlier observations. A comprehensive model based on continuous distribution kinetics was developed to model these phenomena. The model accounts for simultaneous polymerization, degradation and enzyme deactivation and provides a technique to determine the rate coefficients for these processes. The dependence of these rate coefficients with temperature and monomer concentration is also discussed.

A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.

Science.gov (United States)

Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L

2016-11-05

The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

Radiation polymerization of tetrafluoroethylene in freon-22

International Nuclear Information System (INIS)

Schnautz, N.G.; Thompson, J.C.

1979-02-01

The radiation-induced solution-polymerization of tetrafluoroethylene in Freon-22 has been investigated over a temperature range of - 62 degrees celcius to 0 degrees celcius. The rate of polymerization for the in-source process was found to be directly propertional to monomer concentration and an activation energy of only 7,66 kj/mole was calculated. The number-average molecular mass of the product PTFE ranged from 2X10 4 to 6X10 4 and was relatively independent of the usual reaction parameters. The rate of postpolymerization was also found to be directly proportional to monomer concentration. The postpolyerization process did not result in any enchancement of the initial PTFE molecular mass [af

Closure relations for the multi-species Euler system. Construction and study of relaxation schemes for the multi-species and multi-components Euler systems; Relations de fermeture pour le systeme des equations d'Euler multi-especes. Construction et etude de schemas de relaxation en multi-especes et en multi-constituants

Energy Technology Data Exchange (ETDEWEB)

Dellacherie, St. [CEA Saclay, Dir. de l' Energie Nucleaire DEN/SFNME/LMPE, Lab. de Modelisation Physique et de l' Enrichissement, 91 - Gif sur Yvette (France); Rency, N. [Paris-11 Univ., CNRS UMR 8628, 91 - Orsay (France)

2001-07-01

After having recalled the formal convergence of the semi-classical multi-species Boltzmann equations toward the multi-species Euler system (i.e. mixture of gases having the same velocity), we generalize to this system the closure relations proposed by B. Despres and by F. Lagoutiere for the multi-components Euler system (i.e. mixture of non miscible fluids having the same velocity). Then, we extend the energy relaxation schemes proposed by F. Coquel and by B. Perthame for the numerical resolution of the mono-species Euler system to the multi-species isothermal Euler system and to the multi-components isobar-isothermal Euler system. This allows to obtain a class of entropic schemes under a CFL criteria. In the multi-components case, this class of entropic schemes is perhaps a way for the treatment of interface problems and, then, for the treatment of the numerical mixture area by using a Lagrange + projection scheme. Nevertheless, we have to find a good projection stage in the multi-components case. At last, in the last chapter, we discuss, through the study of a dynamical system, about a system proposed by R. Abgrall and by R. Saurel for the numerical resolution of the multi-components Euler system.

The role of hydroperoxides as a precursor in the radiation-induced graft polymerization of methyl methacrylate to ultra-high molecular weight polyethylene

Energy Technology Data Exchange (ETDEWEB)

Enomoto, Ichiro, E-mail: enomoto.ichiro@iri-tokyo.j [Tokyo Metropolitan Industrial Technology Research Institute, KFC bldg., 12F, 1-6-1, Yokoami, Sumida-ku, Tokyo 130-0015 (Japan); School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Katsumura, Yosuke [School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Advanced Science Research Center, Japan Atomic Energy Agency, 2-4 Shirakata Shirane, Tokai-mura, Ibaraki 319-1195 (Japan); Kudo, Hisaaki [School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Sekiguchi, Masayuki [Tokyo Metropolitan Industrial Technology Research Institute, KFC bldg., 12F, 1-6-1, Yokoami, Sumida-ku, Tokyo 130-0015 (Japan)

2010-06-15

A graft polymerization of methyl methacrylate (MMA) to ultra-high molecular weight polyethylene (UHMWPE) with Co-60 gamma-ray irradiation in air at room temperature has been carried out. The grafting yields were measured as a function of the storage time (elapsed time from the end of irradiation to the start of grafting), and it was found that the yields reach at the maximum values at around several days since the end of irradiation. In order to clarify the precursor of the graft polymerization, changes of the radical yields and the carbonyl groups were measured as a function of storage time with ESR and microscopic FT-IR, respectively. From the similarities between the depth profiles of the hydroperoxide formation and the grafting products, it was concluded that the hydroperoxides can be main precursors of the grafting of the radiation-induced polymerization of MMA to UHMWPE under the given conditions.

The role of hydroperoxides as a precursor in the radiation-induced graft polymerization of methyl methacrylate to ultra-high molecular weight polyethylene

International Nuclear Information System (INIS)

Enomoto, Ichiro; Katsumura, Yosuke; Kudo, Hisaaki; Sekiguchi, Masayuki

2010-01-01

A graft polymerization of methyl methacrylate (MMA) to ultra-high molecular weight polyethylene (UHMWPE) with Co-60 γ-ray irradiation in air at room temperature has been carried out. The grafting yields were measured as a function of the storage time (elapsed time from the end of irradiation to the start of grafting), and it was found that the yields reach at the maximum values at around several days since the end of irradiation. In order to clarify the precursor of the graft polymerization, changes of the radical yields and the carbonyl groups were measured as a function of storage time with ESR and microscopic FT-IR, respectively. From the similarities between the depth profiles of the hydroperoxide formation and the grafting products, it was concluded that the hydroperoxides can be main precursors of the grafting of the radiation-induced polymerization of MMA to UHMWPE under the given conditions.

Polymerization of N-(fluoro phenyl) maleimides

International Nuclear Information System (INIS)

Barrales-Rienda, J.M.; Ramos, J.G.; Chaves, M.S.

1979-01-01

Poly(N-aryl maleimide)s of characteristic structures have been synthesized and some of their physical properties studied. The polymerization of N-(fluoro phenyl) maleimides by free-radical initiation in bulk or in solution and by anionic catalyst have been studied to compare the characteristics of polymerization by γ-ray irradiation with that by free-radical initiation. The polymers were characterized by elemental analysis, intrinsic viscosity, spectroscopy (IR and NMR), programmed thermogravimetric analysis, and x-ray diffraction. Spectra of polymers prepared by radiation and anionic polymerization were nearly identical with those of polymers prepared by free-radical polymerization initiated by azobisisobutyronitrile in bulk or in solution and by the self-initiated thermal polymerization. A variety of reaction conditions were tried, but all attempts to change the molecular structure of the polymers were unsuccessful. Rates of thermal degradation for poly[N-(fluoro phenyl) maleimide]s have been analyzed by using a multiple-heating-rate procedure. Overall activation energy, order of reaction, and frequency factor have been evaluated. 6 figures, 8 tables

Investigations in the field of solid state polymerization Pt. 38

International Nuclear Information System (INIS)

Hardy, Gy.; Cser, F.; Nyitrai, K.; Fedorova, N.

1980-01-01

The stuctural and radiation chemical data of vinyl monomers with long chain paraffinic or cholesteric side groups are critically reviewed. Based on their structural and polymerization kinetical characteristics the monomers may be classified into three groups. Oblique layers are favourable for homogeneous topotactic polymerization. This is characterized by a low activation energy and a radiochemical efficiency very similar to that measured in liquid state polymerization. The tilted layers are not favourable for homogeneous topotactic polymerization. Allyl monomers yield polymers with higher molecular weights in the layer structure than in liquid states. (author)

Aerodynamic multi-objective integrated optimization based on principal component analysis

Directory of Open Access Journals (Sweden)

Jiangtao HUANG

2017-08-01

Full Text Available Based on improved multi-objective particle swarm optimization (MOPSO algorithm with principal component analysis (PCA methodology, an efficient high-dimension multi-objective optimization method is proposed, which, as the purpose of this paper, aims to improve the convergence of Pareto front in multi-objective optimization design. The mathematical efficiency, the physical reasonableness and the reliability in dealing with redundant objectives of PCA are verified by typical DTLZ5 test function and multi-objective correlation analysis of supercritical airfoil, and the proposed method is integrated into aircraft multi-disciplinary design (AMDEsign platform, which contains aerodynamics, stealth and structure weight analysis and optimization module. Then the proposed method is used for the multi-point integrated aerodynamic optimization of a wide-body passenger aircraft, in which the redundant objectives identified by PCA are transformed to optimization constraints, and several design methods are compared. The design results illustrate that the strategy used in this paper is sufficient and multi-point design requirements of the passenger aircraft are reached. The visualization level of non-dominant Pareto set is improved by effectively reducing the dimension without losing the primary feature of the problem.

Multi-Step Deep Reactive Ion Etching Fabrication Process for Silicon-Based Terahertz Components

Science.gov (United States)

Jung-Kubiak, Cecile (Inventor); Reck, Theodore (Inventor); Chattopadhyay, Goutam (Inventor); Perez, Jose Vicente Siles (Inventor); Lin, Robert H. (Inventor); Mehdi, Imran (Inventor); Lee, Choonsup (Inventor); Cooper, Ken B. (Inventor); Peralta, Alejandro (Inventor)

2016-01-01

A multi-step silicon etching process has been developed to fabricate silicon-based terahertz (THz) waveguide components. This technique provides precise dimensional control across multiple etch depths with batch processing capabilities. Nonlinear and passive components such as mixers and multipliers waveguides, hybrids, OMTs and twists have been fabricated and integrated into a small silicon package. This fabrication technique enables a wafer-stacking architecture to provide ultra-compact multi-pixel receiver front-ends in the THz range.

Intrinsic Embedded Sensors for Polymeric Mechatronics: Flexure and Force Sensing

Directory of Open Access Journals (Sweden)

Leif P. Jentoft

2014-02-01

Full Text Available While polymeric fabrication processes, including recent advances in additive manufacturing, have revolutionized manufacturing, little work has been done on effective sensing elements compatible with and embedded within polymeric structures. In this paper, we describe the development and evaluation of two important sensing modalities for embedding in polymeric mechatronic and robotic mechanisms: multi-axis flexure joint angle sensing utilizing IR phototransistors, and a small (12 mm, three-axis force sensing via embedded silicon strain gages with similar performance characteristics as an equally sized metal element based sensor.

Light-harvesting organic photoinitiators of polymerization.

Science.gov (United States)

Lalevée, Jacques; Tehfe, Mohamad-Ali; Dumur, Frédéric; Gigmes, Didier; Graff, Bernadette; Morlet-Savary, Fabrice; Fouassier, Jean-Pierre

2013-02-12

Two new photoinitiators with unprecedented light absorption properties are proposed on the basis of a suitable truxene skeleton where several UV photoinitiators PI units such as benzophenone and thioxanthone are introduced at the periphery and whose molecular orbitals MO can be coupled with those of the PI units: a red-shifted absorption and a strong increase of the molecular extinction coefficients (by a ≈ 20-1000 fold factor) are found. These compounds are highly efficient light-harvesting photoinitiators. The scope and practicality of these photoinitiators of polymerization can be dramatically expanded, that is, both radical and cationic polymerization processes are accessible upon very soft irradiation conditions (halogen lamp, LED…︁) thanks to the unique light absorption properties of the new proposed structures. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Radiation-Induced Polymerization Monitored with Fluorogenic Molecular Probes

NARCIS (Netherlands)

Frahn, M.S.

2003-01-01

Each year over one billion pounds of acrylic-based polymeric products are produced world wide. Such products include windows in aircraft, lenses in eyeglasses and CD players, coatings on parquet flooring and various architectural structures such as skylights and domes. Often these products are made

Fluid description of multi-component solar partially ionized plasma

International Nuclear Information System (INIS)

Khomenko, E.; Collados, M.; Vitas, N.; Díaz, A.

2014-01-01

We derive self-consistent formalism for the description of multi-component partially ionized solar plasma, by means of the coupled equations for the charged and neutral components for an arbitrary number of chemical species, and the radiation field. All approximations and assumptions are carefully considered. Generalized Ohm's law is derived for the single-fluid and two-fluid formalism. Our approach is analytical with some order-of-magnitude support calculations. After general equations are developed, we particularize to some frequently considered cases as for the interaction of matter and radiation

Radiation-induced heterogeneous polymerization of acrylamide in acetone and acetone--water mixtures

International Nuclear Information System (INIS)

Wada, T.; Sekiya, H.; Machi, S.

1975-01-01

The effects of temperature, dose rate, and monomer concentration on the heterogeneous polymerization of acrylamide in acetone--water mixtures have been studied. Heterogeneous polymerization takes place in mixtures containing less than 60 vol-percent water. The polymerization is steady in acetone and nonsteady in mixtures containing 10 to 50 vol-percent water. The average rate of polymerization is highest in mixtures with about 20 vol-percent water. Polymer molecular weight increases with the increasing water content in the range 0 to 10 vol-percent and does not change in the range of 30 to 70 vol-percent water. For the polymerization in acetone and an acetone-water 60/40 mixture, the activation energies are 2.3 and -1.8 kcal/mole, the dose rate exponents of rate are 0.78 and 0.52, and the monomer concentration exponents of rate are 0.5 and 1.6, respectively. The polymer molecular weight increases with decreasing dose rate, decreasing temperature, and increasing monomer concentration. These results are discussed in connection with the mechanism of heterogeneous polymerization and the solvent effect

Poly(glycolide multi-arm star polymers: Improved solubility via limited arm length

Directory of Open Access Journals (Sweden)

Florian K. Wolf

2010-06-01

Full Text Available Due to the low solubility of poly(glycolic acid (PGA, its use is generally limited to the synthesis of random copolyesters with other hydroxy acids, such as lactic acid, or to applications that permit direct processing from the polymer melt. Insolubility is generally observed for PGA when the degree of polymerization exceeds 20. Here we present a strategy that allows the preparation of PGA-based multi-arm structures which significantly exceed the molecular weight of processable oligomeric linear PGA (<1000 g/mol. This was achieved by the use of a multifunctional hyperbranched polyglycerol (PG macroinitiator and the tin(II-2-ethylhexanoate catalyzed ring-opening polymerization of glycolide in the melt. With this strategy it is possible to combine high molecular weight with good molecular weight control (up to 16,000 g/mol, PDI = 1.4–1.7, resulting in PGA multi-arm star block copolymers containing more than 90 wt % GA. The successful linkage of PGA arms and PG core via this core first/grafting from strategy was confirmed by detailed NMR and SEC characterization. Various PG/glycolide ratios were employed to vary the length of the PGA arms. Besides fluorinated solvents, the materials were soluble in DMF and DMSO up to an average arm length of 12 glycolic acid units. Reduction in the Tg and the melting temperature compared to the homopolymer PGA should lead to simplified processing conditions. The findings contribute to broadening the range of biomedical applications of PGA.

Models of SEC elution curves for binary and multi-component polymers

Czech Academy of Sciences Publication Activity Database

Netopilík, Miloš; Kratochvíl, Pavel

2009-01-01

Roč. 58, č. 2 (2009), s. 198-201 ISSN 0959-8103 R&D Projects: GA AV ČR IAA4050403; GA AV ČR IAA400500703 Institutional research plan: CEZ:AV0Z40500505 Keywords : size-exclusion chromatography * multi-component polymers * minority components detection Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.137, year: 2009

40 CFR 59.506 - How do I demonstrate compliance if I manufacture multi-component kits?

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 5 2010-07-01 2010-07-01 false How do I demonstrate compliance if I manufacture multi-component kits? 59.506 Section 59.506 Protection of Environment ENVIRONMENTAL PROTECTION... § 59.506 How do I demonstrate compliance if I manufacture multi-component kits? (a) If you manufacture...

In situ polymerization of monomers for polyphenylquinoxaline/graphite

Science.gov (United States)

Serafini, T. T.; Delvigs, P.; Vannucci, R. D.

1973-01-01

Methods currently used to prepare fiber reinforced, high temperature resistant polyphenylquinoxaline (PPQ) composites employ extremely viscous, low solids content solutions of high molecular weight PPQ polymers. An improved approach, described in this report, consists of impregnating the fiber with a solution of the appropriate monomers instead of a solution of previously synthesized high molecular weight polymer. Polymerization of the monomers occurs in situ on the fiber during the solvent removal and curing stages. The in situ polymerization approach greatly simplifies the fabrication of PPQ graphite fiber composites. The use of low viscosity monomeric type solutions facilitates fiber wetting, permits a high solids content, and eliminates the need for prior polymer synthesis.

Polymerization of Methyl Methacrylate with Samarocene Complex Supported on Mesoporous Silica

Institute of Scientific and Technical Information of China (English)

无

2001-01-01

Samarocene complex was supported on a series of mesoporous silica with various pore sizes. Polymerization of methyl methacrylate (MMA) by these catalysts provide highly syndiotactic PMMAs with higher molecular weights compared with those obtained by solution polymerization with homogeneous catalyst system.

Radiation-induced controlled polymerization of acrylic acid by RAFT and RAFT-MADIX methods in protic solvents

Science.gov (United States)

Sütekin, S. Duygu; Güven, Olgun

2018-01-01

The kinetic investigation of one-pot synthesis of poly(acrylic acid) (PAA) prepared via gamma radiation induced controlled polymerization was reported. PAA homopolymers were prepared by Reversible Addition-Fragmentation Chain Transfer (RAFT) polymerization in the presence of trithiocarbonate-based chain transfer agent (CTA) 2-(Dodecylthiocarbonothioylthio)-2-methylpropionic acid (DDMAT) and also by Reversible Addition-Fragmentation/Macromolecular Design by Inter-change of Xanthates (RAFT/MADIX) polymerization in the presence of a xanthate based CTA O-ethyl-S-(1-methoxycarbonyl) ethyl dithiocarbonate (RA1). The polymerizations were performed at room temperature by the virtue of ionizing radiation. Protic solvents were used for the RAFT polymerization of AA considering environmental profits. The linear first-order kinetic plot, close control of molecular weight by the monomer/CTA molar ratio supported that the polymerization proceeds in a living fashion. The linear increase in molecular weight with conversion monitored by Size Exclusion Chromatography (SEC) is another proof of controlling of polymerization. [Monomer]/[RAFT] ratio and conversion was controlled to obtain PAA in the molecular weight range of 6900-35,800 with narrow molecular weight distributions. Reaction kinetics and effect of the amount of RAFT agent were investigated in detail. Between two different types of CTA, trithiocarbonate based DDMAT was found to be more efficient in terms of low dispersity (Đ) and linear first-order kinetic behavior for the radiation induced controlled synthesis of PAA homopolymers.

Effect of organoelemental compounds of group 3 elements on radical polymerization of vinyl monomers

International Nuclear Information System (INIS)

Grishin, D.F.; Mojkin, A.A.

1996-01-01

When alkyl, alkyl alkoxy, and alkyl halide derivatives of boron and aluminium are introduced into the system in amounts that are comparable to the concentration of initiator, they coordinate to the growing macroradicals, thus changing their reactivity, and exert regulating effect on the rate of polymerization of vinyl monomers and the molecular mass of the resulting polymers. The said organoelemental compounds accelerate the polymerization of butyl acrylate, methyl methacrylate, acrylonitrile, vinyl acetate, and vinylidene chloride, reduce the molecular mass of acrylic polymers, and virtually do not affect the polymerization of styrene. The specific features of vinyl polymerization are associated with participation of organoelemental additives at the stages of chain growth and chain termination and can be explained within the framework of the mechanism of radical-coordination polymerization. 32 refs., 3 tabs

Gamma Radiation-Induced Template Polymerization Technique

International Nuclear Information System (INIS)

Siyam, T.

2005-01-01

Gamma radiation induced copolymerization of acrylamide sodiumacrylate (AM-AANa) in the presence and absence of the polymer additive was studied at low monomer concentration(1.4M/l). The results showed that the exponents of the dose rate for the polymerization rate was found to be 1.3 and 1.4 in the absence and in the presence of the polymer additive respectively. The molecular weight of the formed polymer increased by addition of the polymer to the system. In the presence of the polymer the comonomers polymerize on the added polymer. In the absence of the added polymer the comonomers polymerize according to the copolymerization process at the initial stage of the copolymerization. While at high conversion the residual comonomers polymerize on the formed macromolecular chains of the produced polymer. These studies showed that the copolymerization in the presence of added polymer is completely template copolymerization while in the absence of the polymer the copolymerization process is only template process with a high conversion

Bright-Dark Mixed N-Soliton Solutions of the Multi-Component Mel'nikov System

Science.gov (United States)

Han, Zhong; Chen, Yong; Chen, Junchao

2017-10-01

By virtue of the Kadomtsev-Petviashvili (KP) hierarchy reduction technique, we construct the general bright-dark mixed N-soliton solution to the multi-component Mel'nikov system. This multi-component system comprised of multiple (say M) short-wave components and one long-wave component with all possible combinations of nonlinearities including all-positive, all-negative and mixed types. Firstly, the two-bright-one-dark (2-b-1-d) and one-bright-two-dark (1-b-2-d) mixed N-soliton solutions in short-wave components of the three-component Mel'nikov system are derived in detail. Then we extend our analysis to the M-component Mel'nikov system to obtain its general mixed N-soliton solution. The formula obtained unifies the all-bright, all-dark and bright-dark mixed N-soliton solutions. For the collision of two solitons, an asymptotic analysis shows that for an M-component Mel'nikov system with M ≥ 3, inelastic collision takes place, resulting in energy exchange among the short-wave components supporting bright solitons only if the bright solitons appear in at least two short-wave components. In contrast, the dark solitons in the short-wave components and the bright solitons in the long-wave component always undergo elastic collision which is only accompanied by a position shift.

Magnetic Levitation To Characterize the Kinetics of Free-Radical Polymerization.

Science.gov (United States)

Ge, Shencheng; Semenov, Sergey N; Nagarkar, Amit A; Milette, Jonathan; Christodouleas, Dionysios C; Yuan, Li; Whitesides, George M

2017-12-27

This work describes the development of magnetic levitation (MagLev) to characterize the kinetics of free-radical polymerization of water-insoluble, low-molecular-weight monomers that show a large change in density upon polymerization. Maglev measures density, and certain classes of monomers show a large change in density when monomers covalently join in polymer chains. MagLev characterized both the thermal polymerization of methacrylate-based monomers and the photopolymerization of methyl methacrylate and made it possible to determine the orders of reaction and the Arrhenius activation energy of polymerization. MagLev also made it possible to monitor polymerization in the presence of solids (aramid fibers, and carbon fibers, and glass fibers). MagLev offers a new analytical technique to materials and polymer scientists that complements other methods (even those based on density, such as dilatometry), and will be useful in investigating polymerizations, evaluating inhibition of polymerizations, and studying polymerization in the presence of included solid materials (e.g., for composite materials).

Development of self-assembled molecular structures on polymeric surfaces and their applications as ultrasonically responsive barrier coatings for on-demand, pulsatile drug delivery

Science.gov (United States)

Kwok, Connie Sau-Kuen

Nature in the form of DNA, proteins, and cells has the remarkable ability to interact with its environment by processing biological information through specific molecular recognition at the interface. As such, materials that are capable of triggering an appropriate biological response need to be engineered at the biomaterial surface. Chemically and structurally well-defined self-assembled monolayers (SAMs), biomimetics of the lipid bilayer in cell membranes, have been created and studied mostly on rigid metallic surfaces. This dissertation is motivated by the lack of methods to generate a molecularly designed surface for biomedical polymers and thus provides an enabling technology to engineer a polymeric surface precisely at a molecular and cellular level. To take this innovation one step further, we demonstrated that such self-assembled molecular structure coated on drug-containing polymeric devices could act as a stimulus-responsive barrier for controlled drug delivery. A simple, one-step procedure for generating ordered, crystalline methylene chains on polymeric surfaces via urethane linkages was successfully developed. The self-assemblies and molecular structures of these crystalline methylene chains are comparable to the SAM model surfaces, as evidenced by various surface characterization techniques (XPS, TOF-SIMS, and FTIR-ATR). For the first time, these self-assembled molecular structures are shown to function collectively as an ultrasound-responsive barrier membrane for pulsatile drug delivery, including delivery of low-molecular-weight ciprofloxacin and high-molecular-weight insulin. Encouraging results, based on the insulin-activated deoxyglucose uptakes in adipocytes, indicate that the released insulin remained biologically active. Both chemical and acoustic analyses suggest that the ultrasound-assisted release mechanism is primarily induced by transient cavitation, which causes temporary disruption of the self-assembled overlayer, and thus allows

Thermochemical modelling of multi-component systems

International Nuclear Information System (INIS)

Sundman, B.; Gueneau, C.

2015-01-01

Computational thermodynamic, also known as the Calphad method, is a standard tool in industry for the development of materials and improving processes and there is an intense scientific development of new models and databases. The calculations are based on thermodynamic models of the Gibbs energy for each phase as a function of temperature, pressure and constitution. Model parameters are stored in databases that are developed in an international scientific collaboration. In this way, consistent and reliable data for many properties like heat capacity, chemical potentials, solubilities etc. can be obtained for multi-component systems. A brief introduction to this technique is given here and references to more extensive documentation are provided. (authors)

Linearly decoupled energy-stable numerical methods for multi-component two-phase compressible flow

KAUST Repository

Kou, Jisheng; Sun, Shuyu; Wang, Xiuhua

2017-01-01

involved in the discrete momentum equation to ensure a consistency relationship with the mass balance equations. Moreover, we propose a component-wise SAV approach for a multi-component fluid, which requires solving a sequence of linear, separate mass

Adhesion and multi-materials

International Nuclear Information System (INIS)

Schultz, J.

1997-01-01

Adhesion is a multidisciplinary science relevant to many practical fields. The main application of adhesion is bonding by adhesives. This technique is widely used in the industrial world and more specifically in the advanced technical domains. Adhesion is also involved in multi-component materials such as coatings, multilayer materials, polymer blends, composite materials... The multidisciplinary aspect of adhesion is well demonstrated by considering the wide variety of concepts, models and theories proposed for its description. An example of the adhesion between a fiber and a matrix in a composite material will lead to a general model relating the molecular properties of the interface to its capacity of stress transfer and hence to the macroscopic mechanical properties of the composite. This relationship is valid whatever the fiber (glass, carbon, polymeric) or the polymer matrix (thermoplastics, thermosetting). Any deviation from this model can be attributed to the existence of an interfacial zone or interphase exhibiting properties, mainly mechanical properties, different from the bulk matrix. Two examples are examined: the first one deals with the creation of a trans crystalline interphase in a semi-crystalline thermoplastic matrix and the second one is concerned with the formation of a pseudo glassy interphase in an elastomer matrix. These examples stress the need for complementary approaches in the understanding of adhesion phenomena at different levels of knowledge, from molecular to macroscopic. They also show how important it is to understand the mechanisms of formation of inter phases in order to be able to master the performance of multicomponent materials. (Author)

Component state-based integrated importance measure for multi-state systems

International Nuclear Information System (INIS)

Si, Shubin; Levitin, Gregory; Dui, Hongyan; Sun, Shudong

2013-01-01

Importance measures in reliability engineering are used to identify weak components and/or states in contributing to the reliable functioning of a system. Traditionally, importance measures do not consider the possible effect of groups of transition rates among different component states, which, however, has great effect on the component probability distribution and should therefore be taken into consideration. This paper extends the integrated importance measure (IIM) to estimate the effect of a component residing at certain states on the performance of the entire multi-state systems. This generalization of IIM describes in which state it is most worthy to keep the component to provide the desired level of system performance, and which component is the most important to keep in some state and above for improving the performance of the system. An application to an oil transportation system is presented to illustrate the use of the suggested importance measure

Theoretical Study of H/D Isotope Effects on Nuclear Magnetic Shieldings Using an ab initio Multi-Component Molecular Orbital Method

Directory of Open Access Journals (Sweden)

Masanori Tachikawa

2013-05-01

Full Text Available We have theoretically analyzed the nuclear quantum effect on the nuclear magnetic shieldings for the intramolecular hydrogen-bonded systems of σ-hydroxy acyl aromatic species using the gauge-including atomic orbital technique combined with our multi-component density functional theory. The effect of H/D quantum nature for geometry and nuclear magnetic shielding changes are analyzed. Our study clearly demonstrated that the geometrical changes of hydrogen-bonds induced by H/D isotope effect (called geometrical isotope effect: GIE is the dominant factor of deuterium isotope effect on 13C chemical shift.

Molecular components and toxicity of the venom of the solitary wasp, Anoplius samariensis

International Nuclear Information System (INIS)

Hisada, Miki; Satake, Honoo; Masuda, Katsuyoshi; Aoyama, Masato; Murata, Kazuya; Shinada, Testuro; Iwashita, Takashi; Ohfune, Yasufumi; Nakajima, Terumi

2005-01-01

The solitary spider wasp, Anoplius samariensis, is known to exhibit a unique long-term, non-lethal paralysis in spiders that it uses as a food source for its larvae. However, neither detailed venom components nor paralytic compounds have ever been characterized. In this study, we examined the components in the low molecular weight fraction of the venom and the paralytic activity of the high molecular weight fraction. The major low molecular weight components of the venom were identified as γ-aminobutyric acid and glutamic acid by micro-liquid chromatography/electrospray ionization mass spectrometry and nuclear magnetic resonance spectrometry analysis. The sodium dodecyl sulfate-polyacrylamide gel electrophoresis and mass analysis revealed that the A. samariensis venom contained the various proteins with weights of 4-100 kDa. A biological assay using Joro spiders (Nephila clavata) clearly showed that the high molecular weight fraction of the venom prepared by ultrafiltration exerted as potent non-lethal long-term paralysis as the whole venom, whereas the low molecular weight fraction was devoid of any paralytic activity. These results indicated that several venomous proteins in the high molecular weight fraction are responsible for the paralytic activity. Furthermore, we determined the primary structure of one component designated As-fr-19, which was a novel multiple-cysteine peptide with high sequence similarity to several sea anemone and snake toxins including dendrotoxins, rather than any insect toxic peptides identified so far. Taken together, our data showed the unprecedented molecular and toxicological profiles of wasp venoms

Microstructure and mechanical properties of multi-components rare earth oxide-doped molybdenum alloys

International Nuclear Information System (INIS)

Zhang Guojun; Sun Yuanjun; Zuo Chao; Wei Jianfeng; Sun Jun

2008-01-01

Pure molybdenum and molybdenum alloys doped with two- or three-components rare earth oxide particles were prepared by powder metallurgy. Both the tensile property and fracture toughness of the pure molybdenum and multi-components rare earth oxide-doped molybdenum alloys were determined at room temperature. The multi-components rare earth oxide-doped molybdenum alloys are fine grained and contain a homogeneous distribution of fine particles in the submicron and nanometer size ranges, which is why the molybdenum alloys have higher strength and fracture toughness than pure molybdenum. Quantitative analysis is used to explain the increase in yield strength with respect to grain size and second phase strengthening. Furthermore, the relationship between the tensile properties and microstructural parameters is quantitatively established

An external-cavity quantum cascade laser operating near 5.2 µm combined with cavity ring-down spectroscopy for multi-component chemical sensing

Science.gov (United States)

Dutta Banik, Gourab; Maity, Abhijit; Som, Suman; Pal, Mithun; Pradhan, Manik

2018-04-01

We report on the performance of a widely tunable continuous wave mode-hop-free external-cavity quantum cascade laser operating at λ ~ 5.2 µm combined with cavity ring-down spectroscopy (CRDS) technique for high-resolution molecular spectroscopy. The CRDS system has been utilized for simultaneous and molecule-specific detection of several environmentally and bio-medically important trace molecular species such as nitric oxide, nitrous oxide, carbonyl sulphide and acetylene (C2H2) at ultra-low concentrations by probing numerous rotationally resolved ro-vibrational transitions in the mid-IR spectral region within a relatively small spectral range of ~0.035 cm-1. This continuous wave external-cavity quantum cascade laser-based multi-component CRDS sensor with high sensitivity and molecular specificity promises applications in environmental sensing as well as non-invasive medical diagnosis through human breath analysis.

Electrophoretic analysis of different human growth hormone preparations:characterization and molecular weight estimation of isohormones and other proteic components

International Nuclear Information System (INIS)

Schwarz, I.

1979-01-01

Twelve human growth hormone (hGH) preparations were studied on analytical polyacrilamide gel electrophoresis with the purpose of evaluating degree of homogeneity of the extracts, the geometric mean radius (R) sup(-) and the molecular weight (MW) of the protein hormone. A standard curve was used for ten proteins of known molecular weight, where the square root of the retardation coefficient (K sub(R)) was plotted against R sup(-). Five isohormones were identified and defined as charge isomers, based on their different relative free mobility and on their similar R sup(-)(1.81-1.97 nm) and MW (20300-26000 d) values. The heterogeneity of all preparations was due to the presence in general of three isohormones. In five preparations, isohormones B, C 1 and C 2 , were predominant. In recent hGH (IEA) preparations by the method of ROOS, the isohormones C 2 , D and E were identified while in an older one, isohormones E and E 1 were detected. From two to five minor components were found in all samples. Moreover the same type of analysis was carried out on several fractions from protein peaks II and III eluting from Sephadex G 100 purification of three hGH (IEA) extracts. The isohormones start to appear in peak II and their relative concentration is in agreement with the peak III profile read at 280 nm. Practically all secondary components were present in peak II and in most of peak III, showing a type of heterogeneity due to hGH polymeric forms and a relatively small presence of contaminants. (Author) [pt

The influence of temperature on the polymerization of ethyl cyanoacrylate from the vapor phase

Energy Technology Data Exchange (ETDEWEB)

Dadmun, Mark D [ORNL; Algaier, Dana [University of Tennessee, Knoxville (UTK); Baskaran, Durairaj [University of Tennessee, Knoxville (UTK)

2011-01-01

The polymerization of ethyl cyanoacrylate fumes from surface bound initiators is an important step in many novel and mature technologies. Understanding the effect of temperature on the rate of poly(ethyl cyanoacrylate) (PECA) growth and its molecular weight during its polymerization from the vapor phase from surface bound initiators provides insight into the important mechanistic aspects that impact the polymerizations success. In these studies, it is shown that the amount of PECA formed during the polymerization of ECA from a latent fingerprint increases with decreasing temperature, while the polymer molecular weight varies little. This is interpreted to be the result of the loosening of the ion pair that initiates the polymer chain growth and resides on the end of the growing polymer chain with decreasing temperature. Comparison of temperature effects and counter-ion studies show that in both cases loosening the ion pair results in the formation of more polymer with similar molecular weight, verifying this interpretation. These results further suggest that lowering the temperature may be an effective method to optimize anionic vapor phase polymerizations, including the improvement of the quality of aged latent prints and preliminary results are presented that substantiate this prediction.

A review of multi-component maintenance models with economic dependence

NARCIS (Netherlands)

R. Dekker (Rommert); R.E. Wildeman (Ralph); F.A. van der Duyn Schouten (Frank)

1997-01-01

textabstractIn this paper we review the literature on multi-component maintenance models with economic dependence. The emphasis is on papers that appeared after 1991, but there is an overlap with Section 2 of the most recent review paper by Cho and Parlar (1991). We distinguish between stationary

Polymerization of methyl methacrylate by diphenylamido bis (methylcyclopentadienyl) ytterbium complex

Institute of Scientific and Technical Information of China (English)

WANG, Yao-Rong(王耀荣); SHEN, Qi(沈琪); MA, Jia-Le(马家乐); ZHAO, Qun(赵群)

2000-01-01

Methyl methacrylate (MMA) was effectively polymerized by diphenylamido bis(methyicyclopentadienyl) ytterbium complex (MeCp)2YbNPh2(THF). Tne reaction can be carried out over a range of polymerization temperature from - 40℃ to 40℃ and gives the polyMMA with high molecular weights.The initiation mechanism was demonstrated by diphenylamidoterminated methyl methacrylate oligomer.

Multi-spectrometer calibration transfer based on independent component analysis.

Science.gov (United States)

Liu, Yan; Xu, Hao; Xia, Zhenzhen; Gong, Zhiyong

2018-02-26

Calibration transfer is indispensable for practical applications of near infrared (NIR) spectroscopy due to the need for precise and consistent measurements across different spectrometers. In this work, a method for multi-spectrometer calibration transfer is described based on independent component analysis (ICA). A spectral matrix is first obtained by aligning the spectra measured on different spectrometers. Then, by using independent component analysis, the aligned spectral matrix is decomposed into the mixing matrix and the independent components of different spectrometers. These differing measurements between spectrometers can then be standardized by correcting the coefficients within the independent components. Two NIR datasets of corn and edible oil samples measured with three and four spectrometers, respectively, were used to test the reliability of this method. The results of both datasets reveal that spectra measurements across different spectrometers can be transferred simultaneously and that the partial least squares (PLS) models built with the measurements on one spectrometer can predict that the spectra can be transferred correctly on another.

Optical transmission through multi-component generalized Thue-Morse superlattices

Energy Technology Data Exchange (ETDEWEB)

Zhang Guogang [MOE Key Laboratory of Laser Life Science and Institute of Laser Life Science, South China Normal University, Guangzhou 510631 (China); Yang Xiangbo, E-mail: xbyang@scnu.edu.c [MOE Key Laboratory of Laser Life Science and Institute of Laser Life Science, South China Normal University, Guangzhou 510631 (China); Li Yuhong; Song Huanhuan [MOE Key Laboratory of Laser Life Science and Institute of Laser Life Science, South China Normal University, Guangzhou 510631 (China)

2010-09-01

In this paper, by the three kinds of basic components (BCs) of three-component Thue-Morse (3CTM) sequence we construct a type of interesting optical basic-structural-units (BSUs) and propose multi-component generalized Thue-Morse (mCGTM) model. Based on the conventional electromagnetic wave theory we investigate the optical transmission vertically through the one-dimensional (1D) mCGTM superlattices. It is found that the optical transmission possesses an interesting pseudo-constant characteristic at the central wavelength. mCGTM sequence exhibits a cantor-set structure which results in the system possessing certain kinds of effective component pairs (ECPs), and each kind of ECP brings about certain contribution towards the optical transmission. The cantor-set structure is the reason that mCGTM multilayers exhibit the optical transmission pseudo-constant property. For the pseudo-constant optical transmission of mCGTM superlattices, there would be a potential application in the designing of some complex optical devices.

Solid-State Polymerization of Acetylene under Pressure: {ital Ab Initio} Simulation

Energy Technology Data Exchange (ETDEWEB)

Bernasconi, M.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstr.1, D-70569 Stuttgart (Germany); Bernasconi, M. [Istituto Nazionale Fisica della Materia and Dipartimento di Fisica, Universita di Milano, Via Celoria 16, 20133 Milano (Italy); Chiarotti, G.; Focher, P.; Tosatti, E. [Istituto Nazionale Fisica della Materia and International School for Advanced Studies, Via Beirut 4, I-34014 Trieste (Italy); Tosatti, E. [International Centre for Theoretical Physics (ICTP), P.O.Box 586, I-34014 Trieste (Italy)

1997-03-01

We have simulated by {ital ab initio} constant pressure molecular dynamics the solid-state polymerization of acetylene recently observed experimentally in the pressure range 3.5{endash}14 GPa. We have found a massive polymerization only at much higher pressure (25 GPa). However, we have also found that a triplet exciton self-trapped on a single, {ital cis}-bent molecule in crystalline acetylene is a very effective polymerization seed at lower pressure ({lt}9GPa), much closer to the experimental threshold. Therefore, we propose that the polymerization observed experimentally is possibly catalyzed by a similar seed. We predict that injection of triplet excitons would greatly enhance the polymerization rate. {copyright} {ital 1997} {ital The American Physical Society}

Polymeric peptide pigments with sequence-encoded properties

Energy Technology Data Exchange (ETDEWEB)

Lampel, Ayala; McPhee, Scott A.; Park, Hang-Ah; Scott, Gary G.; Humagain, Sunita; Hekstra, Doeke R.; Yoo, Barney; Frederix, Pim W. J. M.; Li, Tai-De; Abzalimov, Rinat R.; Greenbaum, Steven G.; Tuttle, Tell; Hu, Chunhua; Bettinger, Christopher J.; Ulijn, Rein V.

2017-06-08

Melanins are a family of heterogeneous polymeric pigments that provide ultraviolet (UV) light protection, structural support, coloration, and free radical scavenging. Formed by oxidative oligomerization of catecholic small molecules, the physical properties of melanins are influenced by covalent and noncovalent disorder. We report the use of tyrosine-containing tripeptides as tunable precursors for polymeric pigments. In these structures, phenols are presented in a (supra-)molecular context dictated by the positions of the amino acids in the peptide sequence. Oxidative polymerization can be tuned in a sequence-dependent manner, resulting in peptide sequence–encoded properties such as UV absorbance, morphology, coloration, and electrochemical properties over a considerable range. Short peptides have low barriers to application and can be easily scaled, suggesting near-term applications in cosmetics and biomedicine.

Vinyl acetate polymerization by ionizing radiation

International Nuclear Information System (INIS)

Mesquita, Andrea Cercan

2002-01-01

The aim of this work is the synthesis and characterization of the poly(vinyl acetate) using the ionizing radiation. Six polymerizations of vinyl acetate were carried out using three techniques of polymerization: in bulk, emulsion and solution. In the technique of solution polymerization were used two solvents, the alcohol ethyl and the methylethylketone, in two proportions 1:0.5 and 1:1 related to the monomer. The solutions were irradiated with gamma rays from a 60 Co source, with dose rate between 5.25 kGy/h and 6.26 kGy/h. The polymers obtained were characterized by Fourier Transform Infrared Spectroscopy (FTIR). The glass transition temperature (Tg) was investigated by Differential Scanning Calorimeter (DSC). The molecular weight was analyzed by the technique of Gel Permeation Chromatography (GPC). Tests of density, hardness and Vicat softening temperature were carried out. The infrared spectroscopy and others results confirmed that the polymers obtained by polymerization of vinyl acetate in bulk, emulsion and solution, using ionizing radiation, really correspond at poly(vinyl acetate). (author)

60Co γ-irradiation induced polymerization of methyl methacrylate in imidazolium ionic liquids

International Nuclear Information System (INIS)

Qi Mingying; Wu Gongzhong; Liu Yaodong; Chen Shimou; Sha Maolin

2006-01-01

Room temperature ionic liquids (RTILs), as a class of novel environmental benign 'green solvents', have been used as reaction media for various polymerizations due to their unique properties of non-volatility, high polarity, ease of recycling and chirality. In radiation polymerization, the energetic photons or electrons result in the formation of solvated electron and radical ions in ionic liquids, which initiate polymerization of monomers without any chemical initiator. In this work, effects of gamma ray irradiation on pure ionic liquid [bmim][PF 6 ] was investigated in detail in a dose range of 5-400 kGy. The ionic liquids were quite stable under low dose irradiations, but underwent notable radiolysis with high doses. With the irradiated [bmim][PF 6 ], the UV-Vis absorbance increased and the fluorescence intensity decreased with increasing doses. Raman spectra proved that gamma radiation induced significant chemical scission of n-butyl group (e.g. C-H and C-C scission), along with damages to the [PF6] - anion. In cooled samples of the irradiated [bmim][PF 6 ] we found two coexist crystal structures, which had suffered a continuous destruction under high dose irradiation. After ensuring stability of the ionic liquids to low dose irradiation, radiation polymerization of methyl methacrylate (MMA) in ionic liquids and IL/organic solutions was performed. By adding the ionic liquids, the monomer conversion and molecular weight (Mw) of the polymer increased significant. Mw of PMMA in neat ionic liquid increased by about 60 times, from 3 x 10 4 with pure organic solvent to about 2 x 10 6 . Molecular weight of the polymer increased with the IL fraction in the IL/organic solutions, and it was dependent on ionic liquids and solvents used, too. It was also found that the polymer obtained in the existence of IL showed multi-modal broadened molecular weight distribution (MWD). A reasonable explanation is the inhomogeneous nature of the ionic liquid in micron scale and the

Probabilistic techniques using Monte Carlo sampling for multi- component system diagnostics

International Nuclear Information System (INIS)

Aumeier, S.E.; Lee, J.C.; Akcasu, A.Z.

1995-01-01

We outline the structure of a new approach at multi-component system fault diagnostics which utilizes detailed system simulation models, uncertain system observation data, statistical knowledge of system parameters, expert opinion, and component reliability data in an effort to identify incipient component performance degradations of arbitrary number and magnitude. The technique involves the use of multiple adaptive Kalman filters for fault estimation, the results of which are screened using standard hypothesis testing procedures to define a set of component events that could have transpired. Latin Hypercube sample each of these feasible component events in terms of uncertain component reliability data and filter estimates. The capabilities of the procedure are demonstrated through the analysis of a simulated small magnitude binary component fault in a boiling water reactor balance of plant. The results show that the procedure has the potential to be a very effective tool for incipient component fault diagnosis

Hyaluronan polymeric micelles for topical drug delivery

Czech Academy of Sciences Publication Activity Database

Šmejkalová, D.; Muthný, T.; Nešporová, K.; Hermannová, M.; Achbergerová, E.; Huerta-Angelesa, G.; Marek Svoboda, M.; Čepa, M.; Machalová, V.; Luptáková, Dominika; Velebný, V.

2017-01-01

Roč. 156, JAN 20 (2017), s. 86-96 ISSN 0144-8617 Institutional support: RVO:61388971 Keywords : Skin penetration * Polymeric micelle * Hyaluronan Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 4.811, year: 2016

Synthesis of polystyrene with high melting temperature through BDE/CuCl catalyzed polymerization

Institute of Scientific and Technical Information of China (English)

WAN; Xiaolong

2001-01-01

［1］Ewen, J. A., Novel method for plastic production, Science (in Chinese), 1997, 9: 34.［2］Brintzinger, H. H., Fischer, D., Waymouth, R. M. et al., Stereospecific olefin polymerization with chiral metallocene catalysts, Angewandte Chemie International Edition in English, 1995, 34(11): 1143.［3］Matyjaszewski, K., Atom transfer radical polymerization, role of various components and reaction conditions, Polym. Prep., 1997, 38(2): 736.［4］Wang, J. S., Matyjaszewski, K., Controlled/"living" radical polymerization, atom transfer radical polymerization in the presence of transition-metal complex, J. Am. Soc., 1995, 117: 5614.［5］Wang, J. S., Matyjaszewski, K., Controlled/"living" radical polymerization, halogen atom transfer radical polymerization promoted by a Cu(I)/Cu(II) redox process, Macromolecules, 1995, 28: 7901.［6］Koto, M., Kamigaito, M., Sawamoto, M. et al., Polymerization of methyl methacrylate with the carbon tetrachloride/dichloro-tris(triphenyphosphine) ruthenium(II)/methylaluminum bis(2,6-di-tert-butylphenoxide) initiating system: possible of living radical polymerization, Macromolecules, 1995, 28: 1721.［7］Ando, T., Kato, M., Living radical polymerization of methyl methacrylate with Ruthenium complex: formation of polymers with controlled molecular weights and very narrow distributions, Macromolecules, 1996, 29: 1070.［8］Granel, C., Dubios, P., Jerome, R. et al., Controlled radical polymerization of methacrylic monomers in the presence of a bis(ortho-chelated) arylnickel(II) complex and different activated alkyl halides, Macromolecules, 1996, 29: 8576.［9］Granel, C., Moineau, G., Lecome, P. et al., (Meth)acrylates pseudo-living radical polymerization in the presence of transition metal complexes: the kharasch reaction revisited, Polym. Prep., 1997, 38(1): 450.［10］Ando, T., Kamigaito, M., Sawamoto, M., Iron(II) chloride complex for living radical polymerization of methyl methacrylate, Macromolecules, 1997, 30: 4507.［11�

A simple method for determining polymeric IgA-containing immune complexes.

Science.gov (United States)

Sancho, J; Egido, J; González, E

1983-06-10

A simplified assay to measure polymeric IgA-immune complexes in biological fluids is described. The assay is based upon the specific binding of a secretory component for polymeric IgA. In the first step, multimeric IgA (monomeric and polymeric) immune complexes are determined by the standard Raji cell assay. Secondly, labeled secretory component added to the assay is bound to polymeric IgA-immune complexes previously fixed to Raji cells, but not to monomeric IgA immune complexes. To avoid false positives due to possible complement-fixing IgM immune complexes, prior IgM immunoadsorption is performed. Using anti-IgM antiserum coupled to CNBr-activated Sepharose 4B this step is not time-consuming. Polymeric IgA has a low affinity constant and binds weakly to Raji cells, as Scatchard analysis of the data shows. Thus, polymeric IgA immune complexes do not bind to Raji cells directly through Fc receptors, but through complement breakdown products, as with IgG-immune complexes. Using this method, we have been successful in detecting specific polymeric-IgA immune complexes in patients with IgA nephropathy (Berger's disease) and alcoholic liver disease, as well as in normal subjects after meals of high protein content. This new, simple, rapid and reproducible assay might help to study the physiopathological role of polymeric IgA immune complexes in humans and animals.

Improving the Psychosocial Work Environment at Multi-Ethnic Workplaces: A Multi-Component Intervention Strategy in the Cleaning Industry

OpenAIRE

Smith, Louise Hardman; Hviid, Kirsten; Frydendall, Karen Bo; Flyvholm, Mari-Ann

2013-01-01

Global labour migration has increased in recent years and immigrant workers are often recruited into low status and low paid jobs such as cleaning. Research in a Danish context shows that immigrants working in the cleaning industry often form social networks based on shared languages and backgrounds, and that conflict between different ethnic groups may occur. This paper evaluates the impact of a multi-component intervention on the psychosocial work environment at a multi-ethnic Danish workpl...

Radiation-induced emulsion polymerization of tetrafluoroethylene

International Nuclear Information System (INIS)

Suwa, Takeshi

1979-10-01

The radiation-induced emulsifier-free emulsion polymerization of tetrafluoroethylene (TFE) has been studied at initial pressure 2 - 25 kg/cm 2 and temperature 30 0 - 110 0 C for dose rate 0.57 x 10 4 - 3.0 x 10 4 rad/hr. Polytetrafluoroethylene (PTFE), a hydrophobic polymer, forms as a stable latex in the absence of an emulsifier. Stability of the latex is governed by the dose rate/TFE pressure ratio; it increases with sufficient TFE monomer. PTFE particles produced in this polymerization system are stable due to the carboxyl end groups and adsorption of OH - and HF on the particles. PTFE latex of molecular weight higher than 2 x 10 7 is obtained by addition of a radical scavenger such as hydroquinone. The molecular weight of PTFE can be measured from the heat of crystallization conveniently with high reliability, which was found in the course of study on the melting and crystallization behavior. (author)

Synthetic Ion Channels and DNA Logic Gates as Components of Molecular Robots.

Science.gov (United States)

Kawano, Ryuji

2018-02-19

A molecular robot is a next-generation biochemical machine that imitates the actions of microorganisms. It is made of biomaterials such as DNA, proteins, and lipids. Three prerequisites have been proposed for the construction of such a robot: sensors, intelligence, and actuators. This Minireview focuses on recent research on synthetic ion channels and DNA computing technologies, which are viewed as potential candidate components of molecular robots. Synthetic ion channels, which are embedded in artificial cell membranes (lipid bilayers), sense ambient ions or chemicals and import them. These artificial sensors are useful components for molecular robots with bodies consisting of a lipid bilayer because they enable the interface between the inside and outside of the molecular robot to function as gates. After the signal molecules arrive inside the molecular robot, they can operate DNA logic gates, which perform computations. These functions will be integrated into the intelligence and sensor sections of molecular robots. Soon, these molecular machines will be able to be assembled to operate as a mass microrobot and play an active role in environmental monitoring and in vivo diagnosis or therapy. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study of the Effect of Murray Red Gum Tree Age on Chemical Components and Cellulose Degree of Polymerization

Directory of Open Access Journals (Sweden)

A. Shakeri

2007-12-01

Full Text Available This research was performed to study the effect of Murray red gum tree age (4, 6, 8 years on the chemical components, viscosity and the cellulose degree of polymerization. The Eucalyptus trees were cut at the ages of 4, 6, and 8 from hand planted forests. The contents of cellulose, hemicellulose, lignin, extractives and ash for each age were then determined. The results show that with increasing age the contents of cellulose, hemicellulose and lignin increased but the extractives and ash contents decreased. After measuring the viscosity of cellulose solution, the degree of polymerization(DP was also determined by using the standard equation. The viscosity numbers for 4, 6 and 8 year old trees were 290, 503 and 566 mL/g, respectively, and the DP were 272, 568 and 652, respectively. Finally after analyzing and comparing the results, the age of 8 was found to have best properties for viscose industry. But in order to reduce the forestry and production costs, 6 year old tree instead of 8 could be cut because of the close results in DP and cellulose content.

Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: a Tool for Molecular Mass Prediction

KAUST Repository

Falivene, Laura; Cavallo, Luigi; Talarico, Giovanni

2015-01-01

A comparison of the steric properties of homogeneous single site catalysts for propene polymerization using the percentage of buried volume (%VBur) as molecular descriptor is reported. The %VBur calculated on the neutral precursors of the active species seems to be a reliable tool to explain several experimental data related to the propene insertion and to the monomer chain transfer. Interestingly, a linear correlation between the buried volume calculated for a large set of neutral precursors and the energetic difference between propagation and termination steps calculated by DFT methods is found for Group 4 metal catalysts. The “master curves” derived for Ti, Zr and Hf confirm not only that the %VBur is an appropriate molecular descriptor for the systems considered but also that it could be used as tool for a large computational screening of new ligands.

Buried Volume Analysis for Propene Polymerization Catalysis Promoted by Group 4 Metals: a Tool for Molecular Mass Prediction

KAUST Repository

Falivene, Laura

2015-10-02

A comparison of the steric properties of homogeneous single site catalysts for propene polymerization using the percentage of buried volume (%VBur) as molecular descriptor is reported. The %VBur calculated on the neutral precursors of the active species seems to be a reliable tool to explain several experimental data related to the propene insertion and to the monomer chain transfer. Interestingly, a linear correlation between the buried volume calculated for a large set of neutral precursors and the energetic difference between propagation and termination steps calculated by DFT methods is found for Group 4 metal catalysts. The “master curves” derived for Ti, Zr and Hf confirm not only that the %VBur is an appropriate molecular descriptor for the systems considered but also that it could be used as tool for a large computational screening of new ligands.

Linearly decoupled energy-stable numerical methods for multi-component two-phase compressible flow

KAUST Repository

Kou, Jisheng

2017-12-06

In this paper, for the first time we propose two linear, decoupled, energy-stable numerical schemes for multi-component two-phase compressible flow with a realistic equation of state (e.g. Peng-Robinson equation of state). The methods are constructed based on the scalar auxiliary variable (SAV) approaches for Helmholtz free energy and the intermediate velocities that are designed to decouple the tight relationship between velocity and molar densities. The intermediate velocities are also involved in the discrete momentum equation to ensure a consistency relationship with the mass balance equations. Moreover, we propose a component-wise SAV approach for a multi-component fluid, which requires solving a sequence of linear, separate mass balance equations. We prove that the methods have the unconditional energy-dissipation feature. Numerical results are presented to verify the effectiveness of the proposed methods.

Multi-component separation and analysis of bat echolocation calls.

Science.gov (United States)

DiCecco, John; Gaudette, Jason E; Simmons, James A

2013-01-01

The vast majority of animal vocalizations contain multiple frequency modulated (FM) components with varying amounts of non-linear modulation and harmonic instability. This is especially true of biosonar sounds where precise time-frequency templates are essential for neural information processing of echoes. Understanding the dynamic waveform design by bats and other echolocating animals may help to improve the efficacy of man-made sonar through biomimetic design. Bats are known to adapt their call structure based on the echolocation task, proximity to nearby objects, and density of acoustic clutter. To interpret the significance of these changes, a method was developed for component separation and analysis of biosonar waveforms. Techniques for imaging in the time-frequency plane are typically limited due to the uncertainty principle and interference cross terms. This problem is addressed by extending the use of the fractional Fourier transform to isolate each non-linear component for separate analysis. Once separated, empirical mode decomposition can be used to further examine each component. The Hilbert transform may then successfully extract detailed time-frequency information from each isolated component. This multi-component analysis method is applied to the sonar signals of four species of bats recorded in-flight by radiotelemetry along with a comparison of other common time-frequency representations.

In situ polymerization of monomers for polyphenylquinoxaline/graphite fiber composites

Science.gov (United States)

Serafini, T. T.; Delvigs, P.; Vannucci, R. D.

1974-01-01

Methods currently used to prepare fiber reinforced, high temperature resistant polyphenylquinoxaline (PPQ) composites employ extremely viscous, low solids content solutions of high molecular weight PPQ polymers. An improved approach, described in this report, consists of impregnating the fiber with a solution of the appropriate monomers instead of a solution of previously synthesized high molecular weight polymer. Polymerization of the monomers occurs in situ on the fiber during the solvent removal and curing stages. The in situ polymerization approach greatly simplifies the fabrication of PPQ graphite fiber composites. The use of low viscosity monomeric type solutions facilitates fiber wetting, permits a high solids content, and eliminates the need for prior polymer synthesis.

Synthesis of polyalkylacrylate nanolatexes by microemulsion polymerization method

Directory of Open Access Journals (Sweden)

A.M. Al-Sabagh

2012-12-01

Full Text Available The paper concerns with the radical polymerization of [octadecyl acrylate (ODA, isooctyl acrylate (iso-OA and α-olefins 1-Octene (n-O]. These microemulsions were stabilized by sodium dodecyl sulfate (SDS and initiated by water-soluble initiator potassium persulfate (KPS. The nanolatex particle sizes were determined by transmission electron microscope (TEM. They were situated between 10 and 100 nm. The microstructures were confirmed by FT-IR and molecular weights determined by Gel permeation chromatography (GPC. The obtained M. wt. were (≈70 × 103, 101 × 103 and 153 × 103 g/mol. The polydispersity, molecular weights, and particle sizes were discussed in the light of micelle formation and shape of the alkyl group via emulsion polymerization.

Micellar polymerization: Computer simulations by dissipative particle dynamics.

Science.gov (United States)

Shupanov, Ruslan; Chertovich, Alexander; Kos, Pavel

2018-07-15

Nowadays, micellar polymerization is widely used in different fields of industry and research, including modern living polymerization technique. However, this process has many variables and there is no comprehensive model to describe all features. This research presents simulation methodology which describes key properties of such reactions to take a guide through a variety of their modifications. Dissipative particle dynamics is used in addition to Monte Carlo scheme to simulate initiation, propagation, and termination events. Influence of initiation probability and different termination processes on final conversion and molecular-weight distribution are presented. We demonstrate that prolonged initiation leads to increasing in polymer average molecular weight, and surface termination events play major role in conversion limitation, in comparison with recombination. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Evaluation of metal-polymeric fixed partial prosthesis using optical coherence tomography

Science.gov (United States)

Sinescu, C.; Negrutiu, M. L.; Duma, V. F.; Marcauteanu, C.; Topala, F. I.; Rominu, M.; Bradu, A.; Podoleanu, A. Gh.

2013-11-01

Metal-Polymeric fixed partial prosthesis is the usual prosthetic treatment for many dental patients. However, during the mastication the polymeric component of the prosthesis is fractured and will be lost. This fracture is caused by the material defects or by the fracture lines trapped inside the esthetic components of the prosthesis. This will finally lead to the failure of the prosthetic treatment. Nowadays, there is no method of identification and forecast for the materials defects of the polymeric materials. The aim of this paper is to demonstrate the capability of Optical Coherence Tomography (OCT) as a non-invasive clinical method that can be used for the evaluation of metal-polymeric fixed partial prostheses. Twenty metal-polymeric fixed partial prostheses were used for this study. The esthetic component of the prostheses has been Adoro (Ivoclar). Optical investigations of the metal prostheses have revealed no material defects or fracture lines. All the prostheses were temporary cemented in the oral cavities of the patients for six month. The non-invasive method used for the investigations was OCT working in Time Domain mode at 1300 nm. The evaluations of the prostheses were performed before and after their cementation in the patient mouths. All the imagistic results were performed in 2D and than in 3D, after the reconstruction. The results obtained after the OCT evaluation allowed for the identification of 4 metal-polymeric fixed partial prostheses with material defects immediately after finishing the technological procedures. After 6 month in the oral environment other 3 fixed partial prostheses revealed fracture lines. In conclusion, OCT proved to be a valuable tool for the noninvasive evaluation of the metal-polymeric fixed partial prostheses.

Integrable couplings of the multi-component Dirac hierarchy and its Hamiltonian structure

International Nuclear Information System (INIS)

Li Zhu; Dong Huanhe

2008-01-01

Integrable couplings of the multi-component Dirac hierarchy is obtained by use of the vector loop algebra G ∼ M , then the Hamiltonian structure of the above system is given by the quadratic-form identity

Recognition and determination of bovine hemoglobin using a gold electrode modified with gold nanoparticles and molecularly imprinted self-polymerized dopamine

International Nuclear Information System (INIS)

Li, Lu; Fan, Limei; Dai, Yunlong; Kan, Xianwen

2015-01-01

A molecularly imprinted polymer (MIP) was prepared by self-polymerization of dopamine in the presence of bovine hemoglobin (BHb) and then deposited on the surface of an electrode modified with gold nanoparticles (AuNPs). Scanning electron microscopy, cyclic voltammetry, and differential pulse voltammetry were employed to characterize the modified electrode using the hexacyanoferrate redox system as an electroactive probe. The effects of BHb concentration, dopamine concentration, and polymerization time were optimized. Under optimized conditions, the modified electrode selectively recognizes BHb even in the presence of other proteins. The peak current for hexacyanoferrate, typically measured at + 0.17 V (vs. SCE), depends on the concentration of BHb in the 1.0 × 10 −11 to 1.0 × 10 −2 mg mL −1 range. Due to the ease of preparation and tight adherence of polydopamine to various support materials, the present strategy conceivably also provides a platform for the recognition and detection of other proteins. (author)

Controlled radical polymerization of an acrylamide containing L-alanine moiety via ATRP.

Science.gov (United States)

Rafiee, Zahra

2016-02-01

Homopolymerization of an optically active acrylamide having an amino acid moiety in the side chain, N-acryloyl-L-alanine (AAla) was carried out via atom transfer radical polymerization (ATRP) at room temperature using 2-hydroxyethyl-2'-methyl-2'-bromopropionate (HMB) or sodium-4-(bromomethyl)benzoate (SBB) as initiator in pure water, methanol/water mixture and pure methanol solvents. The polymerization reaction resulted in the optically active biocompatible amino acid-based homopolymer in good yield with narrow molecular weight distribution. The number average molecular weight increased with conversion and polydispersity was low. The structure and molecular weight of synthesized polymer were characterized by (1)H NMR, FT-IR spectroscopic techniques and size-exclusion chromatography.

Studies on the polymerization of acrolein oxime, 13

International Nuclear Information System (INIS)

Ota, Tadatoshi; Mori, Yoshikazu; Tamai, Harumi; Masuda, Seizo; Tanaka, Masami.

1980-01-01

The radiation-induced polymerization of acrolein oxime was carried out at temperatures ranging from room temperature to -78 0 C, and the resulting low molecular products were analyzed by gas chromatography-mass spectrometry. Acetaldoxime, propionaldoxime, propenylhydroxylamines, dioximes etc. were obtained. Initial processes of the polymerization are discussed on the basis of these reaction products. The present work offers further corroborating evidence for the already-described postulation that an anionic mechanism is operative above room temperature, and a cationic mechanism is predominant below -23 0 C. (author)

Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically resolved model (BAMS1) to soil carbon dynamics

Science.gov (United States)

Riley, W. J.; Maggi, F.; Kleber, M.; Torn, M. S.; Tang, J. Y.; Dwivedi, D.; Guerry, N.

2014-07-01

Accurate representation of soil organic matter (SOM) dynamics in Earth system models is critical for future climate prediction, yet large uncertainties exist regarding how, and to what extent, the suite of proposed relevant mechanisms should be included. To investigate how various mechanisms interact to influence SOM storage and dynamics, we developed an SOM reaction network integrated in a one-dimensional, multi-phase, and multi-component reactive transport solver. The model includes representations of bacterial and fungal activity, multiple archetypal polymeric and monomeric carbon substrate groups, aqueous chemistry, aqueous advection and diffusion, gaseous diffusion, and adsorption (and protection) and desorption from the soil mineral phase. The model predictions reasonably matched observed depth-resolved SOM and dissolved organic matter (DOM) stocks and fluxes, lignin content, and fungi to aerobic bacteria ratios. We performed a suite of sensitivity analyses under equilibrium and dynamic conditions to examine the role of dynamic sorption, microbial assimilation rates, and carbon inputs. To our knowledge, observations do not exist to fully test such a complicated model structure or to test the hypotheses used to explain observations of substantial storage of very old SOM below the rooting depth. Nevertheless, we demonstrated that a reasonable combination of sorption parameters, microbial biomass and necromass dynamics, and advective transport can match observations without resorting to an arbitrary depth-dependent decline in SOM turnover rates, as is often done. We conclude that, contrary to assertions derived from existing turnover time based model formulations, observed carbon content and Δ14C vertical profiles are consistent with a representation of SOM consisting of carbon compounds with relatively fast reaction rates, vertical aqueous transport, and dynamic protection on mineral surfaces.

Biomimetic polymeric membranes for water treatment

DEFF Research Database (Denmark)

Habel, Joachim Erich Otto

This project is about the interplay of the three major components of aquaporin based biomimetic polymeric membranes (ABPMs): Aquaporins (AQPs), amphiphilic block copolymers, serving as a vesicular matrix for the hydrophobic AQP exterior (proteopolymersomes) and a polymeric membrane as embedment....... The interplay of proteopolymersomes and polymeric mesh support (in this case polyethersulfone, PES) was examined via integration of proteopolymersomes in an active layer (AL) formed by interfacial polymerisation between a linker molecule in aqueous phase and another in organic phase on top of the PES....... The resulting thin-film composite (TFC) membrane was analyzed via cross-flow forward osmosis (FO), scanning electron microscopy (SEM), fourier-transformed infrared spectroscopy (FTIR), as well as in the non-supported form over FTIR and a specialized microfluidic visualization approach. Where no clear dierences...

Multi-component intermetallic electrodes for lithium batteries

Science.gov (United States)

Thackeray, Michael M; Trahey, Lynn; Vaughey, John T

2015-03-10

Multi-component intermetallic negative electrodes prepared by electrochemical deposition for non-aqueous lithium cells and batteries are disclosed. More specifically, the invention relates to composite intermetallic electrodes comprising two or more compounds containing metallic or metaloid elements, at least one element of which can react with lithium to form binary, ternary, quaternary or higher order compounds, these compounds being in combination with one or more other metals that are essentially inactive toward lithium and act predominantly, but not necessarily exclusively, to the electronic conductivity of, and as current collection agent for, the electrode. The invention relates more specifically to negative electrode materials that provide an operating potential between 0.05 and 2.0 V vs. metallic lithium.

Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease

Directory of Open Access Journals (Sweden)

Ladislau C. Kovari

2012-05-01

Full Text Available Designing HIV-1 protease inhibitors that overcome drug-resistance is still a challenging task. In this study, four clinical isolates of multi-drug resistant HIV-1 proteases that exhibit resistance to all the US FDA-approved HIV-1 protease inhibitors and also reduce the substrate recognition ability were examined. A multi-drug resistant HIV-1 protease isolate, MDR 769, was co-crystallized with the p2/NC substrate and the mutated CA/p2 substrate, CA/p2 P1’F. Both substrates display different levels of molecular recognition by the wild-type and multi-drug resistant HIV-1 protease. From the crystal structures, only limited differences can be identified between the wild-type and multi-drug resistant protease. Therefore, a wild-type HIV-1 protease and four multi-drug resistant HIV-1 proteases in complex with the two peptides were modeled based on the crystal structures and examined during a 10 ns-molecular dynamics simulation. The simulation results reveal that the multi-drug resistant HIV-1 proteases require higher desolvation energy to form complexes with the peptides. This result suggests that the desolvation of the HIV-1 protease active site is an important step of protease-ligand complex formation as well as drug resistance. Therefore, desolvation energy could be considered as a parameter in the evaluation of future HIV-1 protease inhibitor candidates.

Energetic Variational Approach to Multi-Component Fluid Flows

Science.gov (United States)

Kirshtein, Arkadz; Liu, Chun; Brannick, James

2017-11-01

In this talk I will introduce the systematic energetic variational approach for dissipative systems applied to multi-component fluid flows. These variational approaches are motivated by the seminal works of Rayleigh and Onsager. The advantage of this approach is that we have to postulate only energy law and some kinematic relations based on fundamental physical principles. The method gives a clear, quick and consistent way to derive the PDE system. I will compare different approaches to three-component flows using diffusive interface method and discuss their advantages and disadvantages. The diffusive interface method is an approach for modeling interactions among complex substances. The main idea behind this method is to introduce phase field labeling functions in order to model the contact line by smooth change from one type of material to another. The work of Arkadz Kirshtein and Chun Liu is partially supported by NSF Grants DMS-141200 and DMS-1216938.

Ionic polymerization of p-methoxystyrene and other styrene derivatives by radiation. [Gamma radiation

Energy Technology Data Exchange (ETDEWEB)

Hayashi, K; Pepper, D C [Trinity Coll., Dublin (Ireland)

1976-01-01

Polymerization of p-methoxystyrene by radiation was studied in bulk. Upon drying the monomer, the rate of polymerization, Rsub(p), became greater, changing its dose rate dependence from 0.5 to 1. The molecular weight distribution of the obtained polymers failed to give a bimodal curve; however, the peak molecular weight increased with higher Rsub(p). These kinetic features can be explained by a coexistence of radical and cationic mechanisms, as has been established in styrene, though there remain ambiguities about the effects of additives. Copolymerizations with styrene and 2-chloroethyl vinyl ether also showed a cationic nature for the reaction. A survey of possibilities of ionic polymerization by radiation was also carried out in ten ring-substituted styrene derivatives.

Exogenous Molecular Probes for Targeted Imaging in Cancer: Focus on Multi-modal Imaging

International Nuclear Information System (INIS)

Joshi, Bishnu P.; Wang, Thomas D.

2010-01-01

Cancer is one of the major causes of mortality and morbidity in our healthcare system. Molecular imaging is an emerging methodology for the early detection of cancer, guidance of therapy, and monitoring of response. The development of new instruments and exogenous molecular probes that can be labeled for multi-modality imaging is critical to this process. Today, molecular imaging is at a crossroad, and new targeted imaging agents are expected to broadly expand our ability to detect and manage cancer. This integrated imaging strategy will permit clinicians to not only localize lesions within the body but also to manage their therapy by visualizing the expression and activity of specific molecules. This information is expected to have a major impact on drug development and understanding of basic cancer biology. At this time, a number of molecular probes have been developed by conjugating various labels to affinity ligands for targeting in different imaging modalities. This review will describe the current status of exogenous molecular probes for optical, scintigraphic, MRI and ultrasound imaging platforms. Furthermore, we will also shed light on how these techniques can be used synergistically in multi-modal platforms and how these techniques are being employed in current research

Molecularly imprinted polymeric stir bar: Preparation and application for the determination of naftopidil in plasma and urine samples.

Science.gov (United States)

Peng, Jun; Xiao, Deli; He, Hua; Zhao, Hongyan; Wang, Cuixia; Shi, Tian; Shi, Kexin

2016-01-01

In this study, molecularly imprinting technology and stir bar absorption technology were combined to develop a microextraction approach based on a molecularly imprinted polymeric stir bar. The molecularly imprinted polymer stir bar has a high performance, is specific, economical, and simple to prepare. The obtained naftopidil-imprinted polymer-coated bars could simultaneously agitate and adsorb naftopidil in the sample solution. The ratio of template/monomer/cross-linker and conditions of template removal were optimized to prepare a stir bar with highly efficient adsorption. Fourier transform infrared spectroscopy, scanning electron microscopy, selectivity, and extraction capacity experiments showed that the molecularly imprinted polymer stir bar was prepared successfully. To utilize the molecularly imprinted polymer stir bar for the determination of naftopidil in complex body fluid matrices, the extraction time, stirring speed, eluent, and elution time were optimized. The limits of detection of naftopidil in plasma and urine sample were 7.5 and 4.0 ng/mL, respectively, and the recoveries were in the range of 90-112%. The within-run precision and between-run precision were acceptable (relative standard deviation bar based microextraction with high-performance liquid chromatography was a convenient, rapid, efficient, and specific method for the precise determination of trace naftopidil in clinical analysis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anionic Polymerization of Styrene and 1,3-Butadiene in the Presence of Phosphazene Superbases

KAUST Repository

Ntetsikas, Konstantinos

2017-10-23

The anionic polymerization of styrene and 1,3-butadiene in the presence of phosphazene bases (t-BuP4, t-BuP2 and t-BuP1), in benzene at room temperature, was studied. When t-BuP1 was used, the polymerization proceeded in a controlled manner, whereas the obtained homopolymers exhibited the desired molecular weights and narrow polydispersity (Ð < 1.05). In the case of t-BuP2, homopolymers with higher than the theoretical molecular weights and relatively low polydispersity were obtained. On the other hand, in the presence of t-BuP4, the polymerization of styrene was uncontrolled due to the high reactivity of the formed carbanion. The kinetic studies from the polymerization of both monomers showed that the reaction rate follows the order of [t-BuP4]/[sec-BuLi] >>> [t-BuP2]/[sec-BuLi] >> [t-BuP1]/[sec-BuLi] > sec-BuLi. Furthermore, the addition of t-BuP2 and t-BuP1 prior the polymerization of 1,3-butadiene allowed the synthesis of polybutadiene with a high 1,2-microstructure (~45 wt %), due to the delocalization of the negative charge. Finally, the one pot synthesis of well-defined polyester-based copolymers [PS-b-PCL and PS-b-PLLA, PS: Polystyrene, PCL: Poly(ε-caprolactone) and PLLA: Poly(L-lactide)], with predictable molecular weights and a narrow molecular weight distribution (Ð < 1.2), was achieved by sequential copolymerization in the presence of t-BuP2 and t-BuP1.

CONCERNING CHAIN GROWTH SPECIFIC REACTION RATE AS A PART OF THE PROCESS OF METHYL METHACRYLATE MASS RADICAL POLYMERIZATION

Directory of Open Access Journals (Sweden)

A. A. Sultanova

2017-02-01

Full Text Available It is the chain growth specific reaction rate that was determined for the process of methyl methacrylate mass radical polymerization within the temperature range of 40–900 С in quasi-steady approximation by means of Monte Carlo method. The theoretical model of radical polymerization was developed taking the gel effect into account. Computer software was developed that enables to imitate radical polymerization process taking gel effect into account within the minimum run time. The programme was tested on asymptotic examples as well as was applied for methyl methacrylate mass radical polymerization. The programme makes it possible to calculate monomer conversion, molecular mass variation, molecular-mass distribution, etc.

Microwave-assisted RAFT polymerization of well-constructed magnetic surface molecularly imprinted polymers for specific recognition of benzimidazole residues

Science.gov (United States)

Chen, Fangfang; Wang, Jiayu; Chen, Huiru; Lu, Ruicong; Xie, Xiaoyu

2018-03-01

Magnetic nanoparticles have been widely used as support core for fast separation, which could be directly separated from complicated matrices using an external magnet in few minutes. Surface imprinting based on magnetic core has shown favorable adsorption and separation performance, including good adsorption capacity, fast adsorption kinetics and special selectivity adsorption. Reversible addition-fragmentation chain transfer (RAFT) is an ideal choice for producing well-defined complex architecture with mild reaction conditions. We herein describe the preparation of well-constructed magnetic molecularly imprinted polymers (MMIPs) for the recognition of benzimidazole (BMZ) residues via the microwave-assisted RAFT polymerization. The merits of RAFT polymerization assisting with microwave heating allowed successful and more efficient preparation of well-constructed imprinted coats. Moreover, the polymerization time dramatically shortened and was just 1/24th of the time taken by conventional heating. The results indicated that a uniform nanoscale imprinted layer was formed on the Fe3O4 core successfully, and enough saturation magnetization of MMIPs (16.53 emu g-1) was got for magnetic separation. The desirable adsorption capacity (30.18 μmol g-1) and high selectivity toward template molecule with a selectivity coefficient (k) of 13.85 of MMIPs were exhibited by the adsorption isothermal assay and competitive binding assay, respectively. A solid phase extraction enrichment approach was successfully established for the determination of four BMZ residues from apple samples using MMIPs coupled to HPLC. Overall, this study provides a versatile approach for highly efficient fabrication of well-constructed MMIPs for enrichment and determination of target molecules from complicated samples.

Glycine Polymerization on Oxide Minerals

Science.gov (United States)

Kitadai, Norio; Oonishi, Hiroyuki; Umemoto, Koichiro; Usui, Tomohiro; Fukushi, Keisuke; Nakashima, Satoru

2017-06-01

It has long been suggested that mineral surfaces played an important role in peptide bond formation on the primitive Earth. However, it remains unclear which mineral species was key to the prebiotic processes. This is because great discrepancies exist among the reported catalytic efficiencies of minerals for amino acid polymerizations, owing to mutually different experimental conditions. This study examined polymerization of glycine (Gly) on nine oxide minerals (amorphous silica, quartz, α-alumina and γ-alumina, anatase, rutile, hematite, magnetite, and forsterite) using identical preparation, heating, and analytical procedures. Results showed that a rutile surface is the most effective site for Gly polymerization in terms of both amounts and lengths of Gly polymers synthesized. The catalytic efficiency decreased as rutile > anatase > γ-alumina > forsterite > α- alumina > magnetite > hematite > quartz > amorphous silica. Based on reported molecular-level information for adsorption of Gly on these minerals, polymerization activation was inferred to have arisen from deprotonation of the NH3 + group of adsorbed Gly to the nucleophilic NH2 group, and from withdrawal of electron density from the carboxyl carbon to the surface metal ions. The orientation of adsorbed Gly on minerals is also a factor influencing the Gly reactivity. The examination of Gly-mineral interactions under identical experimental conditions has enabled the direct comparison of various minerals' catalytic efficiencies and has made discussion of polymerization mechanisms and their relative influences possible Further systematic investigations using the approach reported herein (which are expected to be fruitful) combined with future microscopic surface analyses will elucidate the role of minerals in the process of abiotic peptide bond formation.

Glycine Polymerization on Oxide Minerals.

Science.gov (United States)

Kitadai, Norio; Oonishi, Hiroyuki; Umemoto, Koichiro; Usui, Tomohiro; Fukushi, Keisuke; Nakashima, Satoru

2017-06-01

It has long been suggested that mineral surfaces played an important role in peptide bond formation on the primitive Earth. However, it remains unclear which mineral species was key to the prebiotic processes. This is because great discrepancies exist among the reported catalytic efficiencies of minerals for amino acid polymerizations, owing to mutually different experimental conditions. This study examined polymerization of glycine (Gly) on nine oxide minerals (amorphous silica, quartz, α-alumina and γ-alumina, anatase, rutile, hematite, magnetite, and forsterite) using identical preparation, heating, and analytical procedures. Results showed that a rutile surface is the most effective site for Gly polymerization in terms of both amounts and lengths of Gly polymers synthesized. The catalytic efficiency decreased as rutile > anatase > γ-alumina > forsterite > α- alumina > magnetite > hematite > quartz > amorphous silica. Based on reported molecular-level information for adsorption of Gly on these minerals, polymerization activation was inferred to have arisen from deprotonation of the NH 3 + group of adsorbed Gly to the nucleophilic NH 2 group, and from withdrawal of electron density from the carboxyl carbon to the surface metal ions. The orientation of adsorbed Gly on minerals is also a factor influencing the Gly reactivity. The examination of Gly-mineral interactions under identical experimental conditions has enabled the direct comparison of various minerals' catalytic efficiencies and has made discussion of polymerization mechanisms and their relative influences possible Further systematic investigations using the approach reported herein (which are expected to be fruitful) combined with future microscopic surface analyses will elucidate the role of minerals in the process of abiotic peptide bond formation.

Monte Carlo simulation of non-linear free radical polymerization using a percolation kinetic gelation model (I): free radical homo polymerization

International Nuclear Information System (INIS)

Ghiass, M.; Dabir, B.; Nikazar, M.; Rey, A.D.; Mirzadeh, H.

2001-01-01

A kinetic gelation model that incorporates the kinetics of free radical homo polymerization is implemented to determine the effects of kinetics on polymerization statistics and microstructures. The simulation is performed on a simple cubic lattice that has 100 sites in each direction. A new algorithm for random selecting of the next step in a self-avoiding random walk and very efficient mechanisms of mobility of components are introduced to improve the generality of the predictions by removing commonly accruing deficiencies due to early trapping of radicals. A first order kinetics is considered for decomposition of initiator that enables us to consider the effect of temperature on polymerization reaction. Better understanding of microstructural evolution during polymerization and providing a framework to produce a realistic system of highly packed random chains within polymer network are among the benefits of model

Computational fluid dynamic modeling of fluidized-bed polymerization reactors

Energy Technology Data Exchange (ETDEWEB)

Rokkam, Ram [Iowa State Univ., Ames, IA (United States)

2012-01-01

Polyethylene is one of the most widely used plastics, and over 60 million tons are produced worldwide every year. Polyethylene is obtained by the catalytic polymerization of ethylene in gas and liquid phase reactors. The gas phase processes are more advantageous, and use fluidized-bed reactors for production of polyethylene. Since they operate so close to the melting point of the polymer, agglomeration is an operational concern in all slurry and gas polymerization processes. Electrostatics and hot spot formation are the main factors that contribute to agglomeration in gas-phase processes. Electrostatic charges in gas phase polymerization fluidized bed reactors are known to influence the bed hydrodynamics, particle elutriation, bubble size, bubble shape etc. Accumulation of electrostatic charges in the fluidized-bed can lead to operational issues. In this work a first-principles electrostatic model is developed and coupled with a multi-fluid computational fluid dynamic (CFD) model to understand the effect of electrostatics on the dynamics of a fluidized-bed. The multi-fluid CFD model for gas-particle flow is based on the kinetic theory of granular flows closures. The electrostatic model is developed based on a fixed, size-dependent charge for each type of particle (catalyst, polymer, polymer fines) phase. The combined CFD model is first verified using simple test cases, validated with experiments and applied to a pilot-scale polymerization fluidized-bed reactor. The CFD model reproduced qualitative trends in particle segregation and entrainment due to electrostatic charges observed in experiments. For the scale up of fluidized bed reactor, filtered models are developed and implemented on pilot scale reactor.

Effect of Inhibitors on Atom Transfer Radical Polymerization of MMA

Institute of Scientific and Technical Information of China (English)

张鸿; 徐冬梅; 张可达

2005-01-01

Effect of a series of inhibitors as additives on atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA) with FeCl2/PPh3 as catalyst system was studied, including 2,4,6-trinitrophenol (TNP), 4-methoxyphenol (4-MP), hydroquinone (HQ) and nitrobenzene (NB). It was found that TNP was the only. efficient additive for ATRP among these inhibitors. In the presence of small amounts of TNP, the polymerization proceeded rapidly after induction period to yield the polymers with controlled molecular weights and narrow molecular weight distributions (MWD). The initiating efficiency of the modified catalyst system with TNP was increased. The mechanism was proposed and confirmed by the end group analysis of the polymer.

Surface engineering: molecularly imprinted affinity membranes by photograft polymerization

Science.gov (United States)

Matuschewski, Heike; Sergeyeva, Tatiana A.; Bendig, Juergen; Piletsky, Sergey A.; Ulbricht, Matthies; Schedler, Uwe

2001-02-01

Commercial polymer microfiltration membranes were surface-modified with a graft copolymer of a functional monomer and a crosslinker in the presence of a template (triazine-herbicide). As result, membranes covered with a thin layer of imprinted polymer (MIP) selective to the template were obtained. The influence of the polymerization conditions on membrane recognition properties was studied by membranes

Fall detection in walking robots by multi-way principal component analysis

NARCIS (Netherlands)

Karssen, J.G.; Wisse, M.

2008-01-01

Large disturbances can cause a biped to fall. If an upcoming fall can be detected, damage can be minimized or the fall can be prevented. We introduce the multi-way principal component analysis (MPCA) method for the detection of upcoming falls. We study the detection capability of the MPCA method in

Chemical ageing and transformation of diffusivity in semi-solid multi-component organic aerosol particles

Science.gov (United States)

Pfrang, C.; Shiraiwa, M.; Pöschl, U.

2011-07-01

Recent experimental evidence underlines the importance of reduced diffusivity in amorphous semi-solid or glassy atmospheric aerosols. This paper investigates the impact of diffusivity on the ageing of multi-component reactive organic particles approximating atmospheric cooking aerosols. We apply and extend the recently developed KM-SUB model in a study of a 12-component mixture containing oleic and palmitoleic acids. We demonstrate that changes in the diffusivity may explain the evolution of chemical loss rates in ageing semi-solid particles, and we resolve surface and bulk processes under transient reaction conditions considering diffusivities altered by oligomerisation. This new model treatment allows prediction of the ageing of mixed organic multi-component aerosols over atmospherically relevant timescales and conditions. We illustrate the impact of changing diffusivity on the chemical half-life of reactive components in semi-solid particles, and we demonstrate how solidification and crust formation at the particle surface can affect the chemical transformation of organic aerosols.

Chemical ageing and transformation of diffusivity in semi-solid multi-component organic aerosol particles

Directory of Open Access Journals (Sweden)

C. Pfrang

2011-07-01

Full Text Available Recent experimental evidence underlines the importance of reduced diffusivity in amorphous semi-solid or glassy atmospheric aerosols. This paper investigates the impact of diffusivity on the ageing of multi-component reactive organic particles approximating atmospheric cooking aerosols. We apply and extend the recently developed KM-SUB model in a study of a 12-component mixture containing oleic and palmitoleic acids. We demonstrate that changes in the diffusivity may explain the evolution of chemical loss rates in ageing semi-solid particles, and we resolve surface and bulk processes under transient reaction conditions considering diffusivities altered by oligomerisation. This new model treatment allows prediction of the ageing of mixed organic multi-component aerosols over atmospherically relevant timescales and conditions. We illustrate the impact of changing diffusivity on the chemical half-life of reactive components in semi-solid particles, and we demonstrate how solidification and crust formation at the particle surface can affect the chemical transformation of organic aerosols.

AN ALTERNATIVE ROUTE TO PRODUCE STANDARDS FOR GEL PERMEATION CHROMATOGRAPHY USING NITROXIDE MEDIATED POLYMERIZATION

Directory of Open Access Journals (Sweden)

C. P. R. Malere

Full Text Available Abstract All over the world standards for Gel Permeation Chromatography (GPC are produced using ionic polymerization. Standards are commercialized in a broad range of molecular weight and their dispersity (Ð must be lower than 1.1. This work proposes the synthesis of polystyrene standards using Nitroxide Mediated Polymerization (NMP, an alternative technique to produce controlled polymers that is much more robust when compared to ionic polymerization. Standards with different ranges of molecular weights were obtained, all of them with very narrow molecular weight distribution (MWD and dispersity (Ð lower than 1.10. In order to do that, several combinations of different initiators were tested. Advanced GPC Triple Detector was used to obtain important properties, such as absolute number and weight average molecular weights, dispersity and intrinsic viscosity. The analytical method used in the characterization of the samples was in-house validated in terms of linearity, accuracy, precision, repeatability and robustness. The validation study demonstrated the quality of the measurements and ensured that the information obtained for a given analyte by the GPC technique is reliable.

Radiation-induced in-source polymerization of acrylonitrile in urea canal complex

International Nuclear Information System (INIS)

Yoshii, Fumio; Abe, Toshihiko; Kobayashi, Yasushi.

1975-01-01

Effect of reaction conditions on the radiation-induced in-source polymerization of acrylonitrile in urea canal complex and the properties of obtained polyacrylonitriles were investigated. The results were discussed in comparison with previously reported of the post-polymerization experiments. 1) Rate of polymerization and viscosity (eta sub(sp)/C) were the highest when the molar ratio of acrylonitrile to urea in canal complex was unity. Similar results were also obtained in the post-polymerization. However, eta sub(sp)/C exhibited different behavior on polymerization time in comparison with post-polymerization. 2) The initial rate (Rsub(p)) of polymerization is proportional to the dose rate (I) at low dose rate, but at high dose rates (above 2x10 5 r/hr) makes Rsub(p) proportional to Isup(0.5). 3) Molecular weight distribution become broader with increasing polymerization time and is broad as compared with those obtained by the post-polymerization. G-value of initiation of polymerization decreased with increasing polymerization time. These value was larger than the that obtained in the post-polymerization. 4) The stereoregularity of the polyacrylonitriles was independent of the molar ratio of acrylonitrile to urea in the canal complex and conversion. 5) The appearance of the polyacrylonitriles observed by the scanning electron microscope changed from curled string to extended one as the polymerization proceed. 6) Infrared spectrum revealed the ketenimine and cyclization structure in the polyacrylonitriles obtained below -100 0 C. The content of these abnormal structures increased with increasing conversion. (auth.)

Design, synthesis and molecular modeling of new 4-phenylcoumarin derivatives as tubulin polymerization inhibitors targeting MCF-7 breast cancer cells.

Science.gov (United States)

Batran, Rasha Z; Kassem, Asmaa F; Abbas, Eman M H; Elseginy, Samia A; Mounier, Marwa M

2018-07-23

A new set of 4-phenylcoumarin derivatives was designed and synthesized aiming to introduce new tubulin polymerization inhibitors as anti-breast cancer candidates. All the target compounds were evaluated for their cytotoxic effects against MCF-7 cell line, where compounds 2f, 3a, 3b, 3f, 7a and 7b, showed higher cytotoxic effect (IC 50  = 4.3-21.2 μg/mL) than the reference drug doxorubicin (IC 50  = 26.1 μg/mL), additionally, compounds 1 and 6b exhibited the same potency as doxorubicin (IC 50  = 25.2 and 28.0 μg/mL, respectively). The thiazolidinone derivatives 3a, 3b and 3f with potent and selective anticancer effects towards MCF-7 cells (IC 50  = 11.1, 16.7 and 21.2 μg/mL) were further assessed for tubulin polymerization inhibition effects which showed that the three compounds were potent tubulin polymerization suppressors with IC 50 values of 9.37, 2.89 and 6.13 μM, respectively, compared to the reference drug colchicine (IC 50  = 6.93 μM). The mechanistic effects on cell cycle progression and induction of apoptosis in MCF-7 cells were determined for compound 3a due to its potent and selective cytotoxic effects in addition to its promising tubulin polymerization inhibition potency. The results revealed that compound 3a induced cell cycle cessation at G2/M phase and accumulation of cells in pre-G1 phase and prevented its mitotic cycle, in addition to its activation of caspase-7 mediating apoptosis of MCF-7 cells. Molecular modeling studies for compounds 3a, 3b and 3f were carried out on tubulin crystallography, the results indicated that the compounds showed binding mode similar to the co-crystalized ligand; colchicine. Moreover, pharmacophore constructed models and docking studies revealed that thiazolidinone, acetamide and coumarin moieties are crucial for the activity. Molecular dynamics (MD) studies were carried out for the three compounds over 100 ps. MD results of compound 3a showed that it reached the stable state

Development and empirical validation of symmetric component measures of multi-dimensional constructs

DEFF Research Database (Denmark)

Sørensen, Hans Eibe; Slater, Stanley F.

2008-01-01

Atheoretical measure purification may lead to construct deficient measures. The purpose of this paper is to provide a theoretically driven procedure for the development and empirical validation of symmetric component measures of multi-dimensional constructs. We place particular emphasis on establ...

Simultaneous Contact Sensing and Characterizing of Mechanical and Dynamic Heat Transfer Properties of Porous Polymeric Materials

Directory of Open Access Journals (Sweden)

Bao-guo Yao

2017-10-01

Full Text Available Porous polymeric materials, such as textile fabrics, are elastic and widely used in our daily life for garment and household products. The mechanical and dynamic heat transfer properties of porous polymeric materials, which describe the sensations during the contact process between porous polymeric materials and parts of the human body, such as the hand, primarily influence comfort sensations and aesthetic qualities of clothing. A multi-sensory measurement system and a new method were proposed to simultaneously sense the contact and characterize the mechanical and dynamic heat transfer properties of porous polymeric materials, such as textile fabrics in one instrument, with consideration of the interactions between different aspects of contact feels. The multi-sensory measurement system was developed for simulating the dynamic contact and psychological judgment processes during human hand contact with porous polymeric materials, and measuring the surface smoothness, compression resilience, bending and twisting, and dynamic heat transfer signals simultaneously. The contact sensing principle and the evaluation methods were presented. Twelve typical sample materials with different structural parameters were measured. The results of the experiments and the interpretation of the test results were described. An analysis of the variance and a capacity study were investigated to determine the significance of differences among the test materials and to assess the gage repeatability and reproducibility. A correlation analysis was conducted by comparing the test results of this measurement system with the results of Kawabata Evaluation System (KES in separate instruments. This multi-sensory measurement system provides a new method for simultaneous contact sensing and characterizing of mechanical and dynamic heat transfer properties of porous polymeric materials.

[Establishment of modern multi-component sustained-release preparations of oral traditional Chinese medicines].

Science.gov (United States)

Xia, Hai-Jian; Zhang, Zhen-Hai; Liu, Dan; Yu, Dan-Hong; Jia, Xiao-Bin

2013-10-01

Traditional Chinese medicines have a long history, with a large quantity of efficient traditional Chinese medicines and prescriptions. However, the vast majority of pharmaceutical dose forms remain common preparations, with very few efficient, long-lasting and low-dose preparations. The sustain-release preparation allows sustained drug release in a longer period of time, maintains blood drug concentration, reduces the toxic effect and medication frequency, and improves medication compliance. Unlike monomer drugs, the material base of traditional Chinese medicine and compounds is multi-component, instead of single or several active monomers. Therefore, under the guidance of the Chinese medicine theories, modern multi-component sustained-release preparations were developed for oral traditional Chinese medicines, with the aim of finally improving the clinical efficacy of traditional Chinese medicines.

MULTI-COMPONENT ANALYSIS OF POSITION-VELOCITY CUBES OF THE HH 34 JET

International Nuclear Information System (INIS)

Rodríguez-González, A.; Esquivel, A.; Raga, A. C.; Cantó, J.; Curiel, S.; Riera, A.; Beck, T. L.

2012-01-01

We present an analysis of Hα spectra of the HH 34 jet with two-dimensional spectral resolution. We carry out multi-Gaussian fits to the spatially resolved line profiles and derive maps of the intensity, radial velocity, and velocity width of each of the components. We find that close to the outflow source we have three components: a high (negative) radial velocity component with a well-collimated, jet-like morphology; an intermediate velocity component with a broader morphology; and a positive radial velocity component with a non-collimated morphology and large linewidth. We suggest that this positive velocity component is associated with jet emission scattered in stationary dust present in the circumstellar environment. Farther away from the outflow source, we find only two components (a high, negative radial velocity component, which has a narrower spatial distribution than an intermediate velocity component). The fitting procedure was carried out with the new AGA-V1 code, which is available online and is described in detail in this paper.

Imidazoline and imidazolidine nitroxides as controlling agents in nitroxide-mediated pseudoliving radical polymerization

Science.gov (United States)

Edeleva, M. V.; Marque, S. R. A.; Bagryanskaya, E. G.

2018-04-01

Controlled, or pseudoliving, radical polymerization provides unique opportunities for the synthesis of structurally diverse polymers with a narrow molecular-weight distribution. These reactions occur under relatively mild conditions with broad tolerance to functional groups in the monomers. The nitroxide-mediated pseudoliving radical polymerization is of particular interest for the synthesis of polymers for biomedical applications. This review briefly describes one of the mechanisms of controlled radical polymerization. The studies dealing with the use of imidazoline and imidazolidine nitroxides as controlling agents for nitroxide-mediated pseudoliving radical polymerization of various monomers are summarized and analyzed. The publications addressing the key steps of the controlled radical polymerization in the presence of imidazoline and imidazolidine nitroxides and new approaches to nitroxide-mediated polymerization based on protonation of both nitroxides and monomers are considered. The bibliography includes 154 references.

Non-enzymatic Polymerization of Nucleic Acids from Monomers

DEFF Research Database (Denmark)

Dörr, Mark; Löffler, Philipp M. G.; Monnard, Pierre-Alain

2012-01-01

synthesis of long nucleic acid polymers or to sequence-specifically amplify nucleic acid polymers, respectively. Starting from molecular requirements, details of the polymerization mechanisms and strategies are first presented and then compared. Finally, we discuss the relevance of these strategies...

Preparation of molecularly imprinted nanoparticles with superparamagnetic susceptibility through atom transfer radical emulsion polymerization for the selective recognition of tetracycline from aqueous medium

International Nuclear Information System (INIS)

Dai, Jiangdong; Pan, Jianming; Xu, Longcheng; Li, Xiuxiu; Zhou, Zhiping; Zhang, Rongxian; Yan, Yongsheng

2012-01-01

Highlights: ► Atom transfer radical emulsion polymerization is a “living” and green technique. ► Nanoparticles can overcome mass transfer limitations and improve accessibility. ► Molecular imprinted nanoparticles with magnetic property for fast separation. ► The performance of imprinted nanoparticles was investigated in detail. ► Nanoparticles were used to selective recognize Tetracycline from water medium. - Abstract: In the work, we reported an effective method for the preparation of molecularly imprinted nanoparticles with superparamagnetic susceptibility through atom transfer radical emulsion polymerization (ATREP), and then as-prepared magnetic molecularly imprinted nanoparticles (MMINs) were evaluated as adsorbents for selective recognition of tetracycline (TC) molecules from aqueous medium. The resulting nanoparticles were characterized by FT-IR, TGA, VSM, SEM and TEM. The results demonstrated MMINs with a narrow diameter distribution were cross-linked with modified Fe 3 O 4 particles, composed of imprinted layer and exhibited good magnetic sensitivity, magnetic and thermal stability. Batch rebinding studies were carried out to determine the specific adsorption equilibrium, kinetics, and selective recognition. The estimated adsorption capacity of MMINs towards TC by the Langmuir isotherm model was 12.10 mg g −1 at 298 K, which was 6.33 times higher than that of magnetic non-molecularly imprinted nanoparticles (MNINs). The kinetic property of MMINs was well-described by the pseudo-second-order rate equation. The results of selective recognition experiments demonstrated outstanding affinity and selectivity towards TC over competitive antibiotics. The reusability of MMINs showed no obviously deterioration at least five repeated cycles in performance. In addition, the MMINs prepared were successfully applied to the extraction of TC from the spiked pork sample.

Novel Zinc-Catalytic Systems for Ring-Opening Polymerization of ε-Caprolactone

Directory of Open Access Journals (Sweden)

Karolina Żółtowska

2015-02-01

Full Text Available Polycaprolactone (PCL is a biodegradable synthetic polymer that is currently widely used in many pharmaceutical and medical applications. In this paper we describe the coordination ring-opening polymerization of ε-caprolactone in the presence of two newly synthesized catalytic systems: diethylzinc/gallic acid and diethylzinc/propyl gallate. The chemical structures of the obtained PCLs were characterized by 1H- or 13C-NMR, FTIR spectroscopy and MALDI TOF mass spectrometry. The average molecular weight of the resulting polyesters was analysed by gel permeation chromatography and a viscosity method. The effects of temperature, reaction time and type of catalytic system on the polymerization process were examined. Linear PCLs with defined average molecular weight were successfully obtained. Importantly, in some cases the presence of macrocyclic products was not observed during the polymerization process. This study provides an effective method for the synthesis of biodegradable polyesters for medical and pharmaceutical applications due to the fact that gallic acid/propyl gallate are commonly used in the pharmaceutical industry.

New method to access hyperbranched polymers with uniform structure via one-pot polymerization of inimer in microemulsion.

Science.gov (United States)

Min, Ke; Gao, Haifeng

2012-09-26

A facile approach is presented for successful synthesis of hyperbranched polymers with high molecular weight and uniform structure by a one-pot polymerization of an inimer in a microemulsion. The segregated space in the microemulsion confined the inimer polymerization and particularly the polymer-polymer reaction within discrete nanoparticles. At the end of polymerization, each nanoparticle contained one hyperbranched polymer that had thousands of inimer units and low polydispersity. The hyperbranched polymers were used as multifunctional macroinitiators for synthesis of "hyper-star" polymers. When a degradable inimer was applied, the hyper-stars showed fast degradation into linear polymer chains with low molecular weight.

Kinetic modelling of slurry polymerization of ethylene with a polymer supported Ziegler-Natta catalyst (hydrogen)

Energy Technology Data Exchange (ETDEWEB)

Shariati, A.

1996-12-31

The kinetics of polymerization of ethylene catalyzed by a polymer supported Ziegler-Natta catalyst were investigated in a semi-batch reactor system. The influences of six polymerization variables were investigated using a central composite design. The variables were monomer partial pressure, catalyst loading, co-catalyst loading, catalyst particle size and hydrogen to monomer ratio. The influence of temperature on rate and polymer properties were investigated. Empirical models were fitted to the experimental data to quantify the effects of the polymerization variables on the rate characteristics and polymer properties. The rate of polymerization exhibited a first order dependency with respect to monomer partial pressure, but a nonlinear relationship with respect to catalyst loading. In the absence of hydrogen, the polymerization rate showed a non-decaying profile at the centre point conditions for the other variables. Catalyst loading and catalyst particle size had a negligible effect on weight-and-number-average molecular weights, while increasing co-catalysts loading lowered the molecular weights, as did increased temperature and hydrogen concentration. refs., figs.

The polysaccharide and low molecular weight components of Opuntia ficus indica cladodes: Structure and skin repairing properties.

Science.gov (United States)

Di Lorenzo, Flaviana; Silipo, Alba; Molinaro, Antonio; Parrilli, Michelangelo; Schiraldi, Chiara; D'Agostino, Antonella; Izzo, Elisabetta; Rizza, Luisa; Bonina, Andrea; Bonina, Francesco; Lanzetta, Rosa

2017-02-10

The Opuntia ficus-indica multiple properties are reflected in the increasing interest of chemists in the identification of its natural components having pharmaceutical and/or cosmetical applications. Here we report the structural elucidation of Opuntia ficus-indica mucilage that highlighted the presence of components differing for their chemical nature and the molecular weight distribution. The high molecular weight components were identified as a linear galactan polymer and a highly branched xyloarabinan. The low molecular weight components were identified as lactic acid, D-mannitol, piscidic, eucomic and 2-hydroxy-4-(4'-hydroxyphenyl)-butanoic acids. A wound healing assay was performed in order to test the cicatrizing properties of the various components, highlighting the ability of these latter to fasten dermal regeneration using a simplified in vitro cellular model based on a scratched keratinocytes monolayer. The results showed that the whole Opuntia mucilage and the low molecular weight components are active in the wound repair. Copyright © 2016 Elsevier Ltd. All rights reserved.

RADIOCHEMICAL YIELDS OF GRAFT POLYMERIZATION REACTIONS OF CELLULOSE

Energy Technology Data Exchange (ETDEWEB)

Arthur, Jr, J C; Blouin, F A

1963-12-15

The preparation of radioinduced graft polymers of cotton cellulose, while retaining the fibrous nature and high molecular weight of the cellulose, depended primarily on the radiochemical yields of cellulose reactions and of graft polymerization reactions. Yields of the initial major molecular changes in cellulosic polymer indicated that, in the case of scission of the molecule and carboxyl group formation, chain reactions were not initiated by radiation; however, in the case of carbonyl group formation chain reactions were initiated but quickly terminated. Generally, experimental procedures, used in graft polymerization reactions, were: simultaneous irradiation reactions, that is, application of monomers or solutions of monomers to cellulose or chemically modified celluloses, then irradiation; and post-irradiation reactions, that is, irradiation of cellulose or chemically modified celluloses, then after removal from the field of radiation, contacting the irradiated cellulose with monomer. Some of the most important factors influencing the radiochemical yields of graft polymerization reactions, of styrene and acrylonitrile onto cellulose were: concentration of monomer in treating solution; solvent; ratio of monomer solution to cellulose; prior chemical modification of cellulose; and absence of oxygen, particularly in post-irradiation reactions. Experimental data are presented, and the direct and indirect effects of Co/sup 60/ gamma radiation on these reactions are discussed. (auth)

[Evaluate drug interaction of multi-components in Morus alba leaves based on α-glucosidase inhibitory activity].

Science.gov (United States)

Ji, Tao; Su, Shu-Lan; Guo, Sheng; Qian, Da-Wei; Ouyang, Zhen; Duan, Jin-Ao

2016-06-01

Column chromatography was used for enrichment and separation of flavonoids, alkaloids and polysaccharides from the extracts of Morus alba leaves; glucose oxidase method was used with sucrose as the substrate to evaluate the multi-components of M. alba leaves in α-glucosidase inhibitory models; isobole method, Chou-Talalay combination index analysis and isobolographic analysis were used to evaluate the interaction effects and dose-effect characteristics of two components, providing scientific basis for revealing the hpyerglycemic mechanism of M. alba leaves. The components analysis showed that flavonoid content was 5.3%; organic phenolic acids content was 10.8%; DNJ content was 39.4%; and polysaccharide content was 18.9%. Activity evaluation results demonstrated that flavonoids, alkaloids and polysaccharides of M. alba leaves had significant inhibitory effects on α-glucosidase, and the inhibitory rate was increased with the increasing concentration. Alkaloids showed most significant inhibitory effects among these three components. Both compatibility of alkaloids and flavonoids, and the compatibility of alkaloids and polysaccharides demonstrated synergistic effects, but the compatibility of flavonoids and polysaccharides showed no obvious synergistic effects. The results have confirmed the interaction of multi-components from M. alba leaves to regulate blood sugar, and provided scientific basis for revealing hpyerglycemic effectiveness and mechanism of the multi-components from M. alba leaves. Copyright© by the Chinese Pharmaceutical Association.

Click polymerization for the synthesis of reduction-responsive polymeric prodrug

Science.gov (United States)

Zhang, Xiaojin; Wang, Hongquan; Dai, Yu

2018-05-01

Click polymerization is a powerful polymerization technique for the construction of new macromolecules with well-defined structures and multifaceted functionalities. Here, we synthesize reduction-responsive polymeric prodrug PEG- b-(PSS- g-MTX)- b-PEG containing disulfide bonds and pendant methotrexate (MTX) via two-step click polymerization followed by conjugating MTX to pendant hydroxyl. MTX content in polymeric prodrug is 13.5%. Polymeric prodrug is able to form polymeric micelles by self-assembly in aqueous solution. Polymeric micelles are spherical nanoparticles with tens of nanometers in size. Of note, polymeric micelles are reduction-responsive due to disulfide bonds in the backbone of PEG- b-(PSS- g-MTX)- b-PEG and could release pendant drugs in the presence of the reducing agents such as dl-dithiothreitol (DTT).

Maintenance grouping strategy for multi-component systems with dynamic contexts

International Nuclear Information System (INIS)

Vu, Hai Canh; Do, Phuc; Barros, Anne; Bérenguer, Christophe

2014-01-01

This paper presents a dynamic maintenance grouping strategy for multi-component systems with both “positive” and “negative” economic dependencies. Positive dependencies are commonly due to setup cost whereas negative dependencies are related to shutdown cost. Actually, grouping maintenance activities can save part of the setup cost, but can also in the same time increase the shutdown cost. Until now, both types of dependencies have been jointly taken into account only for simple system structures as pure series. The first aim of this paper is to investigate the case of systems with any combination of basic structures (series, parallel or k-out-of n structures). A cost model and a heuristic optimization scheme are proposed since the optimization of maintenance grouping strategy for such multi-component systems leads to a NP-complete problem. Then the second objective is to propose a finite horizon (dynamic) model in order to optimize online the maintenance strategy in the presence of dynamic contexts (change of the environment, the working condition, the production process, etc). A numerical example of a 16-component system is finally introduced to illustrate the use and the advantages of the proposed approach in the maintenance optimization framework. - Highlights: • A dynamic grouping maintenance strategy for complex structure systems is proposed. • Impacts of the system structure on grouping maintenance are investigated. • A grouping approach based on the rolling horizon and GA algorithm is proposed. • Different dynamic contexts and their impacts on grouping maintenance are studied. • The proposed approach can help to update the maintenance planning in dynamic contexts

Synthesis and reforming of high molecular-weigth compounds by the utilization of radiation

International Nuclear Information System (INIS)

Machi, Sueo

1976-01-01

Radiation effects on the synthesis are reforming of high molecular-weight compounds are reviewed. The report is divided into four main parts. The first part deals with the characteristics of the radiation processing. The reaction can be started in a wide range of temperature including very low temperature. Catalysts are unnecessary. The reaction velocity is fast, and the reaction in solid phase can be started uniformly. And the quality of products is well controllable. The second part deals with the synthesis of high molecular-weight compounds by radiation polymerization. Radical polymerization and ionizing polymerization, gas phase and liquid phase polymerization, the polymerization and copolymerization of fluorine-containing monomers, and solid phase polymerization and low temperature polymerization are included in this part. Attention is directed to the continuous production system for the radiation polymerization of ethylene developed by Japan Atomic Energy Research Institute. The third part deals with the reforming of high molecular-weight compounds by radiation graft polymerization. The combination of backbone polymers and monomers for reforming plastics and fibers, the membranes for reverse osmosis, porous membranes, and ion exchange membranes are included. The fourth part deals with the reforming of high molecular-weight compounds by the cross-linking. Polyethylene, PVC, ethyl acrylate copolymer and the like are included. (Iwakiri, K.)

High-speed organocatalytic polymerization of a renewable methylene butyrolactone by a phosphazene superbase

KAUST Repository

Schmitt, Meghan L.; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene You Xian

2014-01-01

The organic phosphazene superbase, 1-tert-butyl-4,4,4-tris(dimethylamino)- 2,2-bis[tris(dimethylamino)phosphoranylid-enamino]-2λ5, 4λ5-catenadi(phosphazene) (t-Bu-P4), is found to directly initiate high-speed polymerization of the biomass-derived renewable γ-methyl-α-methylene-γ-butyrolactone (MMBL), in contrast to other polymerization systems using t-Bu-P4 which typically require addition of an organic acid or a nucleophile as a co-initiating component. This MMBL polymerization by t-Bu-P4 alone is extremely rapid; even with a low t-Bu-P4 loading of 0.1 mol% or 0.02 mol%, quantitative monomer conversion is achieved in 20 s or 1 min, respectively, affording medium to high molecular weight PMMBL bioplastics in a catalytic fashion. The combined experimental and theoretical/computational studies have yielded mechanisms of chain initiation through abstraction of a proton from a monomer by t-Bu-P 4, essentially barrier-less chain propagation through rapid conjugate addition of the enolate anion stabilized by the nano-size cation [t-Bu-P 4H]+ to the monomer, and chain termination through chain transfer to the monomer which generates a saturated termination chain end and the [t-Bu-P4H]+-stabilized anionic active species that starts a new chain. This journal is © the Partner Organisations 2014.

Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically-resolved model (TOUGHREACTv1) to soil carbon dynamics

Science.gov (United States)

Riley, W. J.; Maggi, F. M.; Kleber, M.; Torn, M. S.; Tang, J. Y.; Dwivedi, D.; Guerry, N.

2014-01-01

Accurate representation of soil organic matter (SOM) dynamics in Earth System Models is critical for future climate prediction, yet large uncertainties exist regarding how, and to what extent, the suite of proposed relevant mechanisms should be included. To investigate how various mechanisms interact to influence SOM storage and dynamics, we developed a SOM reaction network integrated in a one-dimensional, multi-phase, and multi-component reactive transport solver. The model includes representations of bacterial and fungal activity, multiple archetypal polymeric and monomeric carbon substrate groups, aqueous chemistry, aqueous advection and diffusion, gaseous diffusion, and adsorption (and protection) and desorption from the soil mineral phase. The model predictions reasonably matched observed depth-resolved SOM and dissolved organic carbon (DOC) stocks in grassland ecosystems as well as lignin content and fungi to aerobic bacteria ratios. We performed a suite of sensitivity analyses under equilibrium and dynamic conditions to examine the role of dynamic sorption, microbial assimilation rates, and carbon inputs. To our knowledge, observations do not exist to fully test such a complicated model structure or to test the hypotheses used to explain observations of substantial storage of very old SOM below the rooting depth. Nevertheless, we demonstrated that a reasonable combination of sorption parameters, microbial biomass and necromass dynamics, and advective transport can match observations without resorting to an arbitrary depth-dependent decline in SOM turnover rates, as is often done. We conclude that, contrary to assertions derived from existing turnover time based model formulations, observed carbon content and δ14C vertical profiles are consistent with a representation of SOM dynamics consisting of (1) carbon compounds without designated intrinsic turnover times, (2) vertical aqueous transport, and (3) dynamic protection on mineral surfaces.

Pulsed-laser polymerization in compartmentalized liquids. 1. Polymerization in vesicles

NARCIS (Netherlands)

Jung, M.; Casteren, van I.A.; Monteiro, M.J.; Herk, van A.M.; German, A.L.

2000-01-01

Polymerization in vesicles is a novel type of polymerization in heterogeneous media, leading to parachute-like vesicle-polymer hybrid morphologies. To explore the kinetics of vesicle polymerizations and to learn more about the actual locus of polymerization we applied the pulsed-laser polymerization

Polymeric nanomedicine for cancer MR imaging and drug delivery.

Science.gov (United States)

Khemtong, Chalermchai; Kessinger, Chase W; Gao, Jinming

2009-06-28

Multifunctional nanomedicine is emerging as a highly integrated platform that allows for molecular diagnosis, targeted drug delivery, and simultaneous monitoring and treatment of cancer. Advances in polymer and materials science are critical for the successful development of these multi-component nanocomposites in one particulate system with such a small size confinement (nanoscopic therapeutic and diagnostic systems have been translated into clinical practice. In this feature article, we will provide an up-to-date review on the development and biomedical applications of nanocomposite materials for cancer diagnosis and therapy. An overview of each functional component, i.e. polymer carriers, MR imaging agents, and therapeutic drugs, will be presented. Integration of different functional components will be illustrated in several highlighted examples to demonstrate the synergy of the multifunctional nanomedicine design.

Synthesis of core-shell molecularly imprinted polymer microspheres by precipitation polymerization for the inline molecularly imprinted solid-phase extraction of thiabendazole from citrus fruits and orange juice samples.

Science.gov (United States)

Barahona, Francisco; Turiel, Esther; Cormack, Peter A G; Martín-Esteban, Antonio

2011-01-01

In this work, the synthesis of molecularly imprinted polymer microspheres with narrow particle size distributions and core-shell morphology by a two-step precipitation polymerization procedure is described. Polydivinylbenzene (poly DVB-80) core particles were used as seed particles in the production of molecularly imprinted polymer shells by copolymerization of divinylbenzene-80 with methacrylic acid in the presence of thiabendazole (TBZ) and an appropriate porogen. Thereafter, polymer particles were packed into refillable stainless steel HPLC columns used in the development of an inline molecularly imprinted SPE method for the determination of TBZ in citrus fruits and orange juice samples. Under optimized chromatographic conditions, recoveries of TBZ within the range 81.1-106.4%, depending upon the sample, were obtained, with RSDs lower than 10%. This novel method permits the unequivocal determination of TBZ in the samples under study, according to the maximum residue levels allowed within Europe, in less than 20 min and without any need for a clean-up step in the analytical protocol. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining

Directory of Open Access Journals (Sweden)

Qiaokang Liang

2016-11-01

Full Text Available Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing.

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining.

Science.gov (United States)

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-11-16

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing.

Formalizing Knowledge in Multi-Scale Agent-Based Simulations.

Science.gov (United States)

Somogyi, Endre; Sluka, James P; Glazier, James A

2016-10-01

Multi-scale, agent-based simulations of cellular and tissue biology are increasingly common. These simulations combine and integrate a range of components from different domains. Simulations continuously create, destroy and reorganize constituent elements causing their interactions to dynamically change. For example, the multi-cellular tissue development process coordinates molecular, cellular and tissue scale objects with biochemical, biomechanical, spatial and behavioral processes to form a dynamic network. Different domain specific languages can describe these components in isolation, but cannot describe their interactions. No current programming language is designed to represent in human readable and reusable form the domain specific knowledge contained in these components and interactions. We present a new hybrid programming language paradigm that naturally expresses the complex multi-scale objects and dynamic interactions in a unified way and allows domain knowledge to be captured, searched, formalized, extracted and reused.

Lab-on-chip components for molecular detection

Science.gov (United States)

Adam, Tijjani; Dhahi, Th S.; Mohammed, Mohammed; Hashim, U.; Noriman, N. Z.; Dahham, Omar S.

2017-09-01

We successfully fabricated Lab on chip components and integrated for possible use in biomedical application. The sensor was fabricated by using conventional photolithography method integrated with PDMS micro channels for smooth delivery of sample to the sensing domain. The sensor was silanized and aminated with 3-Aminopropyl triethoxysilane (APTES) to functionalize the surface with biomolecules and create molecular binding chemistry. The resulting Si-O-Si- components were functionalized with oligonucleotides probe of HPV, which interacted with the single stranded HPV DNA target to create a field across on the device. The fabrication, immobilization and hybridization processes were characterized with current voltage (I-V) characterization (KEITHLEY, 6487). The sensor show selectivity for the HPV DNA target in a linear range from concentration 0.1 nM to 1 µM. This strategy presented a simple, rapid and sensitive platform for HPV detection and would become a powerful tool for pathogenic microorganisms screening in clinical diagnosis.

Neural Network Models for Free Radical Polymerization of Methyl Methacrylate

International Nuclear Information System (INIS)

Curteanu, S.; Leon, F.; Galea, D.

2003-01-01

In this paper, a neural network modeling of the batch bulk methyl methacrylate polymerization is performed. To obtain conversion, number and weight average molecular weights, three neural networks were built. Each was a multilayer perception with one or two hidden layers. The choice of network topology, i.e. the number of hidden layers and the number of neurons in these layers, was based on achieving a compromise between precision and complexity. Thus, it was intended to have an error as small as possible at the end of back-propagation training phases, while using a network with reduced complexity. The performances of the networks were evaluated by comparing network predictions with training data, validation data (which were not uses for training), and with the results of a mechanistic model. The accurate predictions of neural networks for monomer conversion, number average molecular weight and weight average molecular weight proves that this modeling methodology gives a good representation and generalization of the batch bulk methyl methacrylate polymerization. (author)

CO2 Removal from Multi-component Gas Mixtures Utilizing Spiral-Wound Asymmetric Membranes

International Nuclear Information System (INIS)

Said, W.B.; Fahmy, M.F.M.; Gad, F.K.; EI-Aleem, G.A.

2004-01-01

A systematic procedure and a computer program have been developed for simulating the performance of a spiral-wound gas permeate for the CO 2 removal from natural gas and other hydrocarbon streams. The simulation program is based on the approximate multi-component model derived by Qi and Henson(l), in addition to the membrane parameters achieved from the binary simulation program(2) (permeability and selectivity). Applying the multi-component program on the same data used by Qi and Henson to evaluate the deviation of the approximate model from the basic transport model, showing results more accurate than those of the approximate model, and are very close to those of the basic transport model, while requiring significantly less than 1 % of the computation time. The program was successfully applied on the data of Salam gas plant membrane unit at Khalda Petroleum Company, Egypt, for the separation of CO 2 from hydrocarbons in an eight-component mixture to estimate the stage cut, residue, and permeate compositions, and gave results matched with the actual Gas Chromatography Analysis measured by the lab

The measurement and effect of implementation fidelity in the multi component smoking intervention: The X:IT study

DEFF Research Database (Denmark)

Bast, Lotus Sofie

2016-01-01

-based smoking prevention programs have been launched over the past three decades, and generally multi component initiatives are recommended. The effects have been inconclusive, though, which may partly be due to lack of implementation, but little evidence exists on the implementation of school-based smoking....... Methods: My three papers were based on the school-randomized X:IT study, which tested a multi component intervention to prevent smoking among adolescents in 94 Danish elementary schools (51 intervention and 43 control schools). Participants were grade 7 pupils (mean age: 12.5 years). We collected data......Title: The measurement and effect of implementation fidelity in the multi component smoking intervention: The X:IT study Background: Careful measurement of implementation fidelity is crucial in the examination of whether an intervention worked as intended or not. A large number of school...

A New Initiator Cholesteryl Chloroformate for Cupper-Based Atom Transfer Radical Polymerization of Methyl Methacrylate

Institute of Scientific and Technical Information of China (English)

曹健; 楚娟; 张可达

2004-01-01

The polymerization of metyl methacrylate (MMA) was studied in detail by use of CuCl/L as a catalyst and cholesteryl chloroformate (CC) as an initiator. It was found that the atom transfer radical polymerization of MMA could proceed when L equals to a multidentate aliphatic amine ligand, N,N,N',N",N"-penta(methyl acrylate)diethylenetriamine (MA5-DETA), and no polymerization was occurred while L=2,2'-bipyridine and 1,10-phenanthroline. The linear proportionality of the molecular weights to the conversions and straight lines observed in ln[M]0/[M] versus time plots indicated that the present polymerization system had the typical controlled polymerization characteristics.

Microencapsulated Comb-Like Polymeric Solid-Solid Phase Change Materials via In-Situ Polymerization

Directory of Open Access Journals (Sweden)

Wei Li

2018-02-01

Full Text Available To enhance the thermal stability and permeability resistance, a comb-like polymer with crystallizable side chains was fabricated as solid-solid phase change materials (PCMs inside the cores of microcapsules and nanocapsules prepared via in-situ polymerization. In this study, the effects on the surface morphology and microstructure of micro/nanocapsules caused by microencapsulating different types of core materials (i.e., n-hexadecane, ethyl hexadecanoate, hexadecyl acrylate and poly(hexadecyl acrylate were systematically studied via field emission scanning electron microscope (FE-SEM and transmission electron microscope (TEM. The confined crystallization behavior of comb-like polymer PCMs cores was investigated via differential scanning calorimeter (DSC. Comparing with low molecular organic PCMs cores, the thermal stability of PCMs microencapsulated comb-like polymer enhanced significantly, and the permeability resistance improved obviously as well. Based on these resultant analysis, the microencapsulated comb-like polymeric PCMs with excellent thermal stability and permeability resistance showed promising foreground in the field of organic solution spun, melt processing and organic coating.

short communication synthesis and crystal structure of a polymeric

African Journals Online (AJOL)

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A new polymeric zinc(II) complex, [ZnL2(PDA)]n, has been prepared by the reaction of zinc sulfate ... complex has been characterized by single-crystal X-ray diffraction. .... Molecular structure of the complex at 30% probability displacement.

Surface force analysis of molecular interfacial interactions of proteins and lipids with polymeric biomaterials

International Nuclear Information System (INIS)

Hamilton-Brown, P.; Griesser, H.J.; Meagher, L.

2001-01-01

Full text: Adverse biological responses to biomedical devices are often caused by the irreversible accumulation of biological deposits onto the surfaces of devices. Such deposits cause blocking of artificial blood vessels, fibrous encapsulation of soft tissue regenerative devices, 'fouling' of contact lenses, secondary cataracts on intraocular lenses, and other undesirable events that interfere with the intended functions of biomedical devices. The formation of deposits is triggered by an initial stage in which various proteins and lipids rapidly adsorb onto the synthetic material surface; further biological molecules and ultimately cellular entities (e.g., host cells, bacteria) then settle onto the initial adsorbed layer. Hence, to avoid or control the accumulation of biological deposits, molecular understanding is required of the initial adsorption processes. Such adsorption is caused by attractive interfacial forces, which we are characterising by the use of a novel method. In the present study, polymeric thin film coatings, polyethylene oxide (PEO), and polysaccharide coatings have been analysed in terms of their surface forces and the ensuing propensity for protein and lipid adsorption. Interfacial forces are measured using atomic force microscopy (AFM) with a colloid-modified tip in a liquid cell using solutions of physiological pH and ionic strength. The chemical composition and uniformity of the coatings was characterised by X-ray Photon Spectroscopy (XPS). For a polymeric solid coating, repulsive forces have been measured against a silica colloid probe, and the dominant surface force is electrostatic. For the highly hydrated, 'soft' PEO and polysaccharide coatings, on the other hand, steric/entropic forces are also significant and contribute to interfacial interactions with proteins and lipids. In one system we have observed a time dependence of the electrostatic surface potential, which affects interaction with charged proteins. Force measurements were

Polymeric compositions incorporating polyethylene glycol as a phase change material

Science.gov (United States)

Salyer, Ival O.; Griffen, Charles W.

1989-01-01

A polymeric composition comprising a polymeric material and polyethylene glycol or end-capped polyethylene glycol as a phase change material, said polyethylene glycol and said end-capped polyethylene glycol having a molecular weight greater than about 400 and a heat of fusion greater than about 30 cal/g; the composition is useful in making molded and/or coated materials such as flooring, tiles, wall panels and the like; paints containing polyethylene glycols or end-capped polyethylene glycols are also disclosed.

Preparation of molecularly imprinted nanoparticles with superparamagnetic susceptibility through atom transfer radical emulsion polymerization for the selective recognition of tetracycline from aqueous medium

Energy Technology Data Exchange (ETDEWEB)

Dai, Jiangdong; Pan, Jianming; Xu, Longcheng; Li, Xiuxiu [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Zhou, Zhiping [School of Material Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Zhang, Rongxian [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Yan, Yongsheng, E-mail: djdxxx123@163.com [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing, 100191 (China)

2012-02-29

Highlights: Black-Right-Pointing-Pointer Atom transfer radical emulsion polymerization is a 'living' and green technique. Black-Right-Pointing-Pointer Nanoparticles can overcome mass transfer limitations and improve accessibility. Black-Right-Pointing-Pointer Molecular imprinted nanoparticles with magnetic property for fast separation. Black-Right-Pointing-Pointer The performance of imprinted nanoparticles was investigated in detail. Black-Right-Pointing-Pointer Nanoparticles were used to selective recognize Tetracycline from water medium. - Abstract: In the work, we reported an effective method for the preparation of molecularly imprinted nanoparticles with superparamagnetic susceptibility through atom transfer radical emulsion polymerization (ATREP), and then as-prepared magnetic molecularly imprinted nanoparticles (MMINs) were evaluated as adsorbents for selective recognition of tetracycline (TC) molecules from aqueous medium. The resulting nanoparticles were characterized by FT-IR, TGA, VSM, SEM and TEM. The results demonstrated MMINs with a narrow diameter distribution were cross-linked with modified Fe{sub 3}O{sub 4} particles, composed of imprinted layer and exhibited good magnetic sensitivity, magnetic and thermal stability. Batch rebinding studies were carried out to determine the specific adsorption equilibrium, kinetics, and selective recognition. The estimated adsorption capacity of MMINs towards TC by the Langmuir isotherm model was 12.10 mg g{sup -1} at 298 K, which was 6.33 times higher than that of magnetic non-molecularly imprinted nanoparticles (MNINs). The kinetic property of MMINs was well-described by the pseudo-second-order rate equation. The results of selective recognition experiments demonstrated outstanding affinity and selectivity towards TC over competitive antibiotics. The reusability of MMINs showed no obviously deterioration at least five repeated cycles in performance. In addition, the MMINs prepared were successfully

2-Methyl-2,4-pentanediol (MPD boosts as detergent-substitute the performance of ß-barrel hybrid catalyst for phenylacetylene polymerization

Directory of Open Access Journals (Sweden)

Julia Kinzel

2017-07-01

Full Text Available Covering hydrophobic regions with stabilization agents to solubilize purified transmembrane proteins is crucial for their application in aqueous media. The small molecule 2-methyl-2,4-pentanediol (MPD was used to stabilize the transmembrane protein Ferric hydroxamate uptake protein component A (FhuA utilized as host for the construction of a rhodium-based biohybrid catalyst. Unlike commonly used detergents such as sodium dodecyl sulfate or polyethylene polyethyleneglycol, MPD does not form micelles in solution. Molecular dynamics simulations revealed the effect and position of stabilizing MPD molecules. The advantage of the amphiphilic MPD over micelle-forming detergents is demonstrated in the polymerization of phenylacetylene, showing a ten-fold increase in yield and increased molecular weights.

SU-E-T-44: A Micro-Raman Spectroscopy Study of the Dose-Dependence of EBT3 GafChromicTM Films for Quantifying the Degree of Molecular Polymerization

Energy Technology Data Exchange (ETDEWEB)

Callens, M; Van Den Abeele, K [Department of Physics, Wave Propagation and Signal Processing, KU Leuven KULAK, Kortrijk (Belgium); Crijns, W; Depuydt, T; Maes, F; Haustermans, K [Department of Radiation Oncology, KU Leuven, Leuven (Belgium); Simons, V [IMEC, Leuven (Belgium); De Wolf, I [IMEC, Leuven (Belgium); Department of Materials Engineering, KU Leuven, Leuven (Belgium); D’hooge, J [Department of Cardiovascular Sciences, Bio-Medical Science Group, KU Leuven, Leuven (Belgium); D’Agostino, E [DoseVue NV, Hasselt (Belgium); Pfeiffer, H [Department of Materials Engineering, KU Leuven, Leuven (Belgium)

2015-06-15

Purpose: Radiochromic films, such as the poly-diacetylene-based EBT3 GafChromic{sup TM} films (Ashland Specialty Ingredients, Wayne, NY, USA), are widely used for dosimetry applications because of their clear energy independence, high spatial resolution, near tissue equivalence and easy handling. The films undergo a slight color change by radiation-induced polymerization of diacetylene monomers. But more importantly, the film becomes optically less transparent with increasing radiation dose, with a saturation starting between 10 and 20 Gy, i.e. a common SBRT dose level. In contrast to the chromatic properties, less attention has been given to the underlying molecular mechanism that induces this partial color change and strongly reduces the transparency. Therefore, the current work investigates the variation of the molecular composition of the active layer of EBT3 films for an SBRT dose range. Method: Uncoated EBT3 films were irradiated with a 6 MV photon beam using dose levels between 0 and 20 Gy. The relative variation of the polymer content as a function of the applied radiation dose was studied using micro-Raman spectroscopy. Raman spectroscopy with a 633 nm probe laser incident on the active layer allowed to identify the film constituents and to estimate the amount of poly-diacetylenes from the intensities of the unique molecular vibrations of the molecule. Results: The normalized intensity of all polymeric vibrations, and most notably the polymeric triple and double carbon-carbon bonds at 2058 cm{sup −1} and 1446 cm{sup −1} respectively, increase with increasing dose up to a saturation level starting at about 10 Gy, indicating a corresponding increase and saturation of the amount of polymers. This molecular saturation process is the main cause of the non-linear dose response (i.e. a transparency reduction) and of the limited dose range of the studied films. Conclusion: Raman spectroscopy provides new and more fundamental insights in the mechanism of the

The quadratic-form identity for constructing Hamiltonian structures of the NLS-MKdV hierarchy and multi-component Levi hierarchy

International Nuclear Information System (INIS)

Dong Huanhe; Wang Xiangrong

2008-01-01

The trace identity is extended to the quadratic-form identity. The Hamiltonian structures of the NLS-MKdV hierarchy, and integrable coupling of multi-component Levi hierarchy are obtained by the quadratic-form identity. The method can be used to produce the Hamiltonian structures of the other integrable couplings or multi-component hierarchies

Polymeric membrane studied using slow positron beam

International Nuclear Information System (INIS)

Hung, W.-S.; Lo, C.-H.; Cheng, M.-L.; Chen Hongmin; Liu Guang; Chakka, Lakshmi; Nanda, D.; Tung, K.-L.; Huang, S.-H.; Lee, Kueir-Rarn; Lai, J.-Y.; Sun Yiming; Yu Changcheng; Zhang Renwu; Jean, Y.C.

2008-01-01

A radioisotope slow positron beam has been built at the Chung Yuan Christian University in Taiwan for the research and development in membrane science and technology. Doppler broadening energy spectra and positron annihilation lifetime have been measured as a function of positron energy up to 30 keV in a polyamide membrane prepared by the interfacial polymerization between triethylenetetraamine (TETA) and trimesoyl chloride (TMC) on modified porous polyacrylonitrile (PAN) asymmetric membrane. The multilayer structures and free-volume depth profile for this asymmetric membrane system are obtained. Positron annihilation spectroscopy coupled with a slow beam could provide new information about size selectivity of transporting molecules and guidance for molecular designs in polymeric membranes

Polyisoprene Nanoparticles Prepared by Polymerization in Microemulsion

Directory of Open Access Journals (Sweden)

Y. Apolinar

2010-01-01

Full Text Available Batch polymerization of isoprene was carried out at 25∘C in a normal microemulsion stabilized with sodium dodecyl sulfate and initiated with the redox couple tert-butyl hydroperoxide/tetraethylene-pentamine. Characterization by transmission electronic microscopy showed that polyisoprene nanoparticles with number-average diameter close to 20 nm were obtained. The low molecular weights obtained, as determined by gel permeation chromatography, were probably due to chain scission as inferred from the oxidative ambient at which polymerization was carried out. Microstructure calculated from infrared spectroscopy data indicates that the obtained polyisoprene contains around 80% total 1,4 units, which is in accordance with its glass transition temperature (-60.8∘C determined by differential scanning calorimetry.

Thermoresponsive Poly(2-Oxazoline) Molecular Brushes by Living Ionic Polymerization: Modulation of the Cloud Point by Random and Block Copolymer Pendant Chains

KAUST Repository

Zhang, Ning

2012-08-10

Molecular brushes (MBs) of poly(2-oxazoline)s were prepared by living anionic polymerization of 2-isopropenyl-2-oxazoline to form the backbone and living cationic ring-opening polymerization of 2-n-propyl-2-oxazoline and 2-methyl-2-oxazoline to form random and block copolymers. Their aqueous solutions displayed a distinct thermoresponsive behavior as a function of the side-chain composition and sequence. The cloud point (CP) of MBs with random copolymer side chains is a linear function of the hydrophilic monomer content and can be modulated in a wide range. For MBs with block copolymer side chains, it was found that the block sequence had a strong and surprising effect on the CP. While MBs with a distal hydrophobic block had a CP at 70 °C, MBs with hydrophilic outer blocks already precipitated at 32 °C. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simulation of styrene polymerization reactors: kinetic and thermodynamic modeling

Directory of Open Access Journals (Sweden)

A. S. Almeida

2008-06-01

Full Text Available A mathematical model for the free radical polymerization of styrene is developed to predict the steady-state and dynamic behavior of a continuous process. Special emphasis is given for the kinetic and thermodynamic models, where the most sensitive parameters were estimated using data from an industrial plant. The thermodynamic model is based on a cubic equation of state and a mixing rule applied to the low-pressure vapor-liquid equilibrium of polymeric solutions, suitable for modeling the auto-refrigerated polymerization reactors, which use the vaporization rate to remove the reaction heat from the exothermic reactions. The simulation results show the high predictive capability of the proposed model when compared with plant data for conversion, average molecular weights, polydispersity, melt flow index, and thermal properties for different polymer grades.

Correlation between native bonds in a polymeric material and molecular emissions from the laser-induced plasma observed with space and time resolved imaging

Energy Technology Data Exchange (ETDEWEB)

Gregoire, S. [CRITT Materiaux Alsace, 19 rue de St Junien, 67300 Schiltigheim (France); Laboratoire de Recherche des Monuments Historiques, 29 rue de Paris, 77420 Champs-sur-Marne (France); Institut Charles Sadron, CNRS and University of Strasbourg, 23 rue de Loess, 67034 Strasbourg Cedex (France); Motto-Ros, V.; Ma, Q.L.; Lei, W.Q.; Wang, X.C. [Universite de Lyon, F-69622, Lyon, France, Universite Lyon 1, Villeurbanne, CNRS, UMR5579, LASIM (France); Pelascini, F.; Surma, F. [CRITT Materiaux Alsace, 19 rue de St Junien, 67300 Schiltigheim (France); Detalle, V., E-mail: vincent.detalle@culture.gouv.fr [Laboratoire de Recherche des Monuments Historiques, 29 rue de Paris, 77420 Champs-sur-Marne (France); Yu, J. [Universite de Lyon, F-69622, Lyon, France, Universite Lyon 1, Villeurbanne, CNRS, UMR5579, LASIM (France)

2012-08-15

Emissions from C{sub 2} molecules and CN radicals in laser-induced plasmas on polymeric materials were observed with time-resolved spectroscopic imaging. More precisely, differential imaging with a pair of narrowband filters (one centered on the emission line and another out of the line) was used to extract emission images of interested molecules or radicals. The correlation between the molecular emission image of the plasma and the molecular structure of the polymer to be analyzed was studied for four different types of materials: polyamide (PA) with native CN bonds, polyethylene (PE) with simple CC bonds, polystyrene (PS) with delocalized double CC bonds, and polyoxymethylene (POM) which neither contains CC nor CN bonds. A clear correlation is demonstrated between emission and molecular structure of the material, allowing the identification of several organic compounds by differential spectroscopic imaging. - Highlights: Black-Right-Pointing-Pointer Plasma imaging method to discriminate different type of polymers. Black-Right-Pointing-Pointer Molecular emissions (CN and C{sub 2}) are spatially and temporally correlated to native bonds. Black-Right-Pointing-Pointer Several formation processes of molecular fragments are observed.

THE KINETICS OF METHYL METHACRYLATE POLYMERIZATION INITIATED BY THE VOLATILE PRODUCTS OF A METHYL METHACRYLATE PLASMA

Institute of Scientific and Technical Information of China (English)

杨梅林; 马於光; 郑莹光; 沈家骢

1990-01-01

It is found that the volatile products of methyl methacrylate plasma can very actively initiate the polymerization of the monomer to produce ultrahigh molecular weight polymers. This polymerization of MMA occurs by a livlng free radical mechanism with instantaneous initiation and monomer transfer.

Two hierarchies of multi-component Kaup-Newell equations and theirs integrable couplings

International Nuclear Information System (INIS)

Zhu Fubo; Ji Jie; Zhang Jianbin

2008-01-01

Two hierarchies of multi-component Kaup-Newell equations are derived from an arbitrary order matrix spectral problem, including positive non-isospectral Kaup-Newell hierarchy and negative non-isospectral Kaup-Newell hierarchy. Moreover, new integrable couplings of the resulting Kaup-Newell soliton hierarchies are constructed by enlarging the associated matrix spectral problem

Effect of SUS316L stainless steel surface conditions on the wetting of molten multi-component oxides ceramic

Energy Technology Data Exchange (ETDEWEB)

Wang, Jin, E-mail: wangjinustb@gmail.com [Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Fukuoka, 808-0196 (Japan); Matsuda, Nozomu [Bar and Wire Product Unit, Nippon steel and Sumitomo Metal Corporation, Fukuoka, 802-8686 (Japan); Shinozaki, Nobuya [Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Fukuoka, 808-0196 (Japan); Miyoshi, Noriko [The Center for Instrumental Analysis, Kyushu Institute of Technology, Fukuoka, 804-8550 (Japan); Shiraishi, Takanobu [Graduate School of Biomedical Sciences, Nagasaki University, Nagasaki, 852-8588 (Japan)

2015-02-01

Highlights: • Multi-component oxides had a good wetting on stainless substrates with pretreatments. • Various substrates surface roughness caused the difference of final contact angles. • The wetting rate was slow on polished substrate due to the slow surface oxidation. - Abstract: A study on the effect of SUS316L stainless steel surface conditions on the wetting behavior of molten multi-component oxides ceramic was performed and aimed to contribute to the further understanding of the application of oxides ceramic in penetration treatment of stainless steel coatings and the deposition of stainless steel cermet coatings. The results show that at 1273 K, different surface pre-treatments (polishing and heating) had an important effect on the wetting behavior. The molten multi-component oxides showed good wettability on both stainless steel substrates, however, the wetting process on the polished substrate was significantly slower than that on the heated substrates. The mechanism of the interfacial reactions was discussed based on the microscopic and thermodynamic analysis, the substrates reacted with oxygen generated from the decomposition of the molten multi-component oxides and oxygen contained in the argon atmosphere, and the oxide film caused the molten multi-component oxides ceramic to spread on the substrates surfaces. For the polished substrate, more time was required for the surface oxidation to reach the surface composition of Heated-S, which resulted in relatively slow spreading and wetting rates. Moreover, the variance of the surface roughness drove the final contact angles to slightly different values following the sequence Polished-S > Heated-S.

Research on The Construction of Flexible Multi-body Dynamics Model based on Virtual Components

Science.gov (United States)

Dong, Z. H.; Ye, X.; Yang, F.

2018-05-01

Focus on the harsh operation condition of space manipulator, which cannot afford relative large collision momentum, this paper proposes a new concept and technology, called soft-contact technology. In order to solve the problem of collision dynamics of flexible multi-body system caused by this technology, this paper also proposes the concepts of virtual components and virtual hinges, and constructs flexible dynamic model based on virtual components, and also studies on its solutions. On this basis, this paper uses NX to carry out model and comparison simulation for space manipulator in 3 different modes. The results show that using the model of multi-rigid body + flexible body hinge + controllable damping can make effective control on amplitude for the force and torque caused by target satellite collision.

STUDIES ON RADICAL POLYMERIZATION OF METHYL METHACRYLATE INITIATED WITH ORGANIC PEROXIDE-AMINE SYSTEMS

Institute of Scientific and Technical Information of China (English)

QIU Kunyuan; SHUI Li; FENG Xinde

1984-01-01

Radical polymerization of methyl methacrylate (MMA) initiated with various diacyl peroxideamine systems was studied. Benzoyl peroxide (BPO) and lauroyl peroxide (LPO) were used as diacyl peroxide component, N,N-dimethyl aniline (DMA) and its para substituted derivatives, i.e., N,N-dimethyl-p-toluidine (DMT), p-hydroxymethyl-N,N-dimethyl aniline (HDMA), p-nitro-N,N-dimethyl aniline (NDMA) and p-dimethylamino benzaldehyde (DMAB) were used as amine components. It was found that the peroxide-DMT systems give higher rates of bulk polymerization Rp of MMA than the organic hydroperoxide-DMT systems with the following descending order BPO-DMT＞LPO-DMT＞CHP (cumene hydroperoxide)-DMT＞TBH (tert-butyl hydroperoxide)-DMT.The aromatic tertiary amines possess obvious structural effect on the Rp values in the diacyl peroxideamine system. The overall activation energy of MMA polymerization was determined and the kinetics of polymerization of MMA initiated with BPO-DMT system was investigated.

High Performance Multi-GPU SpMV for Multi-component PDE-Based Applications

KAUST Repository

Abdelfattah, Ahmad

2015-07-25

Leveraging optimization techniques (e.g., register blocking and double buffering) introduced in the context of KBLAS, a Level 2 BLAS high performance library on GPUs, the authors implement dense matrix-vector multiplications within a sparse-block structure. While these optimizations are important for high performance dense kernel executions, they are even more critical when dealing with sparse linear algebra operations. The most time-consuming phase of many multicomponent applications, such as models of reacting flows or petroleum reservoirs, is the solution at each implicit time step of large, sparse spatially structured or unstructured linear systems. The standard method is a preconditioned Krylov solver. The Sparse Matrix-Vector multiplication (SpMV) is, in turn, one of the most time-consuming operations in such solvers. Because there is no data reuse of the elements of the matrix within a single SpMV, kernel performance is limited by the speed at which data can be transferred from memory to registers, making the bus bandwidth the major bottleneck. On the other hand, in case of a multi-species model, the resulting Jacobian has a dense block structure. For contemporary petroleum reservoir simulations, the block size typically ranges from three to a few dozen among different models, and still larger blocks are relevant within adaptively model-refined regions of the domain, though generally the size of the blocks, related to the number of conserved species, is constant over large regions within a given model. This structure can be exploited beyond the convenience of a block compressed row data format, because it offers opportunities to hide the data motion with useful computations. The new SpMV kernel outperforms existing state-of-the-art implementations on single and multi-GPUs using matrices with dense block structure representative of porous media applications with both structured and unstructured multi-component grids.

Biosorption of Metals from Multi-Component Bacterial Solutions

CERN Document Server

Tsertsvadze, L A; Petriashvili, Sh G; Chutkerashvili, D G; Kirkesali, E I; Frontasyeva, M V; Pavlov, S S; Gundorina, S F

2002-01-01

The method of extraction of metals from industrial solutions by means of economical and easy to apply biosorbents in subtropics such as products of tea manufacturing, moss, microorganisms is described. The multi-component solutions obtained in the process of leaching of ores, rocks and industrial wastes by peat suspension were used in the experiments. The element composition of sorbent biomass and solutions was investigated by epithermal neutron activation analysis and by atomic absorption spectrometry. The results obtained evidence that the used biosorbents are applicable for extraction of the whole set of heavy metals and actinides (U, Th, Cu, Mn, Fe, Pb, Li, Rb, Sr, Cd, As, Co and others) from industrial solutions.

Bioactive Polymeric Materials for Tissue Repair

Directory of Open Access Journals (Sweden)

Diane R. Bienek

2017-01-01

Full Text Available Bioactive polymeric materials based on calcium phosphates have tremendous appeal for hard tissue repair because of their well-documented biocompatibility. Amorphous calcium phosphate (ACP-based ones additionally protect against unwanted demineralization and actively support regeneration of hard tissue minerals. Our group has been investigating the structure/composition/property relationships of ACP polymeric composites for the last two decades. Here, we present ACP’s dispersion in a polymer matrix and the fine-tuning of the resin affects the physicochemical, mechanical, and biological properties of ACP polymeric composites. These studies illustrate how the filler/resin interface and monomer/polymer molecular structure affect the material’s critical properties, such as ion release and mechanical strength. We also present evidence of the remineralization efficacy of ACP composites when exposed to accelerated acidic challenges representative of oral environment conditions. The utility of ACP has recently been extended to include airbrushing as a platform technology for fabrication of nanofiber scaffolds. These studies, focused on assessing the feasibility of incorporating ACP into various polymer fibers, also included the release kinetics of bioactive calcium and phosphate ions from nanofibers and evaluate the biorelevance of the polymeric ACP fiber networks. We also discuss the potential for future integration of the existing ACP scaffolds into therapeutic delivery systems used in the precision medicine field.

Irradiation-induced segregation in multi-component alloys

International Nuclear Information System (INIS)

Chen, I.W.

1983-01-01

A unified analysis of irradiation-induced segregation in multi-component alloys is developed using the formulation of irreversible thermodynamics. Three distinct mechanisms for segregation, namely the inverse Kirkendall effect, the vacancy-wind effect, and the solute drag of interstitials, are identified. In particular, the inverse Kirkendall effect due to interstitials arises only if a solute-interstitial interaction or a mutual conversion among interstitials via lattice atom intermediaries operates simultaneously. In the limit of fast conversion a para-equilibrium state may be reached between interstitials and lattice atoms, and the interstitial mechanism becomes formally analogous to the vacancy mechanism. Although the past treatment of rate phenomena in this field was apparently limited to the latter case, the importance of the consideration of separate chemical potentials for interstitials of different species, in segregation and other irradiation effects, is emphasized. (orig.)

Concentrated emulsion pathway to novel composite polymeric membranes and their use in pervaporation

Energy Technology Data Exchange (ETDEWEB)

Ruckenstein, E.; Sun, F. [State Univ. of New York, Buffalo, NY (United States). Dept. of Chemical Engineering

1995-10-01

Pervaporation is becoming recognized as an energy-efficient alternative to distillation and other separation methods of liquid mixtures, especially in cases in which the traditional separation techniques are not efficient, such as the separation of azeotropic mixtures, close-boiling-point components, isomeric components, and recovery or removal of trace organic substances from aqueous solutions. Novel composite polymeric membranes have been prepared, using concentrated emulsions as precursors, and employed in the pervaporation of various liquid mixtures. In order to improve the stability of the concentrated emulsion, the hydrophilicity and/or the hydrophobicity of the phases involved must be increased by replacing them with their solutions in water and/or in a hydrocarbon, respectively. Another possibility of improving the stability is to increase the viscosity of the phases, by partial polymerization of one or both phases before preparing the concentrated emulsion. The emulsion gel was subsequently transformed into a polymer composite by polymerizing both phases. The dispersed phase should be selected to yield a hydrophobic (hydrophilic) polymer which is compatible with the components selected for separation and incompatible with the other components, while the continuous phase should be selected to yield a hydrophilic (hydrophobic) polymer which is incompatible with all of the components of the mixture, and thus it can ensure the integrity of the membrane. As examples, several composite polymeric membranes were designed, prepared, and employed in the separation by pervaporation of water-ethanol,aromatics-paraffinics, and aromatics-alcohol mixtures.

Polymeric proanthocyanidins from Sicilian pistachio (Pistacia vera L.) nut extract inhibit lipopolysaccharide-induced inflammatory response in RAW 264.7 cells.

Science.gov (United States)

Gentile, C; Allegra, M; Angileri, F; Pintaudi, A M; Livrea, M A; Tesoriere, L

2012-04-01

Positive effects of pistachio nut consumption on plasma inflammatory biomarkers have been described; however, little is known about molecular events associated with these effects. We studied the anti-inflammatory activity of a hydrophilic extract from Sicilian Pistacia L. (HPE) in a macrophage model and investigated bioactive components relevant to the observed effects. HPE oligomer/polymer proanthocyanidin fractions were isolated by adsorbance chromatography, and components quantified as anthocyanidins after acidic hydrolysis. Isoflavones were measured by gradient elution HPLC analysis. RAW 264.7 murine macrophages were pre-incubated with either HPE (1- to 20-mg fresh nut equivalents) or its isolated components for 1 h, then washed before stimulating with lipopolysaccharide (LPS) for 24 h. Cell viability and parameters associated with Nuclear Factor-κB (NF-κB) activation were assayed according to established methods including ELISA, Western blot, or cytofluorimetric analysis. HPE suppressed nitric oxide (NO) and tumor necrosis factor-α (TNF-α) production and inducible NO-synthase levels dose dependently, whereas inhibited prostaglandin E2 (PGE2) release and decreased cyclo-oxygenase-2 content, the lower the HPE amount the higher the effect. Cytotoxic effects were not observed. HPE also caused a dose-dependent decrease in intracellular reactive oxygen species and interfered with the NF-κB activation. Polymeric proanthocyanidins, but not isoflavones, at a concentration comparable with their content in HPE, inhibited NO, PGE2, and TNF-α formation, as well as activation of IκB-α. Oligomeric proanthocyanidins showed only minor effects. Our results provide molecular evidence of anti-inflammatory activity of pistachio nut and indicate polymeric proanthocyanidins as the bioactive components. The mechanism may involve the redox-sensitive transcription factor NF-κB. Potential effects associated with pistachio nut consumption are discussed in terms of the

On the synthesis of peptide imprinted polymers by a combined suspension-Epitope polymerization method

International Nuclear Information System (INIS)

Kotrotsiou, O.; Chaitidou, S.; Kiparissides, C.

2009-01-01

In the past, molecularly imprinted polymers (MIPs), prepared by free-radical bulk polymerization, have been used for the selective recognition of small biomolecules (i.e., amino acids and amino acid derivatives). Presently, there is a need for the synthesis of MIPs capable of recognizing larger biomolecules (i.e., peptides and proteins). Moreover, it is highly desirable the production of MIP microparticles with well-defined morphological characteristics (e.g., particle size distribution, porosity, etc.) via particulate polymerization techniques. In the present study, the synthesis of molecularly imprinted microparticles, produced via the suspension and inverse suspension polymerization methods, using the 'epitope approach', is reported. The hydrophobic (i.e., Boc-Trp-Trp-Trp) or hydrophilic (i.e., His-Phe) oligo-peptides were employed as template molecules. The potential of the combined suspension polymerization method with the 'epitope approach' for the production of MIP microparticles is demonstrated, as well as the specificity and selectivity characteristics of the MIP microparticles towards hydrophobic and hydrophilic oligo-peptides. The proposed method appears to be a very promising and efficient technique for separation of proteins.

On the optimity of separation cascade for a binary and a multi-component case

International Nuclear Information System (INIS)

Song, T.M.; Zeng, S.

2006-01-01

The optimity discussed in this article means minimum total interstage flow which is studied for two cases, a binary and a multi-component case, using direct numerical optimizations for countercurrent symmetric cascades with the concentrations of the target component specified in the .feed flow, the product and waste withdrawals In binary separation, the ideal cascade in which there are no mixing losses and whose stages are working under symmetric separation is the optimum cascade that has the minimum total flow However when the separation factor is large, there may not exist an ideal cascade for certain prescribed external parameters. Cascades are optimized numerically to minimize mixing losses and total flows, respectively The results are compared for the minimum mixing losses and the minimum total flow, and analyzed with theoretically derived formulas. For the multi-component case, satisfying the non-mixing condition is impossible. There is a counterpart of the binary ideal cascade named MARC which matches the abundance ratio at mixing points. An optimization example for a four-cornponent mixture separation cascade is analyzed with the first and the last components as the targets, respectively. The results show that MARC is not the optimum cascade for the separation of one certain isotope. The separation power of each stage in the optimized cascades is calculated using several different definitions, and the rationality of these definitions is discussed. The Q-iteration method is used to calculate the concentration distribution in both the binary and the multi-component cases. Ns-2 stage cuts out of the Ns stages of the cascade are the optimization variables in the optimization process and a combination of the simulated annealing and the Hooke-Jeeves method is applied as the optimization technique to find the minimum. (authors)

Fiscal 2000 report on result of R and D project for industrial science and technology in cooperation with universities, and R and D of platform for designing high functional material; 2000 nendo kokino zairyo seikkei platform no kenkyu kaihatsu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1991-03-01

R and D was conducted concerning sophistication and high speeding in designing materials by simulation technology utilizing a new calculation method, with fiscal 2000 results compiled. In each working group, research was carried out respectively on coarse-grained molecular dynamics, dynamic average domain method, dispersed structure simulation, verification study, and platforms. Also, Tokyo University, Graduate School of Frontier Sciences, examined structures and physical properties of polymeric materials at nano-scale, making comparisons with expected values by simulation. Tokyo University, Institute of Industrial Science conducted an experimental research in order to elucidate the whole picture of viscoelastic phase separation in a polymeric solution system at quantitative level. Tokyo Institute of Technology, Graduate School, made a comparison between a simulation and an experiment concerning polymer micelles by molecular association and polymerization-induced phase separation. Meantime, Kyoto University, Graduate School, carried out research on dynamics of complex phase transition of multi-component polymer mixtures and its self-assembling processes. (NEDO)

Polymethylene-based copolymers by polyhomologation or by its combination with controlled/living and living polymerizations

KAUST Repository

Zhang, Hefeng

2014-01-20

Polyhomologation, recently developed by Shea, is a borane-initiated living polymerization of ylides leading to linear polymethylenes (C1 polymerization) with controlled molecular weight, low polydispersity, and well-defined structures. In this Review, the copolyhomologation of different ylides as well as the combination of polyhomologation with controlled/living (nitroxide-mediated, atom transfer radical, reversible addition-fragmentation chain-transfer) and living (ring opening, anionic) polymerizations is discussed. Polyhomologation of ylides, in combination with living and controlled/living polymerizations, leads to a plethora novel well-defined polymethylene (polyethylene)-based polymeric materials, which are very important for understanding/improving the behavior of industrial polyethylenes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Combining Pickering Emulsion Polymerization with Molecular Imprinting to Prepare Polymer Microspheres for Selective Solid-Phase Extraction of Malachite Green

Directory of Open Access Journals (Sweden)

Weixin Liang

2017-08-01

Full Text Available Malachite green (MG is currently posing a carcinogenic threat to the safety of human lives; therefore, it is highly desirable to develop an effective method for fast trace detection of MG. Herein, for the first time, this paper presents a systematic study on polymer microspheres, being prepared by combined Pickering emulsion polymerization and molecular imprinting, to detect and purify MG. The microspheres, molecularly imprinted with MG, show enhanced adsorption selectivity to MG, despite a somewhat lowered adsorption capacity, as compared to the counterpart without molecular imprinting. Structural features and adsorption performance of these microspheres are elucidated by different characterizations and kinetic and thermodynamic analyses. The surface of the molecularly imprinted polymer microspheres (M-PMs exhibits regular pores of uniform pore size distribution, endowing M-PMs with impressive adsorption selectivity to MG. In contrast, the microspheres without molecular imprinting show a larger average particle diameter and an uneven porous surface (with roughness and a large pore size, causing a lower adsorption selectivity to MG despite a higher adsorption capacity. Various adsorption conditions are investigated, such as pH and initial concentration of the solution with MG, for optimizing the adsorption performance of M-PMs in selectively tackling MG. The adsorption kinetics and thermodynamics are deeply discussed and analyzed, so as to provide a full picture of the adsorption behaviors of the polymer microspheres with and without the molecular imprinting. Significantly, M-PMs show promising solid-phase extraction column applications for recovering MG in a continuous extraction manner.

Fabrication of hybrid molecular devices using multi-layer graphene break junctions

Science.gov (United States)

Island, J. O.; Holovchenko, A.; Koole, M.; Alkemade, P. F. A.; Menelaou, M.; Aliaga-Alcalde, N.; Burzurí, E.; van der Zant, H. S. J.

2014-11-01

We report on the fabrication of hybrid molecular devices employing multi-layer graphene (MLG) flakes which are patterned with a constriction using a helium ion microscope or an oxygen plasma etch. The patterning step allows for the localization of a few-nanometer gap, created by electroburning, that can host single molecules or molecular ensembles. By controlling the width of the sculpted constriction, we regulate the critical power at which the electroburning process begins. We estimate the flake temperature given the critical power and find that at low powers it is possible to electroburn MLG with superconducting contacts in close proximity. Finally, we demonstrate the fabrication of hybrid devices with superconducting contacts and anthracene-functionalized copper curcuminoid molecules. This method is extendable to spintronic devices with ferromagnetic contacts and a first step towards molecular integrated circuits.

Controlled radical polymerization of acrylates by {gamma}-irradiation in the presence of 1,1-diphenylethene

Energy Technology Data Exchange (ETDEWEB)

Wu Zongtao [Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zhang Zhicheng [Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei, Anhui 230026 (China)]. E-mail: zczhang@ustc.edu.cn

2005-12-15

Poly (butyl acrylate) and poly (methyl acrylate) were successfully prepared in the presence of 1,1-diphenylethene (DPE) by {gamma}-irradiation-induced polymerization in both bulk and solution. The influences of polymerization time, amounts of DPE in system on conversion, molecular weight (MW) and its distribution (M{sub w}/M{sub n}) were studied. The results indicate that the polymerization initiated by {gamma}-irradiation in the presence of DPE shows the character of living radical reaction.

A Green Platform for Preparation of the Well-Defined Polyacrylonitrile: 60Co γ-ray Irradiation-Initiated RAFT Polymerization at Room Temperature

Directory of Open Access Journals (Sweden)

Shuangshuang Zhang

2017-01-01

Full Text Available 60Co γ-ray irradiation-initiated reversible addition–fragmentation chain transfer (RAFT polymerization at room temperature with 2-cyanoprop-2-yl 1-dithionaphthalate (CPDN as the chain transfer agent was first applied to acrylonitrile (AN polymerization, providing a “green” platform for preparing polyacrylonitrile (PAN-based carbon fibers using an environment-friendly energy source. Various effects of dose rate, molar ratio of the monomer to the chain transfer agent, monomer concentration and reaction time on the AN polymerization behaviors were performed to improve the controllability of molecular the weight and molecular weight distribution of the obtained PAN. The feature of the controlled polymerization was proven by the first-order kinetics, linear increase of the molecular weight with the monomer conversion and a successful chain-extension experiment. The molecular weight and molecular weight distribution of PAN were characterized by size exclusion chromatography (SEC. 1H NMR and Matrix assisted laser desorption ionization/time of flight mass spectra (MALDI-TOF-MS confirmed the chain-end functionality of PAN, which also was supported by the successful chain-extension experiments of original PANs with acrylonitrile and styrene as the second monomers respectively.

Expression-robust 3D face recognition via weighted sparse representation of multi-scale and multi-component local normal patterns

KAUST Repository

Li, Huibin

2014-06-01

In the theory of differential geometry, surface normal, as a first order surface differential quantity, determines the orientation of a surface at each point and contains informative local surface shape information. To fully exploit this kind of information for 3D face recognition (FR), this paper proposes a novel highly discriminative facial shape descriptor, namely multi-scale and multi-component local normal patterns (MSMC-LNP). Given a normalized facial range image, three components of normal vectors are first estimated, leading to three normal component images. Then, each normal component image is encoded locally to local normal patterns (LNP) on different scales. To utilize spatial information of facial shape, each normal component image is divided into several patches, and their LNP histograms are computed and concatenated according to the facial configuration. Finally, each original facial surface is represented by a set of LNP histograms including both global and local cues. Moreover, to make the proposed solution robust to the variations of facial expressions, we propose to learn the weight of each local patch on a given encoding scale and normal component image. Based on the learned weights and the weighted LNP histograms, we formulate a weighted sparse representation-based classifier (W-SRC). In contrast to the overwhelming majority of 3D FR approaches which were only benchmarked on the FRGC v2.0 database, we carried out extensive experiments on the FRGC v2.0, Bosphorus, BU-3DFE and 3D-TEC databases, thus including 3D face data captured in different scenarios through various sensors and depicting in particular different challenges with respect to facial expressions. The experimental results show that the proposed approach consistently achieves competitive rank-one recognition rates on these databases despite their heterogeneous nature, and thereby demonstrates its effectiveness and its generalizability. © 2014 Elsevier B.V.

Design of multi-tiered database application based on CORBA component in SDUV-FEL system

International Nuclear Information System (INIS)

Sun Xiaoying; Shen Liren; Dai Zhimin

2004-01-01

The drawback of usual two-tiered database architecture was analyzed and the Shanghai Deep Ultraviolet-Free Electron Laser database system under development was discussed. A project for realizing the multi-tiered database architecture based on common object request broker architecture (CORBA) component and middleware model constructed by C++ was presented. A magnet database was given to exhibit the design of the CORBA component. (authors)

The effect of multi-component adsorption on selectivity in ion exchange displacement systems.

Science.gov (United States)

Tugcu, N; Cramer, S M

2005-01-21

This paper examines chemically selective displacement chromatography using affinity ranking plots, batch displacer screening experiments, column displacements, multi-component adsorption isotherms and spectroscopy. The affinity ranking plot indicated that the displacers, sucrose octasulfate (SOS) and tatrazine, should possess sufficient affinity to displace the proteins amyloglucosidase and apoferritin over a wide range of operating conditions. In addition, the plots indicated that the separation of these proteins by displacement chromatography would be extremely difficult. Further, the two proteins were shown to have very similar retention times under shallow linear gradient conditions. When batch displacement experiments were carried out, both tartrazine and SOS exhibited significant selectivity differences with respect to their ability to displace these two proteins, in contrast to the affinity ranking plot results. Column displacement experiments carried out with sucrose octasulfate agreed with the predictions of the affinity ranking plots, with both proteins being displaced but poorly resolved under several column displacement conditions. On the other hand, column displacement with tartrazine as the displacer resulted in the selective displacement and partial purification of apoferritin. Single- and multi-component isotherms of the proteins with or without the presence of displacers were determined and were used to help explain the selectivity reversals observed in the column and batch displacement experiments. In addition, fluorescence and CD spectra suggested that the displacers did not induce any structural changes to either of the proteins. The results in this paper indicate that multi-component adsorption behavior can be exploited for creating chemically selective displacement separations.

Multi-component fiber track modelling of diffusion-weighted magnetic resonance imaging data

Directory of Open Access Journals (Sweden)

Yasser M. Kadah

2010-01-01

Full Text Available In conventional diffusion tensor imaging (DTI based on magnetic resonance data, each voxel is assumed to contain a single component having diffusion properties that can be fully represented by a single tensor. Even though this assumption can be valid in some cases, the general case involves the mixing of components, resulting in significant deviation from the single tensor model. Hence, a strategy that allows the decomposition of data based on a mixture model has the potential of enhancing the diagnostic value of DTI. This project aims to work towards the development and experimental verification of a robust method for solving the problem of multi-component modelling of diffusion tensor imaging data. The new method demonstrates significant error reduction from the single-component model while maintaining practicality for clinical applications, obtaining more accurate Fiber tracking results.

Silica-Polystyrene Nanocomposite Particles Synthesized by Nitroxide-Mediated Polymerization and Their Encapsulation through Miniemulsion Polymerization

Directory of Open Access Journals (Sweden)

Bérangère Bailly

2006-01-01

Full Text Available Polystyrene (PS chains with molecular weights comprised between 8000 and 64000 g⋅mol-1 and narrow polydispersities were grown from the surface of silica nanoparticles (Aerosil A200 fumed silica and Stöber silica, resp. through nitroxide-mediated polymerization (NMP. Alkoxyamine initiators based on N-tert-butyl-1-diethylphosphono-2,2-dimethylpropyl nitroxide (DEPN and carrying a terminal functional group have been synthesized in situ and grafted to the silica surface. The resulting grafted alkoxyamines have been employed to initiate the growth of polystyrene chains from the inorganic surface. The maximum grafting density of the surface-tethered PS chains was estimated and seemed to be limited by initiator confinement at the interface. Then, the PS-grafted Stöber silica nanoparticles were entrapped inside latex particles via miniemulsion polymerization. Transmission electron microscopy indicated the successful formation of silica-polystyrene core-shell particles.

Fractionation and characterization of saccharides and lignin components in wood prehydrolysis liquor from dissolving pulp production.

Science.gov (United States)

Wang, Zhaojiang; Wang, Xiaojun; Jiang, Jungang; Fu, Yingjuan; Qin, Menghua

2015-08-01

Saccharides and lignin components in prehydrolysis liquor (PHL) from kraft-based dissolving pulp production was characterized after being fractionated using membrane filtration. The results showed that the membrane filtration provided a method for organics fractionation with considerable recovery rate, but exhibited some disadvantages. Besides the limited ability in purifying oligosaccharides (OS) due to the overlaps of molecular weight distribution with lignin components, the membrane filtration could not improve the homogeneity of OS as indicated by the analysis of chemical compositions and the degree of polymerization (DP), which may be ascribed to the linear conformation of OS. The characterization of lignin components indicated a great potential for polymer industry because of the remarkable content of phenolic hydroxyl groups (PhOH), especially for low molecular weight (LMW) fraction. It was concluded the organics in PHL provided streams of value-added chemicals. However, the practical significance thereof can be realized and maximized only when they are successfully and completely fractionated. Copyright © 2015 Elsevier Ltd. All rights reserved.

Gauss Seidel-type methods for energy states of a multi-component Bose Einstein condensate

Science.gov (United States)

Chang, Shu-Ming; Lin, Wen-Wei; Shieh, Shih-Feng

2005-01-01

In this paper, we propose two iterative methods, a Jacobi-type iteration (JI) and a Gauss-Seidel-type iteration (GSI), for the computation of energy states of the time-independent vector Gross-Pitaevskii equation (VGPE) which describes a multi-component Bose-Einstein condensate (BEC). A discretization of the VGPE leads to a nonlinear algebraic eigenvalue problem (NAEP). We prove that the GSI method converges locally and linearly to a solution of the NAEP if and only if the associated minimized energy functional problem has a strictly local minimum. The GSI method can thus be used to compute ground states and positive bound states, as well as the corresponding energies of a multi-component BEC. Numerical experience shows that the GSI converges much faster than JI and converges globally within 10-20 steps.

Effect of homopolymer in polymerization-induced microphase separation process

Energy Technology Data Exchange (ETDEWEB)

Park, Jongmin; Saba, Stacey A.; Hillmyer, Marc A.; Kang, Dong-Chang; Seo, Myungeun (IBS-Korea); (KAIST); (UMMN)

2017-09-01

We report on the phase separation behaviors of polymerization mixtures containing a polylactide macro-chain transfer agent (PLA-CTA), styrene, divinylbenzene, hydroxyl-terminated PLA (PLA-OH), and a molecular chain transfer agent which enable the ability to tune the pore size of a cross-linked polymer monolith in a facile manner. Cross-linked monoliths were produced from the mixtures via reversible addition-fragmentation chain transfer (RAFT) polymerization and converted into cross-linked porous polymers by selective removal of PLA while retaining the parent morphology. We demonstrate that pore sizes are tunable over a wide range of length scales from the meso- to macroporous regimes by adjusting the ratio of PLA-CTA to PLA-OH in the reaction mixture which causes the phase separation mechanism to change from polymerization-induced microphase separation to polymerization-induced phase separation. The possibility of increasing porosity and inducing simultaneous micro- and macrophase separation was also realized by adjustments in the molar mass of PLA which enabled the synthesis of hierarchically meso- and macroporous polymers.

Graft polymerization of styrene onto starch by simultaneous cobalt-60 irradiation

International Nuclear Information System (INIS)

Fanta, G.F.; Burr, R.C.; Doane, W.M.; Russell, C.R.

1977-01-01

Starch-g-polystyrene copolymers have been prepared by the simultaneous 60 Co irradiation of starch--styrene mixtures, and copolymers have been characterized with respect to weight per cent polystyrene (% add-on) and also the molecular weight and molecular weight distribution of polystyrene grafts. In a typical polymerization, 4g each of starch and styrene were blended with 1 ml water and 1.5 ml of an organic solvent; the resulting semisolid paste was irradiated to a total dose of 1 Mrad. With ethylene glycol, acetonitrile, ethanol, methanol, acetone, and dimethylformamide as the organic solvent, values for % add-on ranged from 24% to 29%. The highest % add-on (43%) and the highest conversion of styrene to grafted polymer (76%) were obtained when the organic solvent was omitted, and water alone was used. When water was also omitted, polymerization of styrene was negligible; however, graft copolymer was formed in the absence of water when either ethylene glycol or ethanol was added. Attempts were unsuccessful to achieve a % add-on greater than 43% by doubling the amount of styrene in the polymerization recipe. Mixtures of equal weights of starch and styrene are relatively nonviscous, but these mixtures thicken when either water or ethylene glycol is blended in. Reasons for this thickening action and the possible influence of thickening on the graft polymerization reaction were explored

A Global Multi-Objective Optimization Tool for Design of Mechatronic Components using Generalized Differential Evolution

DEFF Research Database (Denmark)

Bech, Michael Møller; Nørgård, Christian; Roemer, Daniel Beck

2016-01-01

This paper illustrates how the relatively simple constrained multi-objective optimization algorithm Generalized Differential Evolution 3 (GDE3), can assist with the practical sizing of mechatronic components used in e.g. digital displacement fluid power machinery. The studied bi- and tri-objectiv......This paper illustrates how the relatively simple constrained multi-objective optimization algorithm Generalized Differential Evolution 3 (GDE3), can assist with the practical sizing of mechatronic components used in e.g. digital displacement fluid power machinery. The studied bi- and tri...... different optimization control parameter settings and it is concluded that GDE3 is a reliable optimization tool that can assist mechatronic engineers in the design and decision making process....

Analysis of the multi-component pseudo-pure-mode qP-wave inversion in vertical transverse isotropic (VTI) media

KAUST Repository

Djebbi, Ramzi; Alkhalifah, Tariq Ali

2014-01-01

Multi-parameter inversion in anisotropic media suffers from the inherent trade-off between the anisotropic parameters, even under the acoustic assumption. Multi-component data, often acquired nowadays in ocean bottom acquisition and land data

Polymeric molecular sieve membranes for gas separation

Science.gov (United States)

Dai, Sheng; Qiao, Zhenan; Chai, Songhai

2017-08-15

A porous polymer membrane useful in gas separation, the porous polymer membrane comprising a polymeric structure having crosslinked aromatic groups and a hierarchical porosity in which micropores having a pore size less than 2 nm are present at least in an outer layer of the porous polymer membrane, and macropores having a pore size of over 50 nm are present at least in an inner layer of the porous polymer membrane. Also described are methods for producing the porous polymer membrane in which a non-porous polymer membrane containing aromatic rings is subjected to a Friedel-Crafts crosslinking reaction in which a crosslinking molecule crosslinks the aromatic rings in the presence of a Friedel-Crafts catalyst and organic solvent under sufficiently elevated temperature, as well as methods for using the porous polymer membranes for gas or liquid separation, filtration, or purification.

Biodegradable Polyelectrolyte Obtained by Radiation Polymerization

International Nuclear Information System (INIS)

Craciun, G.; Martin, D.; Manaila, E.; Nemtanu, M.; Brasoveanu, M.; Ighigeanu, D.

2009-01-01

Poly electrolytes are water-soluble polymers carrying ionic charge along the polymer chain. Depending upon the charge, these polymers are anionic or cationic. The inherent solid - liquid separating efficiency makes these poly electrolytes a unique class of polymers which find extensive application in potable water, industrial raw and process water, municipal sewage treatment, mineral processing and metallurgy, oil drilling and recovery, etc. Also, due to their ability to produce advanced induced coagulation, a considerable amount of bacteria and viruses are precipitated together with the suspended solids. Especially the acrylamide polymers are very efficacious for water treatment but acrylamide is a toxic monomer and therefore their use are governed by international standards that provide the residual acrylamide monomer content (RAMC) in them be less than 0.05%. Under these circumstances our attention was focused on the following research steps that are presented in this paper: 1) Preparation of a special class of poly electrolytes, named Pn, with very low RAMC values, based on electron beam (EB), microwave (MW) and EB + MW induced co-polymerization of aqueous solutions containing appropriate mixtures of acrylamide (AMD) and acrylic acid (AA) monomers (AMD - AA co-polymers). The Pn were obtained by radiation technology with very small RAMC (under 0.01%) as well as in a wide range of molecular weights and charge densities. Very low AMD monomer content of Pn is due to the major advantages of radiation induced polymerization in aqueous solution containing monomers. Due to water presence in the EB irradiated system, irradiated water radicals facilitate the polymerization process and increase rate and level of monomers conversion in co-polymers. Also, once again, by the presence of water, which absorbs MW energy very strongly, the MW polymerization reaction rate is much enhanced resulting in a reaction time about 50-100 times lowers than by conventional heating. Also

Improving the distinguishable cluster results: spin-component scaling

Science.gov (United States)

Kats, Daniel

2018-06-01

The spin-component scaling is employed in the energy evaluation to improve the distinguishable cluster approach. SCS-DCSD reaction energies reproduce reference values with a root-mean-squared deviation well below 1 kcal/mol, the interaction energies are three to five times more accurate than DCSD, and molecular systems with a large amount of static electron correlation are still described reasonably well. SCS-DCSD represents a pragmatic approach to achieve chemical accuracy with a simple method without triples, which can also be applied to multi-configurational molecular systems.

Efficient and robust relaxation procedures for multi-component mixtures including phase transition

International Nuclear Information System (INIS)

Han, Ee; Hantke, Maren; Müller, Siegfried

2017-01-01

We consider a thermodynamic consistent multi-component model in multi-dimensions that is a generalization of the classical two-phase flow model of Baer and Nunziato. The exchange of mass, momentum and energy between the phases is described by additional source terms. Typically these terms are handled by relaxation procedures. Available relaxation procedures suffer from efficiency and robustness resulting in very costly computations that in general only allow for one-dimensional computations. Therefore we focus on the development of new efficient and robust numerical methods for relaxation processes. We derive exact procedures to determine mechanical and thermal equilibrium states. Further we introduce a novel iterative method to treat the mass transfer for a three component mixture. All new procedures can be extended to an arbitrary number of inert ideal gases. We prove existence, uniqueness and physical admissibility of the resulting states and convergence of our new procedures. Efficiency and robustness of the procedures are verified by means of numerical computations in one and two space dimensions. - Highlights: • We develop novel relaxation procedures for a generalized, thermodynamically consistent Baer–Nunziato type model. • Exact procedures for mechanical and thermal relaxation procedures avoid artificial parameters. • Existence, uniqueness and physical admissibility of the equilibrium states are proven for special mixtures. • A novel iterative method for mass transfer is introduced for a three component mixture providing a unique and admissible equilibrium state.

Investigation of multi-state charge-storage properties of redox-active organic molecules in silicon-molecular hybrid devices for DRAM and Flash applications

Science.gov (United States)

Gowda, Srivardhan Shivappa

studied as a function of tunnel oxide thickness, dielectric permittivity and energy barrier, and modified Butler-Volmer expressions were postulated to describe the redox kinetics. The speed vs. retention performance of the devices was improved via asymmetric layered tunnel barriers. The properties of molecules can be tailored by molecular design and synthetic chemistry. In this work, it was demonstrated that an alternate route to tune/enhance the properties of the hybrid device is to engineer the substrate (silicon) component. The molecules were attached to diode surfaces to tune redox voltages and improve charge-retention characteristics. N+ pockets embedded in P-Si well were utilized to obtain multiple states from a two-state molecule. The structure was also employed as a characterization tool in investigating the intrinsic properties of the molecules such as lateral conductivity within the monolayer. Redox molecules were also incorporated on an ultra thin gate-oxide of Si MOSFETs with the intent of studying the interaction of redox states with Si MOSFETs. The discrete molecular states were manifested in the drain current and threshold voltage characteristics of the device. This work demonstrates the multi-state modulation of Si-MOSFETs' drain current via redox-active molecular monolayers. Polymeric films of redox-active molecules were incorporated to improve the charge-density (ON/OFF ratio) and these structures may be employed for multi-state, low-voltage Flash memory applications. The most critical aspect of this research effort is to build a reliable and high density solid state memory technology. To this end, efforts were directed towards replacement of the electrolytic gate, which forms an extremely thin insulating double layer (˜10 nm) at the electrolyte-molecule interface, with a combination of an ultra-thin high-K dielectric layer and a metal gate. Several interesting observations were made in the research approaches towards integration and provided valuable

ANIONIC POLYMERIZATION OF ALKYL METHACRYLATES INITIATED BY nBuCu(NCy2)Li

Institute of Scientific and Technical Information of China (English)

Bing-yong Han; Jian-guo Liang; Jian-min Lu; Feng An; Wan-tai Yang

2009-01-01

Anionic polymerization of methyl methacrylate (MMA), n-butyl methacrylate (nBMA) and glycidyl methacrylate (GMA) initiated by nBuCu(NCy2)Li (1) in tetrahydrofuran (THF) at -50℃ to -10℃ was investigated. It was found that the polymerization of MMA and nBMA initiated by 1 proceeded quantitatively in THF to afford PMMA and PBMA with polydispersity index 1.15-1.30 and nearly 100% initiator efficiencies at -10℃. The molecular weights increased linearly with the ratio of [monomer]/[1]. However, a post-polymerization experiment carried out on this system revealed a double polymer peak by GPC when fresh monomer was added after an interval of 10 rain. Polymerization of styrene could be initiated by 1, but the initiator efficiency was low.

Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST

Science.gov (United States)

Zhu, You-Liang; Pan, Deng; Li, Zhan-Wei; Liu, Hong; Qian, Hu-Jun; Zhao, Yang; Lu, Zhong-Yuan; Sun, Zhao-Yan

2018-04-01

We describe the algorithm of employing multi-GPU power on the basis of Message Passing Interface (MPI) domain decomposition in a molecular dynamics code, GALAMOST, which is designed for the coarse-grained simulation of soft matters. The code of multi-GPU version is developed based on our previous single-GPU version. In multi-GPU runs, one GPU takes charge of one domain and runs single-GPU code path. The communication between neighbouring domains takes a similar algorithm of CPU-based code of LAMMPS, but is optimised specifically for GPUs. We employ a memory-saving design which can enlarge maximum system size at the same device condition. An optimisation algorithm is employed to prolong the update period of neighbour list. We demonstrate good performance of multi-GPU runs on the simulation of Lennard-Jones liquid, dissipative particle dynamics liquid, polymer and nanoparticle composite, and two-patch particles on workstation. A good scaling of many nodes on cluster for two-patch particles is presented.

Watching Mobility Engendered by Actin Polymerization

Science.gov (United States)

Jee, Ah-Young; Granick, Steve; Tlusty, Tsvi

We have been investigating hydrodynamic flows engendered in molecular systems by active motion. In fact, active directed motion is ubiquitous as a transport mechanism within cells and other systems, sometimes by the action of molecular motors as they move along cytoskeletal filaments, sometimes by the polymerization and depolymerization of filament themselves. To probe this situation, we have employed fluorescence correlation spectroscopy (FCS) in the STED mode (stimulation emission-depletion), this super-resolution approach allowing us to investigate molecular mobility as averaged over a spectrum of space scales: from areas of the optical diffraction limit or larger, to regions as small as 30 40 nm. This comparison of FCS-STED measurements when the projected area investigated varies by a factor of >10, reveals remarkable scale dependence of the mobility that we infer.

Scaling Properties of Spectra in New Exact Solutions of Rotating, Multi-Component Fireball Hydrodynamics

Directory of Open Access Journals (Sweden)

Tamás Csörgő

2018-03-01

Full Text Available We describe fireballs that rehadronize from a perfect fluid of quark matter, characterized by the lattice QCD equation of state, to a chemically frozen, multi-component mixture, that contains various kinds of observable hadrons. For simplicity and clarity, we apply a non-relativistic approximation to describe the kinematics of this expansion. Unexpectedly, we identify a secondary explosion that may characterize fireball hydrodynamics at the QCD critical point. After rehadronization, the multi-component mixture of hadrons keeps on rotating and expanding together, similarly to a single component fluid. After kinetic freeze-out, the effective temperature T i of the single-particle spectra of hadron type h i is found to be a sum of the kinetic freeze-out temperature T f (that is independent of the hadron type h i and a term proportional to the mass m i of hadron type h i . The coefficient of proportionality to m i is found to be independent of the hadron type h i but to be dependent on the radial flow and vorticity of collective dynamics.

Monodisperse, molecularly imprinted polymers for creatinine by modified precipitation polymerization and their applications to creatinine assays for human serum and urine.

Science.gov (United States)

Miura, Chitose; Funaya, Noriko; Matsunaga, Hisami; Haginaka, Jun

2013-11-01

Molecularly imprinted polymers (MIPs) for creatinine were prepared by modified precipitation polymerization using methacrylic acid as a functional monomer and divinylbenzene as a crosslinker. The prepared MIPs were monodispersed with a narrow particle size distribution. Binding experiments and Scatchard analyses revealed that two classes of binding sites, high- and low-affinity sites, were formed on the MIPs. The retention and molecular-recognition properties of the MIPs were evaluated by hydrophilic interaction chromatography using a mixture of ammonium acetate buffer and acetonitrile as a mobile phase. With an increase of acetonitrile content, the retention factor of creatinine was increased on the MIP. In addition to shape recognition, hydrophilic interactions seemed to enhance the recognition of creatinine on the MIP. The MIPs' molecular-recognition ability was specific for creatinine; the structurally related compounds such as hydantoin, 1-methylhydantoin, 2-pyrrolidone, N-hydroxysuccinimide and creatine were not recognized. Furthermore, the creatinine concentrations in human serum and urine were successfully determined by direct injection of the deproteinized serum and diluted urine samples onto the MIP. Copyright © 2013 Elsevier B.V. All rights reserved.

Interaction of acetamiprid with extracellular polymeric substances ...

African Journals Online (AJOL)

Extracellular polymeric substances (EPS) are important components of activated sludge and it plays an important role in removing pollutants. The interaction between EPS and organic pollutants is still little known. In the present study, the interaction of soluble/bound EPS with acetamiprid, a neonicotinoid insecticide, was ...

N-Chlorosuccinimide (NCS): A Novel Initiator for Atom Transfer Radical Polymerization of Methyl Methacrylate

Institute of Scientific and Technical Information of China (English)

WANG,Xia-Yan; CHANG,Li-Qun; ZHOU,Hong; ZHANG,Ke-Da

2006-01-01

Atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA) was achieved, using N-chlorosuccinimide (NCS) as an initiator together with catalytic system CuCl/PMDETA (N,N,N',N',N"-pentamethyldiethyl-enetriamine), CuCl/MA5-DETA (N,N,N',N',N"-penta(methylacrylate)diethylenetriamine), and CuCl/bipy (bipy=2,2'-bipyridyl) respectively. The results indicated that the polymerization possessed typical controlled/living radical polymerization characteristics. The analysis for terminal group of obtained polymer by 1H NMR proved that NCS is an initiator for ATRP. In comparison with NBS, the polymerization rate was slower and the resulted polymer had narrower molecular weight distribution (MWD) when NCS was employed as the initiator.

Studies on radiation-induced graft polymerization

International Nuclear Information System (INIS)

Omichi, Hideki

1978-09-01

Radiation-induced graft polymerization is used extensively to improve physical properties of polymers, but few processes are now commercialized. The reason for this is partly inadequate basic research on the reaction and partly the difficulty in developing the grafting process with large radiation source. Firstly, new techniques are proposed of studying kinetics of the graft polymerization in heterogeneous system. Based on the grafting yield, the molecular weight of graft chains, and the amount of radicals given by ESR and activation analysis, kinetic parameters are obtained and the reaction mechanism of grafting process is discussed. Secondly, the development of grafting process of poly (vinyl chloride)-butadiene is described. By study of the reaction, process design, construction and operation of the pilot plant, and economic analysis of the process, this process with 60 Co gamma ray sources is shown to be industrially promising. (author)

Integrated Molecular Imaging and Therapy for Breast Cancer

National Research Council Canada - National Science Library

Panchapakesan, Balaji

2008-01-01

...) and NIR dosing of cancer cells using SWCNT. While previous studies have shown the transport of DNA into cells using nanotubes, in this study we show multi-component molecular targeting of both IGF1R and Her2 surface markers in cancer cells...

Molecular motion and structure in plastics

International Nuclear Information System (INIS)

Doolan, K.R.; Baxter, M.

2000-01-01

Full text: When molten thermoplastics solidify, the polymeric chains form a completely amorphous structure or a mixture of crystalline and amorphous regions. Measurement of Nuclear Magnetic Resonance (NMR) relaxation times provides information about the configuration and molecular motion of polymeric chains in solid plastics. We are currently measuring the NMR relaxation times T 1 , T 2 , T 2 and T 1p as a function of temperature using a Bruker High Power pulsed NMR Spectrometer for several different classes of thermoplastics containing varying concentrations of inorganic filler materials. We present data here for T 1 , and T 2 obtained for polyethylenes, polypropylenes, polystyrenes and acrylics in the temperature range 100 K to 450 K. At temperatures below 320 K, all of the polyethylenes and polypropylenes and some of the polystyrenes and acrylics produced NMR signals after a single radio frequency (RF) pulse with rapidly and slowly decaying components corresponding to the rigid and flexible regions within the plastic. From these results we have estimated using Mathematica the amount of crystallinity within the polyethylenes and polypropylenes. For the impact modified polystyrenes and acrylics studied we have estimated the amounts of elastomeric phases present. We find that the initial rapid decay signal produced by polyethylenes and polypropylenes is Gaussian while the long tail is Lorentzian. All of the signal components from the polystyrenes and the acrylics were fitted using Lorentzian functions indicating their structures are highly amorphous. Addition of CaCO 3 filler to polypropylene resins appears to reduce the crystallinity of the material. We also present data for the activation energy of the molecular motion inducing longitudinal relaxation, from T 1 measurements

Molecular depth profiling of multi-layer systems with cluster ion sources

Energy Technology Data Exchange (ETDEWEB)

Cheng, Juan [Department of Chemistry, Penn State University, University Park, PA 16802 (United States); Winograd, Nicholas [Department of Chemistry, Penn State University, University Park, PA 16802 (United States)]. E-mail: nxw@psu.edu

2006-07-30

Cluster bombardment of molecular films has created new opportunities for SIMS research. To more quantitatively examine the interaction of cluster beams with organic materials, we have developed a reproducible platform consisting of a well-defined sugar film (trehalose) doped with peptides. Molecular depth profiles have been acquired with these systems using C{sub 60} {sup +} bombardment. In this study, we utilize this platform to determine the feasibility of examining buried interfaces for multi-layer systems. Using C{sub 60} {sup +} at 20 keV, several systems have been tested including Al/trehalose/Si, Al/trehalose/Al/Si, Ag/trehalose/Si and ice/trehalose/Si. The results show that there can be interactions between the layers during the bombardment process that prevent a simple interpretation of the depth profile. We find so far that the best results are obtained when the mass of the overlayer atoms is less than or nearly equal to the mass of the atoms in buried molecules. In general, these observations suggest that C{sub 60} {sup +} bombardment can be successfully applied to interface characterization of multi-layer systems if the systems are carefully chosen.

Experimental study of multi-component separation by gas centrifuge

International Nuclear Information System (INIS)

Zhou, M.S.; Liang, X.W.; Chen, W.N.; Yin, Y.T.

2006-01-01

Stable isotopes are applied in many areas and most stable isotopes are multi-component, This paper presents experimental results of several stable isotopes separation conducted in Tsinghua University by using ultra-speed gas centrifuges. Xe, WF 6 , TeF 6 , SiHCl 3 , SiF 4 were chosen as the process gases. By adjusting some of the centrifuge's parameters, the suitable centrifuge parameters for different process gas separations were found and the overall unit separation factors γ 0 were obtained by means of single gas centrifuge separation. The experimental results show that with appropriate process gases, stable isotope separation by gas centrifuge was effective. (authors)

Exposure to a multi-level multi-component childhood obesity prevention community-randomized controlled trial: patterns, determinants, and implications.

Science.gov (United States)

Trude, Angela Cristina Bizzotto; Kharmats, Anna Yevgenyevna; Jones-Smith, Jessica C; Gittelsohn, Joel

2018-05-22

For community interventions to be effective in real-world conditions, participants need to have sufficient exposure to the intervention. It is unclear how the dose and intensity of the intervention differ among study participants in low-income areas. We aimed to understand patterns of exposure to different components of a multi-level multi-component obesity prevention program to inform our future impact analyses. B'more Healthy Communities for Kids (BHCK) was a community-randomized controlled trial implemented in 28 low-income zones in Baltimore in two rounds (waves). Exposure to three different intervention components (corner store/carryout restaurants, social media/text messaging, and youth-led nutrition education) was assessed via post-intervention interviews with 385 low-income urban youths and their caregivers. Exposure scores were generated based on self-reported viewing of BHCK materials (posters, handouts, educational displays, and social media posts) and participating in activities, including taste tests during the intervention. For each intervention component, points were assigned for exposure to study materials and activities, then scaled (0-1 range), yielding an overall BHCK exposure score [youths: mean 1.1 (range 0-7.6 points); caregivers: 1.1 (0-6.7), possible highest score: 13]. Ordered logit regression analyses were used to investigate correlates of youths' and caregivers' exposure level (quartile of exposure). Mean intervention exposure scores were significantly higher for intervention than comparison youths (mean 1.6 vs 0.5, p selection bias may exist affecting causal inference. ClinicalTrials.gov, NCT02181010 . Retrospectively registered on 2 July 2014.

Visual detection of glial cell line-derived neurotrophic factor based on a molecular translator and isothermal strand-displacement polymerization reaction.

Science.gov (United States)

Zhang, Li-Yong; Xing, Tao; Du, Li-Xin; Li, Qing-Min; Liu, Wei-Dong; Wang, Ji-Yue; Cai, Jing

2015-01-01

Glial cell line-derived neurotrophic factor (GDNF) is a small protein that potently promotes the survival of many types of neurons. Detection of GDNF is vital to monitoring the survival of sympathetic and sensory neurons. However, the specific method for GDNF detection is also un-discovered. The purpose of this study is to explore the method for protein detection of GDNF. A novel visual detection method based on a molecular translator and isothermal strand-displacement polymerization reaction (ISDPR) has been proposed for the detection of GDNF. In this study, a molecular translator was employed to convert the input protein to output deoxyribonucleic acid signal, which was further amplified by ISDPR. The product of ISDPR was detected by a lateral flow biosensor within 30 minutes. This novel visual detection method based on a molecular translator and ISDPR has very high sensitivity and selectivity, with a dynamic response ranging from 1 pg/mL to 10 ng/mL, and the detection limit was 1 pg/mL of GDNF. This novel visual detection method exhibits high sensitivity and selectivity, which is very simple and universal for GDNF detection to help disease therapy in clinical practice.

Thermodynamic Presynthetic Considerations for Ring-Opening Polymerization.

Science.gov (United States)

Olsén, Peter; Odelius, Karin; Albertsson, Ann-Christine

2016-03-14

The need for polymers for high-end applications, coupled with the desire to mimic nature's macromolecular machinery fuels the development of innovative synthetic strategies every year. The recently acquired macromolecular-synthetic tools increase the precision and enable the synthesis of polymers with high control and low dispersity. However, regardless of the specificity, the polymerization behavior is highly dependent on the monomeric structure. This is particularly true for the ring-opening polymerization of lactones, in which the ring size and degree of substitution highly influence the polymer formation properties. In other words, there are two important factors to contemplate when considering the particular polymerization behavior of a specific monomer: catalytic specificity and thermodynamic equilibrium behavior. This perspective focuses on the latter and undertakes a holistic approach among the different lactones with regard to the equilibrium thermodynamic polymerization behavior and its relation to polymer synthesis. This is summarized in a monomeric overview diagram that acts as a presynthetic directional cursor for synthesizing highly specific macromolecules; the means by which monomer equilibrium conversion relates to starting temperature, concentration, ring size, degree of substitution, and its implications for polymerization behavior are discussed. These discussions emphasize the importance of considering not only the catalytic system but also the monomer size and structure relations to thermodynamic equilibrium behavior. The thermodynamic equilibrium behavior relation with a monomer structure offers an additional layer of complexity to our molecular toolbox and, if it is harnessed accordingly, enables a powerful route to both monomer formation and intentional macromolecular design.

Electrochemical roles of extracellular polymeric substances in biofilms

DEFF Research Database (Denmark)

Xiao, Yong; Zhao, Feng

2017-01-01

Most microbial cells in nature are surrounded by extracellular polymeric substances (EPS), which are fundamental components and determine the physiochemical properties of a biofilm. This review highlights the EPS properties of conductivity and redox ability from an electrochemical perspective, em...

Ultrahigh Molecular Weight Linear Block Copolymers: Rapid Access by Reversible-Deactivation Radical Polymerization and Self- Assembly into Large Domain Nanostructures

Energy Technology Data Exchange (ETDEWEB)

Mapas, Jose Kenneth D.; Thomay, Tim; Cartwright, Alexander N.; Ilavsky, Jan; Rzayev, Javid

2016-05-05

Block copolymer (BCP) derived periodic nanostructures with domain sizes larger than 150 nm present a versatile platform for the fabrication of photonic materials. So far, the access to such materials has been limited to highly synthetically involved protocols. Herein, we report a simple, “user-friendly” method for the preparation of ultrahigh molecular weight linear poly(solketal methacrylate-b-styrene) block copolymers by a combination of Cu-wire-mediated ATRP and RAFT polymerizations. The synthesized copolymers with molecular weights up to 1.6 million g/mol and moderate dispersities readily assemble into highly ordered cylindrical or lamella microstructures with domain sizes as large as 292 nm, as determined by ultra-small-angle x-ray scattering and scanning electron microscopy analyses. Solvent cast films of the synthesized block copolymers exhibit stop bands in the visible spectrum correlated to their domain spacings. The described method opens new avenues for facilitated fabrication and the advancement of fundamental understanding of BCP-derived photonic nanomaterials for a variety of applications.

Radiation processing of polymer emulsion, (4). Radiation-induced emulsion polymerization of methyl methacrylate at low temperature

Energy Technology Data Exchange (ETDEWEB)

Makuuchi, Keizo; Katakai, Akio; Ito, Hiroshi; Hayakawa, Naohiro; Araki, Kunio (Japan Atomic Energy Research Inst., Takasaki, Gunma. Takasaki Radiation Chemistry Research Establishment)

1983-06-01

Methyl methacrylate was polymerized in emulsion by Co-60 ..gamma..-rays below 19 deg C in a batch reactor by using sodium lauryl sulfate as emulsifier. The conversion-time curves of the polymerization system showed two rate regions, i.e., a fact conversion rate in early stage, and a much slower rate in latter stage. The change in rate occurred at about 70 % conversion. The molecular weight of product polymer decreased with increasing conversion during the course of polymerization in latter stage, in contrast to the behavior in early stage. The distribution of the monomer in emulsion in latter stage was evaluated by nuclear magnetic resonance technique. The decrease of the molecular weight with conversion is due to the radiation-induced degradation of product polymer accelerated by the monomers absorbed in the polymer particles.

Gas phase polymerization of propylene. Reaction kinetics and molecular weight distribution

NARCIS (Netherlands)

Meier, G.B.; Weickert, G.; van Swaaij, Willibrordus Petrus Maria

2001-01-01

Gas-phase polymerizations have been executed at different temperatures, pressures, and hydrogen concentrations using Me2Si[Ind]2ZrCl2 / methylaluminoxane / SiO2(Pennsylvania Quarts) as a catalyst. The reaction rate curves have been described by a kinetic model, which takes into account the initially

The effects of LMWOAs on biodegradation of multi-component PAHs in aqueous solution using dual-wavelength fluorimetry

International Nuclear Information System (INIS)

Wei Xingyuan; Sang Lingzi; Chen Jianing; Zhu Yaxian; Zhang Yong

2009-01-01

Biodegradation of dissolved fluorene (Flu), phenanthrene (Ph) and pyrene (Py), three polycyclic aromatic hydrocarbons (PAHs), singly or as a mixture of the three, by two bacterial strains, MEBIC 5140 (Mycobacterium flavescens) and MEBIC 5141 (Mycobacterium scrofulaceum), as well as the effects of low molecular weight organic acids (LMWOAs), e.g. malic acid, citric acid and butyric acid on biodegradation of the three PAHs in mineral salts medium aqueous solution were investigated using a newly established dual-wavelength fluorimetric method. The results showed that biodegradation processes can be monitored simultaneously, quickly and simply by dual-wavelength fluorimetry. Both co-metabolism and inhibitory effects were found during the biodegradation of the three PAHs by MEBIC 5140 and MEBIC 5141. Positive effects of butyric acid and negative effects of citric acid on biodegradation of the three PAHs in a mixture were observed. - Biodegradation processes of dissolved multi-component PAHs in a mixture and effects of LMWOAs were investigated using a dual-wavelength fluorimetry.

Synthesis of High cis-Polybutadiene in Styrene Solution with Neodymium-Based Catalysts: Towards the Preparation of HIPS and ABS via In Situ Bulk Polymerization

Directory of Open Access Journals (Sweden)

Ramón Díaz de León

2016-01-01

Full Text Available In a first step, 1,3-butadiene was selectively polymerized at 60°C in styrene as solvent using NdV3/DIBAH/EASC as the catalyst system. The catalyst system activation process, the addition order of monomers and catalyst components, and the molar ratios [Al]/[Nd] and [Cl]/[Nd] were studied. The catalyst system allowed the selective 1,3-butadiene polymerization, reaching conversions between 57.5 and 88.1% with low polystyrene contents in the order of 6.3 to 15.4%. Molecular weights ranging from 39,000 to 150,000 g/mol were obtained, while cis-1,4 content was found in the interval of 94.4 to 96.4%. On the other hand, the glass transition temperatures of synthesized materials were established in the range of −101.9 to −107.4°C, explained by the presence of polystyrene segments in the polybutadiene chains; in the same sense, the polybutadienes did not show the typical melting endotherm of high cis-polybutadienes. In a second step, the resulting styrene/high cis-1,4 polybutadiene solutions were used to synthesize ABS (adding a fraction of acrylonitrile monomer and HIPS via in situ bulk polymerizations and the results were discussed in terms of morphological development, molecular parameters, dynamical mechanical behavior, and mechanical properties.

One-pot multi-component green synthesis of highly substituted piperidines

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Ravi Bansal

2017-05-01

Full Text Available An effective and expeditious method of the synthesis of a highly functionalized piperidines, catalyzed by nontoxic, recyclable and environment friendly sodium lauryl sulfate (SLS, via one-pot multi-component condensation of aldehydes, amines and β-ketoesters in water at room temperature, has been developed. This new protocol has advantages such as moderate to high yields of products obtained after simple post reaction workup. Structure of the synthesized compounds 4a–4j have been elucidated based on the 1H NMR, 13C NMR, FT-IR spectroscopy and elemental analysis.

Damping Oriented Design of Thin-Walled Mechanical Components by Means of Multi-Layer Coating Technology

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Giuseppe Catania

2018-02-01

Full Text Available The damping behaviour of multi-layer composite mechanical components, shown by recent research and application papers, is analyzed. A local dissipation mechanism, acting at the interface between any two different layers of the composite component, is taken into account, and a beam model, to be used for validating the known experimental results, is proposed. Multi-layer prismatic beams, consisting of a metal substrate and of some thin coated layers exhibiting variable stiffness and adherence properties, are considered in order to make it possible to study and validate this assumption. A dynamical model, based on a simple beam geometry but taking into account the previously introduced local dissipation mechanism and distributed visco-elastic constraints, is proposed. Some different application examples of specific multi-layer beams are considered, and some numerical examples concerning the beam free and forced response are described. The influence of the multilayer system parameters on the damping behaviour of the free and forced response of the composite beam is investigated by means of the definition of some damping estimators. Some effective multi-coating configurations, giving a relevant increase of the damping estimators of the coated structure with respect to the same uncoated structure, are obtained from the model simulation, and the results are critically discussed.

Polymerization of Various Lignins via Immobilized Myceliophthora thermophila Laccase (MtL

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Daniela Huber

2016-08-01

Full Text Available Enzymatic polymerization of lignin is an environmentally-friendly and sustainable method that is investigated for its potential in opening-up new applications of one of the most abundant biopolymers on our planet. In this work, the laccase from Myceliophthora thermophila was successfully immobilized onto Accurel MP1000 beads (67% of protein bound to the polymeric carrier and the biocatalyzed oxidation of Kraft lignin (KL and lignosulfonate (LS were carried out. Fluorescence intensity determination, phenol content analysis and size exclusion chromatography were performed in order to elucidate the extent of the polymerization reaction. The collected results show an 8.5-fold decrease of the LS samples’ fluorescence intensity after laccase-mediated oxidation and a 12-fold increase of the weight average molecular weight was obtained.

Experimental investigation of surface determination process on multi-material components for dimensional computed tomography

DEFF Research Database (Denmark)

Borges de Oliveira, Fabrício; Stolfi, Alessandro; Bartscher, Markus

2016-01-01

The possibility of measuring multi-material components, while assessing inner and outer features simultaneously makes X-ray computed tomography (CT) the latest evolution in the field of coordinate measurement systems (CMSs). However, the difficulty in selecting suitable scanning parameters and su...

Self-folding micropatterned polymeric containers.

Science.gov (United States)

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

2011-02-01

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

Evidence of low molecular weight components in the organic matrix of the reef building coral, Stylophora pistillata.

Science.gov (United States)

Puverel, S; Houlbrèque, F; Tambutté, E; Zoccola, D; Payan, P; Caminiti, N; Tambutté, S; Allemand, D

2007-08-01

Biominerals contain both inorganic and organic components. Organic components are collectively termed the organic matrix, and this matrix has been reported to play a crucial role in mineralization. Several matrix proteins have been characterized in vertebrates, but only a few in invertebrates, primarily in Molluscs and Echinoderms. Methods classically used to extract organic matrix proteins eliminate potential low molecular weight matrix components, since cut-offs ranging from 3.5 to 10 kDa are used to desalt matrix extracts. Consequently, the presence of such components remains unknown and these are never subjected to further analyses. In the present study, we have used microcolonies from the Scleractinian coral Stylophora pistillata to study newly synthesized matrix components by labelling them with 14C-labelled amino acids. Radioactive matrix components were investigated by a method in which both total organic matrix and fractions of matrix below and above 5 kDa were analyzed. Using this method and SDS-PAGE analyses, we were able to detect the presence of low molecular mass matrix components (weight molecules, these probably form the bulk of newly synthesized organic matrix components. Our results suggest that these low molecular weight components may be peptides, which can be involved in the regulation of coral skeleton mineralization.

Aero Engine Component Fault Diagnosis Using Multi-Hidden-Layer Extreme Learning Machine with Optimized Structure

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Shan Pang

2016-01-01

Full Text Available A new aero gas turbine engine gas path component fault diagnosis method based on multi-hidden-layer extreme learning machine with optimized structure (OM-ELM was proposed. OM-ELM employs quantum-behaved particle swarm optimization to automatically obtain the optimal network structure according to both the root mean square error on training data set and the norm of output weights. The proposed method is applied to handwritten recognition data set and a gas turbine engine diagnostic application and is compared with basic ELM, multi-hidden-layer ELM, and two state-of-the-art deep learning algorithms: deep belief network and the stacked denoising autoencoder. Results show that, with optimized network structure, OM-ELM obtains better test accuracy in both applications and is more robust to sensor noise. Meanwhile it controls the model complexity and needs far less hidden nodes than multi-hidden-layer ELM, thus saving computer memory and making it more efficient to implement. All these advantages make our method an effective and reliable tool for engine component fault diagnosis tool.

General N-Dark Soliton Solutions of the Multi-Component Mel'nikov System

Science.gov (United States)

Han, Zhong; Chen, Yong; Chen, Junchao

2017-07-01

A general form of N-dark soliton solutions of the multi-component Mel'nikov system are presented. Taking the coupled Mel'nikov system comprised of two-component short waves and one-component long wave as an example, its general N-dark-dark soliton solutions in Gram determinant form are constructed through the KP hierarchy reduction method. The dynamics of single dark-dark soliton and two dark-dark solitons are discussed in detail. It can be shown that the collisions of dark-dark solitons are elastic and energies of the solitons in different components completely transmit through. In addition, the dark-dark soliton bound states including both stationary and moving cases are also investigated. An interesting feature for the coupled Mel'nikov system is that the stationary dark-dark soliton bound states can exist for all possible combinations of nonlinearity coefficients including positive, negative and mixed types, while the moving case are possible when nonlinearity coefficients take opposite signs or they are both negative.

Production methodologies of polymeric and hydrogel particles for drug delivery applications.

Science.gov (United States)

Lima, Ana Catarina; Sher, Praveen; Mano, João F

2012-02-01

Polymeric particles are ideal vehicles for controlled delivery applications due to their ability to encapsulate a variety of substances, namely low- and high-molecular mass therapeutics, antigens or DNA. Micro and nano scale spherical materials have been developed as carriers for therapies, using appropriated methodologies, in order to achieve a prolonged and controlled drug administration. This paper reviews the methodologies used for the production of polymeric micro/nanoparticles. Emulsions, phase separation, spray drying, ionic gelation, polyelectrolyte complexation and supercritical fluids precipitation are all widely used processes for polymeric micro/nanoencapsulation. This paper also discusses the recent developments and patents reported in this field. Other less conventional methodologies are also described, such as the use of superhydrophobic substrates to produce hydrogel and polymeric particulate biomaterials. Polymeric drug delivery systems have gained increased importance due to the need for improving the efficiency and versatility of existing therapies. This allows the development of innovative concepts that could create more efficient systems, which in turn may address many healthcare needs worldwide. The existing methods to produce polymeric release systems have some critical drawbacks, which compromise the efficiency of these techniques. Improvements and development of new methodologies could be achieved by using multidisciplinary approaches and tools taken from other subjects, including nanotechnologies, biomimetics, tissue engineering, polymer science or microfluidics.

Radical-Mediated Enzymatic Polymerizations

Science.gov (United States)

Zavada, Scott R.; Battsengel, Tsatsral; Scott, Timothy F.

2016-01-01

Polymerization reactions are commonly effected by exposing monomer formulations to some initiation stimulus such as elevated temperature, light, or a chemical reactant. Increasingly, these polymerization reactions are mediated by enzymes―catalytic proteins―owing to their reaction efficiency under mild conditions as well as their environmental friendliness. The utilization of enzymes, particularly oxidases and peroxidases, for generating radicals via reduction-oxidation mechanisms is especially common for initiating radical-mediated polymerization reactions, including vinyl chain-growth polymerization, atom transfer radical polymerization, thiol–ene step-growth polymerization, and polymerization via oxidative coupling. While enzyme-mediated polymerization is useful for the production of materials intended for subsequent use, it is especially well-suited for in situ polymerizations, where the polymer is formed in the place where it will be utilized. Such polymerizations are especially useful for biomedical adhesives and for sensing applications. PMID:26848652

Thermally Stable, Piezoelectric and Pyroelectric Polymeric Substrates and Method Relating Thereto

Science.gov (United States)

Simpson, Joycelyn O. (Inventor); St.Clair, Terry L. (Inventor)

1995-01-01

Production of an electric voltage in response to mechanical excitation (piezoelectricity) or thermal excitation (pyroelectricity) requires a material to have a preferred dipole orientation in its structure. This preferred orientation or polarization occurs naturally in some crystals such as quartz and can be induced into some ceramic and polymeric materials by application of strong electric or mechanical fields. For some materials, a combination of mechanical and electrical orientation is necessary to completely polarize the material. The only commercially available piezoelectric polymer is poly(vinylidene fluoride) (PVF2). However, this polymer has material and process limitations which prohibit its use in numerous device applications where thermal stability is a requirement. By the present invention, thermally stable, piezoelectric and pyroelectric polymeric substrates were prepared from polymers having a softening temperature greater than 1000C. A metal electrode material is deposited onto the polymer substrate and several electrical leads are attached to it. The polymer substrate is heated in a low dielectric medium to enhance molecular mobility of the polymer chains. A voltage is then applied to the polymer substrate inducing polarization. The voltage is then maintained while the polymer substrate is cooled 'freezing in' the molecular orientation. The novelty of the invention resides in the process of preparing the piezoelectric and pyroelectric polymeric substrate. The nonobviousness of the invention is found in heating the polymeric substrate in a low dielectric medium while applying a voltage.

Preparation and Applications of Amylose Supramolecules by Means of Phosphorylase-Catalyzed Enzymatic Polymerization

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Jun-ichi Kadokawa

2012-01-01

Full Text Available This paper reviews preparation and applications of amylose supramolecules by means of phosphorylase-catalyzed enzymatic polymerization. When the enzymatic polymerization of α-d-glucose 1-phosphate (G-1-P as a monomer was carried out in the presence of poly(tetrahydrofuran (PTHF of a hydrophobic polyether as a guest polymer, the supramolecule, i.e., an amylose-PTHF inclusion complex, was formed in the process of polymerization. Because the representation of propagation in the polymerization is similar to the way that vines of plants grow twining around rods, this polymerization method for the preparation of amylose-polymer inclusion complexes was proposed to be named “vine-twining polymerization”. Various hydrophobic polyethers, polyesters, poly(ester-ether, and polycarbonates were also employed as the guest polymer in the vine-twining polymerization to produce the corresponding inclusion complexes. To obtain the inclusion complex from a strongly hydrophobic guest polymer, the parallel enzymatic polymerization system was developed as an advanced extension of the vine-twining polymerization. In addition, it was found that amylose selectively includes one side of the guest polymer from a mixture of two resemblant guest polymers, as well as a specific range in molecular weights of the guest PTHF. Amylose also exhibited selective inclusion behavior toward stereoisomers of poly(lactides. Moreover, the preparation of hydrogels through the formation of inclusion complexes of amylose in vine-twining polymerization was achieved.

Thermodynamically consistent modeling and simulation of multi-component two-phase flow with partial miscibility

KAUST Repository

Kou, Jisheng; Sun, Shuyu

2017-01-01

A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is an attractive

Architecture of Amylose Supramolecules in Form of Inclusion Complexes by Phosphorylase-Catalyzed Enzymatic Polymerization

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Jun-ichi Kadokawa

2013-07-01

Full Text Available This paper reviews the architecture of amylose supramolecules in form of inclusion complexes with synthetic polymers by phosphorylase-catalyzed enzymatic polymerization. Amylose is known to be synthesized by enzymatic polymerization using α-d-glucose 1-phosphate as a monomer, by phosphorylase catalysis. When the phosphorylase-catalyzed enzymatic polymerization was conducted in the presence of various hydrophobic polymers, such as polyethers, polyesters, poly(ester-ether, and polycarbonates as a guest polymer, such inclusion supramolecules were formed by the hydrophobic interaction in the progress of polymerization. Because the representation of propagation in the polymerization is similar to the way that a vine of a plant grows, twining around a rod, this polymerization method for the formation of amylose-polymer inclusion complexes was proposed to be named “vine-twining polymerization”. To yield an inclusion complex from a strongly hydrophobic polyester, the parallel enzymatic polymerization system was extensively developed. The author found that amylose selectively included one side of the guest polymer from a mixture of two resemblant guest polymers, as well as a specific range in molecular weights of the guest polymers poly(tetrahydrofuran (PTHF in the vine-twining polymerization. Selective inclusion behavior of amylose toward stereoisomers of chiral polyesters, poly(lactides, also appeared in the vine-twining polymerization.

Polymerization of acrylamide initiated with Ce(IV- and KMnO4–mercaptosuccinic acid redox systems in acid-aqueous medium

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2007-03-01

Full Text Available By using mercaptosuccinic acid-cerium(IV sulfate and mercaptosuccinic acid-KMnO4 redox systems in acid aqueous medium, the polymerization of acrylamide monomer was performed at room temperatures. Water soluble acrylamide polymers which contain mercaptosuccinic acid end-groups were synthesized. The dependence of polymerization yield and the molecular weight of polymer on the initiator concentration(nMSA=nCe(IV at different acid concentrations, polymerization time, temperature, and concentration of sulfuric acid was investigated. The decrease in the initiator concentration resulted in an increase in the molecular weights but a decrease in the yield. The increase of reaction temperature from 20 to 60°C resulted in an increase in the molecular weights and slight decrease of the yield of polymer. Cerium and manganese ions are reduced to Ce(III and Mn(II ions respectively in polymerization reaction. The existence of Ce(III ion bound to polymer was investigated by UV-visible spectrometry and fluorescence measurements. The amount of Mn(II which is incorporated to the polymer was determined.

Clinicopathologic and Molecular Features of Colorectal Adenocarcinoma with Signet-Ring Cell Component.

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Qing Wei

Full Text Available We performed a retrospective study to assess the clinicopathological characters, molecular alterations and multigene mutation profiles in colorectal cancer patients with signet-ring cell component.Between November 2008 and January 2015, 61 consecutive primary colorectal carcinomas with signet-ring cell component were available for pathological confirmation. RAS/BRAF status was performed by direct sequencing. 14 genes associated with hereditary cancer syndromes were analyzed by targeted gene sequencing.A slight male predominance was detected in these patients (59.0%. Colorectal carcinomas with signet-ring cell component were well distributed along the large intestine. A frequently higher TNM stage at the time of diagnosis was observed, compared with the conventional adenocarcinoma. Family history of malignant tumor was remarkable with 49.2% in 61 cases. The median OS time of stage IV patients in our study was 14 months. RAS mutations were detected in 22.2% (12/54 cases with KRAS mutations in 16.7% (9/54 cases and Nras mutations in 5.4%(3/54 cases. BRAF V600E mutation was detected in 3.7% (2/54 cases. As an exploration, we analyzed 14 genes by targeted gene sequencing. These genes were selected based on their biological role in association with hereditary cancer syndromes. 79.6% cases carried at least one pathogenic mutation. Finally, the patients were classified by the percentage of signet-ring cell. 39 (63.9% cases were composed of ≥50% signet-ring cells; 22 (36.1% cases were composed of <50% signet-ring cells. We compared clinical parameters, molecular and genetic alterations between the two groups and found no significant differences.Colorectal adenocarcinoma with signet-ring cell component is characterized by advanced stage at diagnosis with remarkable family history of malignant tumor. It is likely a negative prognostic factor and tends to affect male patients with low rates of RAS /BRAF mutation. Colorectal patients with any component of

POLYMERIZATION OF METHYL METHACRYLATE WITH ETHYLENE BRIDGED HETERODINUCLEAR METALLOCENE OF SAMARIUM AND TITANIUM-STUDY ON SYNERGISM AND KINETICS

Institute of Scientific and Technical Information of China (English)

无

2001-01-01

Comparison of MMA polymerization results with samarocene chloride, titanocene chloride and the title heterodinuclear (Sm-Ti) catalyst, respectively, showed synergism in the Sm-Ligand-Ti system, which ob viously influenced the polymerization behaviors, for example, of yielding higher activity and higher molecular weight polymer. Kinetic studies on polymerization of MMA with ethylene bridged samarocene and titanocene chloride/M(i-Bu) 3 showed that the polymerization rate was first-order on the catalyst concentration, and 1.9- order on the monomer. The overall activation energy measured was 52.8 kJ/mol.

Helping boys at-risk of criminal activity: qualitative results of a multi-component intervention

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Brennan Erin

2011-05-01

Full Text Available Abstract Background This qualitative study examines parent and child experiences of participation in a multi-component community-based program aimed at reducing offending behaviour, and increasing social competence in boys 6 to 11 years old in Hamilton, Ontario, Canada. The program builds on the concept of crime prevention through social development, and includes structured groups for the identified boy, parents, and siblings. Methods A sample of 35 families participating in the multi-component program took part in the qualitative study. Individual interviews with the boys, parents and siblings asked about changes in themselves, relationships with family and peers, and school after the group. Interviews were taped, transcribed and content analysis was used to code and interpret the data. Results Parents reported improvement in parenting skills and attainment of more effective communication skills, particularly with their children. Parents also found the relationships they formed with other parents in the program and the advice that they gained to be beneficial. Boys who participated in the program also benefited, with both parents and boys reporting improvements in boys' anger management skills, social skills, impulse control, and ability to recognize potentially volatile situations. Both parents and boys described overall improvement in family relationships and school-related success. Conclusions The qualitative data revealed that parents and boys participating in the multi-component program perceived improvements in a number of specific areas, including social competence of the boys. This has not been demonstrated as clearly in other evaluations of the program.

The molecular mechanism of multi-ion conduction in K{sup +} channels

Energy Technology Data Exchange (ETDEWEB)

Gwan, J.F.

2007-01-19

Steered molecular dynamics (SMD) simulation method is applied to a fully solvated membrane-channel model for studying the ion permeation process in potassium channels. The channel model is based on the crystallographic structure of a prokaryotic K{sup +} channel- the KcsA channel, which is a representative of most known eukaryotic K{sup +} channels. It has long been proposed that the ion transportation in a conventional K{sup +}-channel follows a multi-ion fashion: permeating ions line in a queue in the channel pore and move in a single file through the channel. The conventional view of multi-ion transportation is that the electrostatic repulsion between ions helps to overcome the attraction between ions and the channel pore. In this study, we proposed two SMD simulation schemes, referred to 'the single-ion SMD' simulations and 'the multi-ion SMD' simulations. Concerted movements of a K-W-K sequence in the selectivity filter were observed in the single-ion SMD simulations. The analysis of the concerted movement reveals the molecular mechanism of the multi-ion transportation. It shows that, rather than the long range electrostatic interaction, the short range polar interaction is a more dominant factor in the multi-ion transportation. The polar groups which play a role in the concerted transportation are the water molecules and the backbone carbonyl groups of the selectivity filter. The polar interaction is sensitive to the relative orientation of the polar groups. By changing the orientation of a polar group, the interaction may switch from attractive to repulsive or vice versa. By this means, the energy barrier between binding sites in the selectivity filter can be switched on and off, and therefore the K{sup +} may be able to move to the neighboring binding site without an external driving force. The concerted transportation in the selectivity filter requires a delicate cooperation between K{sup +}, waters, and the backbone carbonyl groups. To

Functionalization of multi-walled carbon nanotubes by epoxide ring-opening polymerization

International Nuclear Information System (INIS)

Jin Fanlong; Rhee, Kyong Yop; Park, Soo-Jin

2011-01-01

In this study, covalent functionalization of carbon nanotubes (CNTs) was accomplished by surface-initiated epoxide ring-opening polymerization. FT-IR spectra showed that polyether and epoxide group covalently attached to the sidewalls of CNTs. TGA results indicated that the polyether was successfully grown from the CNT surface, with the final products having a polymer weight percentage of ca. 14–74 wt%. The O/C ratio of CNTs increased significantly from 5.1% to 29.8% after surface functionalization of CNTs. SEM and TEM images of functionalized CNTs exhibited that the tubes were enwrapped by polymer chains with thickness of several nanometers, forming core–shell structures with CNTs at the center. - Graphical abstract: Functionalized CNTs were enwrapped by polymer chains with thickness of several nanometers, forming core–shell structures with CNTs at the center. Highlights: ► CNTs were functionalized by epoxide ring-opening polymerization. ► Polyether and epoxide group covalently attached to the sidewalls of CNTs. ► Functionalized CNTs have a polymer weight percentage of ca. 14–74 wt%. ► Functionalized CNTs were enwrapped by polymer chains with thickness of several nanometers.

Reassessing molecular sieving by kinked carbon nanotubes

International Nuclear Information System (INIS)

Zhang, Zhongqiang; Ding, Jianning; Cheng, Guanggui; Ling, Zhiyong; Zhang, Hongwu; Zheng, Yonggang; Ye, Hongfei; Wang, Lei; Wang, Jinbao; Liu, Zhen

2011-01-01

Based on molecular dynamics simulations for the transport of pure nitrogen (N 2 ), oxygen (O 2 ) and their mixture in kinked single-walled carbon nanotubes (SWCNTs), molecular sieving by the kinked model of SWCNTs is presented. The influences of gas pressure, temperature and the component ratio of N 2 in the mixture on gas separation are investigated. Considering the tradeoff between the permeability and the purity of O 2 , the results show that a large gas pressure, 300–500 K of gas temperature and a low component ratio of N 2 in the N 2 –O 2 mixture can be advantageous to the efficiency of gas separation. The purity of O 2 can be kept higher than 80% when the component ratio of N 2 is lower than 3/4, which will be advantageous to the design of multi-level gas separation mechanisms. The findings may provide theoretical references for the design and manufacture of molecular sieving devices in engineering applications

Analytical modeling of multi-layered printed circuit board using multi-stacked via clusters as component heat spreader

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Monier-Vinard Eric

2016-01-01

Full Text Available In order to help the electronic designer to early determine the limits of the power dissipation of electronic component, an analytical model was established to allow a fast insight of relevant design parameters of a multi-layered electronic board constitution. The proposed steady-state approach based on Fourier series method promotes a practical solution to quickly investigate the potential gain of multi-layered thermal via clusters. Generally, it has been shown a good agreement between the results obtained by the proposed analytical model and those given by electronics cooling software widely used in industry. Some results highlight the fact that the conventional practices for Printed Circuit Board modeling can be dramatically underestimate source temperatures, in particular with smaller sources. Moreover, the analytic solution could be applied to optimize the heat spreading in the board structure with a local modification of the effective thermal conductivity layers.

Molecular Dynamics Simulation of a Multi-Walled Carbon Nanotube Based Gear

Science.gov (United States)

Han, Jie; Globus, Al; Srivastava, Deepak; Chancellor, Marisa K. (Technical Monitor)

1997-01-01

We used molecular dynamics to investigate the properties of a multi-walled carbon nanotube based gear. Previous work computationally suggested that molecular gears fashioned from (14,0) single-walled carbon nanotubes operate well at 50-100 gigahertz. The gears were formed from nanotubes with teeth added via a benzyne reaction known to occur with C60. A modified, parallelized version of Brenner's potential was used to model interatomic forces within each molecule. A Leonard-Jones 6-12 potential was used for forces between molecules. The gear in this study was based on the smallest multi-walled nanotube supported by some experimental evidence. Each gear was a (52,0) nanotube surrounding a (37,10) nanotube with approximate 20.4 and 16,8 A radii respectively. These sizes were chosen to be consistent with inter-tube spacing observed by and were slightly larger than graphite inter-layer spacings. The benzyne teeth were attached via 2+4 cycloaddition to exterior of the (52,0) tube. 2+4 bonds were used rather than the 2+2 bonds observed by Hoke since 2+4 bonds are preferred by naphthalene and quantum calculations by Jaffe suggest that 2+4 bonds are preferred on carbon nanotubes of sufficient diameter. One gear was 'powered' by forcing the atoms near the end of the outside buckytube to rotate to simulate a motor. A second gear was allowed to rotate by keeping the atoms near the end of its outside buckytube on a cylinder. The ends of both gears were constrained to stay in an approximately constant position relative to each other, simulating a casing, to insure that the gear teeth meshed. The stiff meshing aromatic gear teeth transferred angular momentum from the powered gear to the driven gear. The simulation was performed in a vacuum and with a software thermostat. Preliminary results suggest that the powered gear had trouble turning the driven gear without slip. The larger radius and greater mass of these gears relative to the (14,0) gears previously studied requires a

Emulsion polymerization with high energy radiation

International Nuclear Information System (INIS)

Stannett, V.T.; Stahel, E.P.

1992-01-01

High energy radiation, particularly that of cobalt-60 or caesium-137 gamma-rays, provides in principle an ideal initiator for emulsion polymerization. The high free radical yields from the radiolysis of the aqueous phase combined with the high kinetic chain lengths associated with emulsion polymerization lead to a highly effective utilization of the radiation. There are other important advantages compared with the use of chemical initiators such as potassium persulfate. These are outlined in the chapter, together with some attendant disadvantages. Radiation-induced initiation is temperature independent, and low temperature polymerizations can be conducted with ease. Monomers that mainly terminate their growing chains by chain transfer to monomer give higher molecular weights at lower temperatures. Industrially, vinyl acetate is an important example of such a monomer, and it has been studied using radiation initiation. Both laboratory and pilot plant studies have been carried out and reported. The results are summarized in this chapter. Styrene is the classical example of a material that under a number of conditions closely obeys the so-called ideal Smith-Ewart kinetics. It has been found that under similar conditions but substituting radiation for potassium persulfate as the initiator, ideal kinetics were closely followed. Most of the conventional and some non-standard vinyl and diene monomers have been studied to some extent with radiation-initiated polymerizations in emulsion. To conserve space however, this chapter presents and discusses the results obtained only with styrene and vinyl acetate, both in laboratory and pilot plant investigations. Other monomers and special situations are referenced either directly or to the other available reviews. (orig.)

The Multi-component X-ray Emission of 3C 273

Science.gov (United States)

Soldi, S.; Türler, M.; Paltani, S.; Courvoisier, T. J.-L.

2009-05-01

3C 273 is the brightest quasar in the sky and among the most extensively observed and studied AGN, therefore one of the most suitable targets for a long-term, multi-frequency study. The superposition of a thermal Comptonisation component, similar to that observed in Seyfert galaxies, and of a non-thermal component, related to the jet emission, seems to explain some of the spectral and timing properties of the X-ray emission of 3C 273. Yet, during some observations this dichotomy has not been observed and the variability properties could also be consistent with a single-component scenario, characterised by two parameters varying independently. In order to understand the nature of the X-ray emission in 3C 273, a series of observations up to 80-100 keV, possibly catching the source in different flux states, are essential. Simbol-X will be able to study the emission of 3C 273 in the broad 0.5-80 keV band with high sensitivity, allowing us to disentangle the emission from different spectral components, with 20-30 ks long observations. In addition, the shape and the origin of the high-energy emission of this quasar will be further constrained thanks to the AGILE and Fermi satellites, monitoring the γ-ray sky in the MeV-GeV energy domain.

MaMiCo: Transient multi-instance molecular-continuum flow simulation on supercomputers

Science.gov (United States)

Neumann, Philipp; Bian, Xin

2017-11-01

We present extensions of the macro-micro-coupling tool MaMiCo, which was designed to couple continuum fluid dynamics solvers with discrete particle dynamics. To enable local extraction of smooth flow field quantities especially on rather short time scales, sampling over an ensemble of molecular dynamics simulations is introduced. We provide details on these extensions including the transient coupling algorithm, open boundary forcing, and multi-instance sampling. Furthermore, we validate the coupling in Couette flow using different particle simulation software packages and particle models, i.e. molecular dynamics and dissipative particle dynamics. Finally, we demonstrate the parallel scalability of the molecular-continuum simulations by using up to 65 536 compute cores of the supercomputer Shaheen II located at KAUST. Program Files doi:http://dx.doi.org/10.17632/w7rgdrhb85.1 Licensing provisions: BSD 3-clause Programming language: C, C++ External routines/libraries: For compiling: SCons, MPI (optional) Subprograms used: ESPResSo, LAMMPS, ls1 mardyn, waLBerla For installation procedures of the MaMiCo interfaces, see the README files in the respective code directories located in coupling/interface/impl. Journal reference of previous version: P. Neumann, H. Flohr, R. Arora, P. Jarmatz, N. Tchipev, H.-J. Bungartz. MaMiCo: Software design for parallel molecular-continuum flow simulations, Computer Physics Communications 200: 324-335, 2016 Does the new version supersede the previous version?: Yes. The functionality of the previous version is completely retained in the new version. Nature of problem: Coupled molecular-continuum simulation for multi-resolution fluid dynamics: parts of the domain are resolved by molecular dynamics or another particle-based solver whereas large parts are covered by a mesh-based CFD solver, e.g. a lattice Boltzmann automaton. Solution method: We couple existing MD and CFD solvers via MaMiCo (macro-micro coupling tool). Data exchange and

[CoCuMnOx Photocatalyzed Oxidation of Multi-component VOCs and Kinetic Analysis].

Science.gov (United States)

Meng, Hai-long; Bo, Long-li; Liu, Jia-dong; Gao, Bo; Feng, Qi-qi; Tan, Na; Xie, Shuai

2016-05-15

Solar energy absorption coating CoCuMnOx was prepared by co-precipitation method and applied to photodegrade multi- component VOCs including toluene, ethyl acetate and acetone under visible light irradiation. The photocatalytic oxidation performance of toluene, ethyl acetate and acetone was analyzed and reaction kinetics of VOCs were investigated synchronously. The research indicated that removal rates of single-component toluene, ethyl acetate and acetone were 57%, 62% and 58% respectively under conditions of 400 mg · m⁻³ initial concentration, 120 mm illumination distance, 1 g/350 cm² dosage of CoCuMnOx and 6 h of irradiation time by 100 W tungsten halogen lamp. Due to the competition among different VOCs, removal efficiencies in three-component mixture were reduced by 5%-26% as compared with single VOC. Degradation processes of single-component VOC and three-component VOCs both fitted pseudo first order reaction kinetics, and kinetic constants of toluene, ethyl acetate and acetone were 0.002, 0.002 8 and 0.002 33 min⁻¹ respectively under single-component condition. Reaction rates of VOCs in three-component mixture were 0.49-0.88 times of single components.

Elektroaktive polymerer

DEFF Research Database (Denmark)

West, K.

Traditionelt tænker vi på polymerer (plastik) som elektrisk isolerende materialer - det som er udenpå ledningerne. I dag kender vi imidlertid også polymerer med intrinsisk elektrisk ledningsevne, og plast er på vej ind i anvendelser, der tidligereudelukkende var baseret på metaller og uorganiske...... halvledere. Hertil kommer, at en del af de ledende polymerer kan stimuleres til at skifte mellem en ledende og en halvledende tilstand, hvorved de ændret både form og farve. I foredraget gives der enrække eksempler på anvendelse af polymerer som elektriske komponenter - rækkende fra polymer elektronik over...

THE SPITZER SURVEY OF STELLAR STRUCTURE IN GALAXIES (S4G): MULTI-COMPONENT DECOMPOSITION STRATEGIES AND DATA RELEASE

International Nuclear Information System (INIS)

Salo, Heikki; Laurikainen, Eija; Laine, Jarkko; Comerón, Sebastien; Gadotti, Dimitri A.; Kim, Taehyun; Buta, Ron; Sheth, Kartik; Muñoz-Mateos, Juan Carlos; Zaritsky, Dennis; Hinz, Joannah L.; Ho, Luis; Knapen, Johan; Cisternas, Mauricio; Athanassoula, E.; Bosma, Albert; Laine, Seppo; Regan, Michael; De Paz, Armando Gil; Menendez-Delmestre, Karin

2015-01-01

The Spitzer Survey of Stellar Structure in Galaxies (S 4 G) is a deep 3.6 and 4.5 μm imaging survey of 2352 nearby (<40 Mpc) galaxies. We describe the S 4 G data analysis pipeline 4, which is dedicated to two-dimensional structural surface brightness decompositions of 3.6 μm images, using GALFIT3.0. Besides automatic 1-component Sérsic fits, and 2-component Sérsic bulge + exponential disk fits, we present human-supervised multi-component decompositions, which include, when judged appropriate, a central point source, bulge, disk, and bar components. Comparison of the fitted parameters indicates that multi-component models are needed to obtain reliable estimates for the bulge Sérsic index and bulge-to-total light ratio (B/T), confirming earlier results. Here, we describe the preparations of input data done for decompositions, give examples of our decomposition strategy, and describe the data products released via IRSA and via our web page (www.oulu.fi/astronomy/S4G-PIPELINE4/MAIN). These products include all the input data and decomposition files in electronic form, making it easy to extend the decompositions to suit specific science purposes. We also provide our IDL-based visualization tools (GALFIDL) developed for displaying/running GALFIT-decompositions, as well as our mask editing procedure (MASK-EDIT) used in data preparation. A detailed analysis of the bulge, disk, and bar parameters derived from multi-component decompositions will be published separately

Solid-State Polymerization of Poly(ethylene furanoate Biobased Polyester, I: Effect of Catalyst Type on Molecular Weight Increase

Directory of Open Access Journals (Sweden)

Nejib Kasmi

2017-11-01

Full Text Available In this work, we report the synthesis of poly(ethylene furanoate (PEF, catalyzed by three different catalysts, namely, titanium (IV isopropoxide (TIS, tetrabutyltitanate (TBT, and dibutyltin (IV oxide (DBTO, via the two-stage melt polycondensation method. Solid-state polymerization (SSP was conducted at different reaction times (1, 2, 3.5, and 5 h and temperatures 190, 200, and 205 °C, under vacuum. The resultant polymers were analyzed according to their intrinsic viscosity (IV, end groups (–COOH, and thermal properties, via differential scanning calorimetry. DSC results showed that the post polymerization process was favorable to enhance the melting point of the prepared PEF samples. As was expected, the intrinsic viscosity and the average molecular weight of PEF increased with the SSP time and temperature, whereas the number of carboxyl end-groups was decreased. A simple kinetic model was also developed and used to predict the time evolution of polymers IV, as well as the carboxyl and hydroxyl content of PEF during the SSP. From both the experimental measurements and the theoretical simulation results it was proved that the presence of the TIS catalyst resulted in higher transesterification kinetic rate constants and higher reaction rates. The activation energies were not much affected by the presence of different catalysts. Finally, using DBTO as a catalyst, the polyesters produced have higher crystallinity, and as a consequence, higher number of inactive carboxyl and hydroxyl groups.

3D Printing Multi-Functionality: Embedded RF Antennas and Components

Science.gov (United States)

Shemelya, C. M.; Zemba, M.; Liang, M.; Espalin, D.; Kief, C.; Xin, H.; Wicker, R. B.; MacDonald, E. W.

2015-01-01

Significant research and press has recently focused on the fabrication freedom of Additive Manufacturing (AM) to create both conceptual models and final end-use products. This flexibility allows design modifications to be immediately reflected in 3D printed structures, creating new paradigms within the manufacturing process. 3D printed products will inevitably be fabricated locally, with unit-level customization, optimized to unique mission requirements. However, for the technology to be universally adopted, the processes must be enhanced to incorporate additional technologies; such as electronics, actuation, and electromagnetics. Recently, a novel 3D printing platform, Multi3D manufacturing, was funded by the presidential initiative for revitalizing manufacturing in the USA using 3D printing (America Makes - also known as the National Additive Manufacturing Innovation Institute). The Multi3D system specifically targets 3D printed electronics in arbitrary form; and building upon the potential of this system, this paper describes RF antennas and components fabricated through the integration of material extrusion 3D printing with embedded wire, mesh, and RF elements.

Image-guided and passively tumour-targeted polymeric nanomedicines for radiochemotherapy

Czech Academy of Sciences Publication Activity Database

Lammers, T.; Šubr, Vladimír; Peschke, P.; Kühnlein, R.; Hennink, W. E.; Ulbrich, Karel; Kiessling, F.; Heilmann, M.; Debus, J.; Huber, P. E.; Storm, G.

2008-01-01

Roč. 99, č. 6 (2008), s. 900-910 ISSN 0007-0920 R&D Projects: GA MŠk 1M0505 Institutional research plan: CEZ:AV0Z40500505 Keywords : tumors * polymeric drugs * chemotherapy Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 4.846, year: 2008

Component analysis and heavy metal adsorption ability of extracellular polymeric substances (EPS) from sulfate reducing bacteria.

Science.gov (United States)

Yue, Zheng-Bo; Li, Qing; Li, Chuan-chuan; Chen, Tian-hu; Wang, Jin

2015-10-01

Extracellular polymeric substances (EPS) play an important role in the treatment of acid mine drainage (AMD) by sulfate-reducing bacteria (SRB). In this paper, Desulfovibrio desulfuricans was used as the test strain to explore the effect of heavy metals on the components and adsorption ability of EPS. Fourier-transform infrared (FTIR) spectroscopy analysis results showed that heavy metals did not influence the type of functional groups of EPS. Potentiometric titration results indicated that the acidic constants (pKa) of the EPS fell into three ranges of 3.5-4.0, 5.9-6.7, and 8.9-9.8. The adsorption site concentrations of the surface functional groups also increased. Adsorption results suggested that EPS had a specific binding affinity for the dosed heavy metal, and that EPS extracted from the Zn(2+)-dosed system had a higher binding affinity for all heavy metals. Additionally, Zn(2+) decreased the inhibitory effects of Cd(2+) and Cu(2+) on the SRB. Copyright © 2015 Elsevier Ltd. All rights reserved.

Nanoparticle-Supported Molecular Polymerization Catalysts

OpenAIRE

Amgoune, Abderramane; Krumova, Marina; Mecking, Stefan

2008-01-01

Homogeneous molecular catalysts are immobilzed in a well-defined fashion on individual silica nanoparticles with a narrow particle size distribution by covalent attachment. This synthetic methodology is demonstrated with modified salicylaldiminato-substituted titanium(IV) complexes incorporating a trimethoxysilane-terminated linker: dichloro-bis[κ2-N,O-6-(3-(trimethoxysilyl)propoxyphenylimino)-2-tert-butyl-phenolato]titanium(IV) (3) and dichlorobis[κ2-N,O-6-(4-(trimethoxysilyl)propoxy-2,3,5,6...

From supramolecular electrochemistry to molecular-level devices

Energy Technology Data Exchange (ETDEWEB)

Credi, Alberto; Ferrer Ribera, Belen; Venturi, Margherita

2004-09-15

Supramolecular (multi-component) systems can perform complex functions which result from the cooperation of actions performed by suitably selected molecular components. Looking at supramolecular systems, from the viewpoint of the functions, shows that the concept of macroscopic device can be extended to molecular level. Nature exploits very complex molecular-level devices to substain life, and, in the last twenty years, the development of supramolecular chemistry has allowed the construction of simple molecular-level devices, that are of interest not only for basic research, but also for the growth of nanoscience and nanotechnology. Molecular-level devices operate via electronic and/or nuclear rearrangements, and like macroscopic devices, they need energy to operate and signals to communicate with the operator. Electrochemistry can provide the answer to this dual requirement, since electrons/holes, besides supplying the energy needed to make a devices work, can also be useful to 'read' the state of the system and thus to control and monitor the operation of the device. In this article, some examples of molecular-level devices investigated in our laboratory will be reviewed.

Silicon and aluminum doping effects on the microstructure and properties of polymeric amorphous carbon films

Energy Technology Data Exchange (ETDEWEB)

Liu, Xiaoqiang, E-mail: lxq_suse@sina.com [Material Corrosion and Protection Key Laboratory of Sichuan province, Sichuan University of Science and Engineering, Zigong 643000 (China); Hao, Junying, E-mail: jyhao@licp.cas.cn [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Xie, Yuntao [Material Corrosion and Protection Key Laboratory of Sichuan province, Sichuan University of Science and Engineering, Zigong 643000 (China)

2016-08-30

Highlights: • Evolution of nanostructure and properties of the polymeric amorphous carbon films were firstly studied. • Si doping enhanced polymerization of the hydrocarbon chains and Al doping resulted in increase in the ordered carbon clusters of polymeric amorphous carbon films. • Soft polymeric amorphous carbon films exhibited an unconventional frictional behaviors with a superior wear resistance. • The mechanical and vacuum tribological properties of the polymeric amorphous carbon films were significantly improved by Si and Al co-doping. - Abstract: Polymeric amorphous carbon films were prepared by radio frequency (R.F. 13.56 MHz) magnetron sputtering deposition. The microstructure evolution of the deposited polymeric films induced by silicon (Si) and aluminum(Al) doping were scrutinized through infrared spectroscopy, multi-wavelength Raman spectroscopy, scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM). The comparative results show that Si doping can enhance polymerization and Al doping results in an increase in the ordered carbon clusters. Si and Al co-doping into polymeric films leads to the formation of an unusual dual nanostructure consisting of cross-linked polymer-like hydrocarbon chains and fullerene-like carbon clusters. The super-high elasticity and super-low friction coefficients (<0.002) under a high vacuum were obtained through Si and Al co-doping into the films. Unconventionally, the co-doped polymeric films exhibited a superior wear resistance even though they were very soft. The relationship between the microstructure and properties of the polymeric amorphous carbon films with different elements doping are also discussed in detail.

Highly active self-immobilized FI-Zr catalysts in a PCP framework for ethylene polymerization.

Science.gov (United States)

Li, He; Xu, Bo; He, Jianghao; Liu, Xiaoming; Gao, Wei; Mu, Ying

2015-12-04

A series of zirconium-based porous coordination polymers (PCPs) containing FI catalysts in the frameworks have been developed and studied as catalysts for ethylene polymerization. These PCPs exhibit good catalytic activities and long life times, producing polyethylenes with high molecular weights and bimodal molecular weight distribution in the form of particles.

Oriented polymers obtained by UV polymerization of oriented low-molecular-weight species

NARCIS (Netherlands)

Broer, D.J.; Mol, G.N.; Bowden, M.J.; Turner, S.R.

1987-01-01

Anisotropic polymer filaments could be produced by in-situ photopolymerization of oriented acrylate monomers. Ordering of the monomers was achieved by an elongational flow prior to the polymerization process. The produced polymers showed a high elastic modulus and a low thermal expansion coefficient

Aquaporin-Based Biomimetic Polymeric Membranes: Approaches and Challenges

DEFF Research Database (Denmark)

Habel, Joachim Erich Otto; Hansen, Michael; Kynde, Søren

2015-01-01

In recent years, aquaporin biomimetic membranes (ABMs) for water separation have gained considerable interest. Although the first ABMs are commercially available, there are still many challenges associated with further ABM development. Here, we discuss the interplay of the main components of ABMs...... thin film interfacial polymerization techniques. Finally, we describe some new developments in interfacial polymerization using polyhedral oligomeric silsesquioxane cages for increasing the physical and chemical durability of thin film composite membranes.......In recent years, aquaporin biomimetic membranes (ABMs) for water separation have gained considerable interest. Although the first ABMs are commercially available, there are still many challenges associated with further ABM development. Here, we discuss the interplay of the main components of ABMs...... for investigating AQP incorporation including freeze-fracture transmission electron microscopy, fluorescence correlation spectroscopy, stopped-flow light scattering, and small-angle X-ray scattering. Third, we focus on recent efforts in embedding reconstituted AQPs in membrane designs that are based on conventional...

Solubilization of poorly soluble photosensitizer hypericin by polymeric micelles and polyethylene glycol.

Science.gov (United States)

Búzová, Diana; Kasák, Peter; Miškovský, Pavol; Jancura, Daniel

2013-06-01

Hypericin (Hyp) is a promising photosensitizer for photodiagnostic and photodynamic therapy of cancer. However, Hyp has a large conjugated system and in aqueous solutions forms insoluble aggregates which do not possess biological activity. This makes intravenous injection of Hyp problematic and restricts its medical applications. To overcome this problem, Hyp is incorporated into drug delivery systems which can increase its solubility and bioavailability. One of the possibilities is utilization of polymeric micelles. The most used hydrophilic block for preparation of polymeric micelles is polyethylen glycol (PEG). PEG is a polymer which for its lack of immunogenicity, antigenicity and toxicity obtained approval for use in human medicine. In this work we have studied the solubilization of Hyp aggregates in the presence of PEG-PE and PEG-cholesterol micelles. The concentration of polymeric micelles which allows total monomerization of Hyp corresponds to the critical micellar concentration of these micelles (~10(-6) M). We have also investigated the effect of the molecular weight and concentration of PEG on the transition of aggregated Hyp to its monomeric form. PEGs with low molecular weight ( 2000 g/mol efficiently transform Hyp aggregates to the monomeric state of this photosensitizer.

High performance nature of biodegradable polymeric nanocomposites for oil-well drilling fluids

Directory of Open Access Journals (Sweden)

Tarek M. Madkour

2016-06-01

Full Text Available Multi-walled carbon nanotube (MWCNT and graphene nanoplatelet reinforced thermoplastic poly(lactic acid (PLA biodegradable nanocomposites were designed and prepared using solution casting techniques. The prepared biodegradable polymers are expected to provide an environmentally friendly alternative to petroleum-based polymers. Both nanocomposite systems exhibited better thermal stability and improved mechanical performance over the unreinforced polymer exhibiting excellent strength and degradability. The addition of graphene nanofiller in varied amounts was aimed to enhance the thermal and mechanical properties of the nanocomposites even further and incorporate the outstanding characteristics of graphene nanoplatelets into the nanocomposites. The polymeric nanocomposites showed also superior advantages for oil drilling relevances, automotive lubricating purposes, membrane technology and food packaging. Scanning electron microscopy images indicated a homogeneous dispersion of the nanofiller within the polymeric matrix at low filler loadings and a cluster formation at higher loadings that could be responsible for the polymeric matrix movement restrictions. The enthalpy of mixing (the polymer and the nanofiller measured could explain the cause of the repulsive interactions between the nanoparticles and the polymeric chains, which created an additional excluded volume that the polymeric segments were restricted to occupy, thus forcing the conformational characteristics of the polymeric chains to deviate away from those of the bulk chains. The prepared polymeric nano composites (poly lactic acid carbon nano tube and poly lactic acid graphene nanoplatelets were utilized in the formulation of oil-base mud as a viscosifier. The rheological, filtration properties and electrical stability of the oil based mud formulation with the new polymeric nanocomposite were studied and the result compared to the oil-based mud formulation with commercial viscosifier.

Compatibility between dental adhesive systems and dual-polymerizing composite resins.

Science.gov (United States)

Michaud, Pierre-Luc; MacKenzie, Alexandra

2016-10-01

Information is lacking about incompatibilities between certain types of adhesive systems and dual-polymerizing composite resins, and universal adhesives have yet to be tested with these resins. The purpose of this in vitro study was to investigate the bonding outcome of dual-polymerizing foundation composite resins by using different categories of adhesive solutions and to determine whether incompatibilities were present. One hundred and eighty caries-free, extracted third molar teeth were allocated to 9 groups (n=20), in which 3 different bonding agents (Single Bond Plus [SB]), Scotchbond Multi-purpose [MP], and Scotchbond Universal [SU]) were used to bond 3 different composite resins (CompCore AF [CC], Core Paste XP [CP], and Filtek Supreme Ultra [FS]). After restorations had been fabricated using an Ultradent device, the specimens were stored in water at 37°C for 24 hours. The specimens were tested under shear force at a rate of 0.5 mm/min. The data were analyzed with Kruskal-Wallis tests and post hoc pairwise comparisons (α=.05). All 3 composite resins produced comparable shear bond strengths when used with MP (P=.076). However, when either SB or SU was used, the light-polymerized composite resin (FS) and 1 dual-polymerized foundation composite resin (CC) bonded significantly better than the other dual-polymerized foundation composite resin (CP) (Pincompatibilities exist between different products. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Reversible addition-fragmentation chain transfer polymerization of 2-chloro-1,3-butadiene

OpenAIRE

Pullan, Nikki; Liu, Max; Topham, Paul D.

2013-01-01

Controlled polymerization of 2-chloro-1,3-butadiene using reversible addition–fragmentation chain transfer (RAFT) polymerization has been demonstrated for the first time. 2-Chloro-1,3-butadiene, more commonly known as chloroprene, has significant industrial relevance as a crosslinked rubber, with uses ranging from adhesives to integral automotive components. However, problems surrounding the inherent toxicity of the lifecycle of the thiourea-vulcanized rubber have led to the need for control ...

Investigation on the micro injection molding process of an overmolded multi-material micro component

DEFF Research Database (Denmark)

Baruffi, Federico; Calaon, Matteo; Tosello, Guido

and difficult assembly steps, being the plastic molded directly on a metal substrate. In this scenario, an investigation on the fully automated micro overmolding manufacturing technology of a three-material micro component for acoustic applications has been carried out. Preliminary experiments allowed......Micro injection molding (μIM) is one of the few technologies capable of meeting the increasing demand of complex shaped micro plastic parts. This process, combined with the overmolding technique, allows a fast and cost-efficient production of multi-material micro components, saving numerous...

Molecularly Imprinted Microrods via Mesophase Polymerization

Directory of Open Access Journals (Sweden)

Ortensia Ilaria Parisi

2017-12-01

Full Text Available The aim of the present research work was the synthesis of molecularly imprinted polymers (MIPs with a rod-like geometry via “mesophase polymerization”. The ternary lyotropic system consisting of sodium dodecyl sulfate (SDS, water, and decanol was chosen to prepare a hexagonal mesophase to direct the morphology of the synthesized imprinted polymers using theophylline, methacrylic acid, and ethylene glycol dimethacrylate as a drug model template, a functional monomer, and a crosslinker, respectively. The obtained molecularly imprinted microrods (MIMs were assessed by performing binding experiments and in vitro release studies, and the obtained results highlighted good selective recognition abilities and sustained release properties. In conclusion, the adopted synthetic strategy involving a lyotropic mesophase system allows for the preparation of effective MIPs characterized by a rod-like morphology.

Living Polycondensation: Synthesis of Well-Defined Aromatic Polyamide-Based Polymeric Materials

KAUST Repository

Alyami, Mram Z.

2016-11-01

Chain growth condensation polymerization is a powerful tool towards the synthesis of well-defined polyamides. This thesis focuses on one hand, on the synthesis of well-defined aromatic polyamides with different aminoalkyl pendant groups with low polydispersity and controlled molecular weights, and on the other hand, on studying their thermal properties. In the first project, well-defined poly (N-octyl-p-aminobenzoate) and poly (N-butyl-p-aminobenzoate) were synthesized, and for the first time, their thermal properties were studied. In the second project, ethyl4-aminobenzoate, ethyl 4-octyl aminobenzoate and 4-(hydroxymethyl) benzoic acid were used as novel efficient initiators of ε-caprolactone with t-BuP2 as a catalyst. Macroinitiator and Macromonomer of poly (ε-caprolactone) were synthesized with ethyl 4-octyl aminobenzoate and ethyl 4-aminobenzoate as initiators to afford polyamide-block-poly (ε-caprolactone) and polyamide-graft-poly (ε-caprolactone) by chain growth condensation polymerization (CGCP). In the third project, a new study has been done on chain growth condensation polymerization to discover the probability to synthesize new polymers and studied their thermal properties. For this purpose, poly (N-cyclohexyl-p-aminobenzoate) and poly (N-hexyl-p-aminobenzoate) were synthesized with low polydispersity and controlled molecular weights.

Radiation-induced polymerization monitored in situ by time-resolved fluorescence of probe molecules in methyl methacrylate

International Nuclear Information System (INIS)

Frahn, Mark S.; Abellon, Ruben D.; Luthjens, Leonard H.; Vermeulen, Martien J.W.; Warman, John M.

2003-01-01

A technique is presented for monitoring radiation-induced polymerizations in situ based on the measurement of the fluorescence lifetime of molecular probes dissolved in the polymerizing medium. This method is illustrated with results on methyl methacrylate (MMA) using two fluorogenic probe molecules; N-(2-anthracene)methacrylamide (AnMA) and maleimido-fluoroprobe (MFP), a molecule which has a highly dipolar excited state

Monte Carlo simulation on kinetics of batch and semi-batch free radical polymerization

KAUST Repository

Shao, Jing; Tang, Wei; Xia, Ru; Feng, Xiaoshuang; Chen, Peng; Qian, Jiasheng; Song, Changjiang

2015-01-01

experimental and simulation studies, we showed the capability of our Monte Carlo scheme on representing polymerization kinetics in batch and semi-batch processes. Various kinetics information, such as instant monomer conversion, molecular weight

A condition-based maintenance policy for multi-component systems with a high maintenance setup cost

NARCIS (Netherlands)

Zhu, Q.; Peng, H.; Houtum, van G.J.J.A.N.

2015-01-01

Condition-based maintenance (CBM) is becoming increasingly important due to the development of advanced sensor and information technology, which facilitates the remote collection of condition data. We propose a new CBM policy for multi-component systems with continuous stochastic deteriorations. To

Multi-component controllers in reactor physics optimality analysis

International Nuclear Information System (INIS)

Aldemir, T.

1978-01-01

An algorithm is developed for the optimality analysis of thermal reactor assemblies with multi-component control vectors. The neutronics of the system under consideration is assumed to be described by the two-group diffusion equations and constraints are imposed upon the state and control variables. It is shown that if the problem is such that the differential and algebraic equations describing the system can be cast into a linear form via a change of variables, the optimal control components are piecewise constant functions and the global optimal controller can be determined by investigating the properties of the influence functions. Two specific problems are solved utilizing this approach. A thermal reactor consisting of fuel, burnable poison and moderator is found to yield maximal power when the assembly consists of two poison zones and the power density is constant throughout the assembly. It is shown that certain variational relations have to be considered to maintain the activeness of the system equations as differential constraints. The problem of determining the maximum initial breeding ratio for a thermal reactor is solved by treating the fertile and fissile material absorption densities as controllers. The optimal core configurations are found to consist of three fuel zones for a bare assembly and two fuel zones for a reflected assembly. The optimum fissile material density is determined to be inversely proportional to the thermal flux

Phase Equilibrium Calculations for Multi-Component Polar Fluid Mixtures with tPC-PSAFT

DEFF Research Database (Denmark)

Karakatsani, Eirini; Economou, Ioannis

2007-01-01

The truncated Perturbed-Chain Polar Statistical Associating Fluid Theory (tPC-PSAFT) is applied to a number of different mixtures, including binary, ternary and quaternary mixtures of components that differ substantially in terms of intermolecular interactions and molecular size. In contrast to m...

Polymerization of 5-alkyl δ-lactones catalyzed by diphenyl phosphate and their sequential organocatalytic polymerization with monosubstituted epoxides

KAUST Repository

Zhao, Junpeng

2015-02-04

Organocatalytic ring-opening polymerization (ROP) reactions of three renewable 5-alkyl δ-lactones, namely δ-hexalactone (HL), δ-nonalactone (NL) and δ-decalactone (DL), using diphenyl phosphate (DPP) were investigated. Room temperature, together with a relatively high monomer concentration (≥3 M), was demonstrated to be suitable for achieving a living ROP behavior, a high conversion of the lactone, a controlled molecular weight and a low dispersity of the polyester. HL, containing a 5-methyl substituent, showed a much higher reactivity (polymerization rate) and a slightly higher equilibrium conversion than the compounds with longer alkyl substituents (NL and DL). The effectiveness of DPP-catalyzed ROP of 5-alkyl δ-lactones facilitated the one-pot performance following the t-BuP4-promoted ROP of monosubstituted epoxides. It has been shown in an earlier study that substituted polyethers acted as "slow initiators" for non-substituted lactones. However, efficient initiations were observed in the present study as substituted lactones were polymerized from the substituted polyethers. Therefore, this reinforces the previously developed "catalyst switch" strategy, making it a more versatile tool for the synthesis of well-defined polyether-polyester block copolymers from a large variety of epoxide and lactone monomers. © The Royal Society of Chemistry 2015.

An elementary components of variance analysis for multi-center quality control

International Nuclear Information System (INIS)

Munson, P.J.; Rodbard, D.

1977-01-01

The serious variability of RIA results from different laboratories indicates the need for multi-laboratory collaborative quality control (QC) studies. Statistical analysis methods for such studies using an 'analysis of variance with components of variance estimation' are discussed. This technique allocates the total variance into components corresponding to between-laboratory, between-assay, and residual or within-assay variability. Components of variance analysis also provides an intelligent way to combine the results of several QC samples run at different evels, from which we may decide if any component varies systematically with dose level; if not, pooling of estimates becomes possible. We consider several possible relationships of standard deviation to the laboratory mean. Each relationship corresponds to an underlying statistical model, and an appropriate analysis technique. Tests for homogeneity of variance may be used to determine if an appropriate model has been chosen, although the exact functional relationship of standard deviation to lab mean may be difficult to establish. Appropriate graphical display of the data aids in visual understanding of the data. A plot of the ranked standard deviation vs. ranked laboratory mean is a convenient way to summarize a QC study. This plot also allows determination of the rank correlation, which indicates a net relationship of variance to laboratory mean. (orig.) [de

Molecular dynamics studies of crystalline nucleation in one-component Yukawa plasmas

International Nuclear Information System (INIS)

Ravelo, R.; Hammerberg, J.E.; Holian, B.L.

1992-01-01

We report on molecular dynamics studies of one-component Yukawa plasmas undergoing rapid quenches from a fluid state with a Coulomb parameter Γ = 40 to solid states in the range 350 < Γ < 800. The detailed dynamical structure of ordering appears more complicated than results from classical theories of nucleation, with planar formation being observed before fully 3-dimensional ordering appears

Effect of γ-ray irradiation on polystyrene, poly (methyl methacrylate), and their copolymer prepared by cast polymerization

International Nuclear Information System (INIS)

Tsukame, Takahiro; Kutsuzawa, Michio; Saitoh, Hideki; Shibasaki, Yoshio

1998-01-01

Effect of γ-ray irradiation on polystyrene (PS), poly(methyl methacrylate) (PMMA), and their copolymer prepared by cast polymerization was studied using size exclusion chromatography. The main chemical reactions in irradiated polymers were crosslinking and scission. Conversion of all irradiated samples increased regardless of the concentration of initiator (AIBN) used for cast polymerization. On γ-ray irradiation, the molecular weight of PS increased and its distribution broadened, whereas the molecular weight of PMMA decreased. These phenomena should be attributable to the competitive occurrence of scission and crosslinking in PS by γ-ray irradiation, whereas scission occurred mainly in PMMA. (author)

A multi-component reaction towards the development of highly modular hydrogelators.

Science.gov (United States)

Sundén, Henrik; Sauvée, Claire; Haukka, Matti; Stöm, Anna

2018-04-16

Herein we report a multi-component reaction approach for the development of a new class of hydrogelators based on the OxoTriphenylHexanOate (OTHO) backbone. A focused library of OTHOs has been synthesized and their hydrogelation features evaluated. The two most potent hydrogelators were studied by rheology revealing different gel strengths, appearances and thixotropic behaviours. The new gelators showcase the versatility of the OTHO backbone as a platform for the design of functionalized hydrogels with tunable gel properties. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Further developments and field deployment of phosphorus functionalized polymeric scale inhibitors

Energy Technology Data Exchange (ETDEWEB)

Todd, Malcolm J.; Thornton, Alex R.; Wylde, Jonathan J.; Strachan, Catherine J.; Moir, Gordon [Clariant Oil Services, Muttenz (Switzerland); Goulding, John [John Goulding Consultancy, York (United Kingdom)

2012-07-01

monomer distribution, it was important to gauge this effect in reservoir analogues. A reservoir rock will act as a large chromatography column, separating out the scale inhibitor according to molecular weight and phosphorus content. That is the larger molecular weights will adhere more strongly than lower molecular weight fractions, whereas polymer chains containing larger phosphorus functionality will adhere to the rock significantly stronger than those without. Thus it is important to understand if there were components containing phosphorus but did not contribute to the inhibition of scale. In order to study these effects the phosphorus functionalized polymers were tested on very clean sandstone core plugs in a core flood rig. Their adsorption/retention characteristics were studied. The scale inhibitor effluent was analyzed by numerous methods and confirmed by inhibition efficiency measurements. Following successful development, one of the phosphorus functionalized polymeric inhibitors was subject to sequential field-trial in a harsh BaSO{sub 4} scaling, highly naturally fractured North Sea carbonate reservoir. As this was the first deployment of this novel technology the scale inhibitor returns and water chemistry were monitored using a number of methods to assess the efficiency of the inhibitor at mitigating the BaSO{sub 4} risk. A number of previous technologies utilizing phosphorus tagging have resulted in false readings due to anomalous phosphorus signals. The results presented in this paper show a step change with the scale inhibitor analysis by both elemental phosphorus (ICP-OES) and polymer methods (cartridge/Hyamine) showing excellent correlation. Indirect analysis of the scale inhibitor performance by elemental Ba{sup 2+} measurement confirmed the results, as there was no drop in Ba{sup 2+} concentration indicating no significant scaling before the re-squeeze operation was conducted. The phosphorus functionalized inhibitor provided superior performance

Effects of a multi-component camp-based intervention on inflammatory markers and adipokines in children

DEFF Research Database (Denmark)

Huang, T.; Larsen, K. T.; Moller, N. C.

2015-01-01

Objective. To examine the effects of a multi-component camp-based intervention on inflammatory markers and adipokines in children. Methods. One hundred and fifteen children were recruited in Odense, Denmark (2012-2014). The participants were randomly allocated to either the day camp intervention ...

Thermodynamically consistent modeling and simulation of multi-component two-phase flow model with partial miscibility

KAUST Repository

Kou, Jisheng; Sun, Shuyu

2016-01-01

A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is a latest

New approaches to the modelling of multi-component fuel droplet heating and evaporation

KAUST Repository

Sazhin, Sergei S

2015-02-25

The previously suggested quasi-discrete model for heating and evaporation of complex multi-component hydrocarbon fuel droplets is described. The dependence of density, viscosity, heat capacity and thermal conductivity of liquid components on carbon numbers n and temperatures is taken into account. The effects of temperature gradient and quasi-component diffusion inside droplets are taken into account. The analysis is based on the Effective Thermal Conductivity/Effective Diffusivity (ETC/ED) model. This model is applied to the analysis of Diesel and gasoline fuel droplet heating and evaporation. The components with relatively close n are replaced by quasi-components with properties calculated as average properties of the a priori defined groups of actual components. Thus the analysis of the heating and evaporation of droplets consisting of many components is replaced with the analysis of the heating and evaporation of droplets consisting of relatively few quasi-components. It is demonstrated that for Diesel and gasoline fuel droplets the predictions of the model based on five quasi-components are almost indistinguishable from the predictions of the model based on twenty quasi-components for Diesel fuel droplets and are very close to the predictions of the model based on thirteen quasi-components for gasoline fuel droplets. It is recommended that in the cases of both Diesel and gasoline spray combustion modelling, the analysis of droplet heating and evaporation is based on as little as five quasi-components.

Molecular Imprinting Techniques Used for the Preparation of Biosensors

Directory of Open Access Journals (Sweden)

Gizem Ertürk

2017-02-01

Full Text Available Molecular imprinting is the technology of creating artificial recognition sites in polymeric matrices which are complementary to the template in their size, shape and spatial arrangement of the functional groups. Molecularly imprinted polymers (MIPs and their incorporation with various transducer platforms are among the most promising approaches for detection of several analytes. There are a variety of molecular imprinting techniques used for the preparation of biomimetic sensors including bulk imprinting, surface imprinting (soft lithography, template immobilization, grafting, emulsion polymerization and epitope imprinting. This chapter presents an overview of all of these techniques with examples from particular publications.

UNRAVELLING THE COMPONENTS OF A MULTI-THERMAL CORONAL LOOP USING MAGNETOHYDRODYNAMIC SEISMOLOGY

Energy Technology Data Exchange (ETDEWEB)

Prasad, S. Krishna; Jess, D. B. [Astrophysics Research Centre, School of Mathematics and Physics, Queen’s University Belfast, Belfast, BT7 1NN (United Kingdom); Klimchuk, J. A. [Heliophysics Division, NASA Goddard Space Flight Center, Greenbelt, MD, 20771 (United States); Banerjee, D., E-mail: krishna.prasad@qub.ac.uk [Indian Institute of Astrophysics, II Block Koramangala, Bengaluru 560034 (India)

2017-01-10

Coronal loops, constituting the basic building blocks of the active Sun, serve as primary targets to help understand the mechanisms responsible for maintaining multi-million Kelvin temperatures in the solar and stellar coronae. Despite significant advances in observations and theory, our knowledge on the fundamental properties of these structures is limited. Here, we present unprecedented observations of accelerating slow magnetoacoustic waves along a coronal loop that show differential propagation speeds in two distinct temperature channels, revealing the multi-stranded and multithermal nature of the loop. Utilizing the observed speeds and employing nonlinear force-free magnetic field extrapolations, we derive the actual temperature variation along the loop in both channels, and thus are able to resolve two individual components of the multithermal loop for the first time. The obtained positive temperature gradients indicate uniform heating along the loop, rather than isolated footpoint heating.

About the activity and selectivity of less well-known metathesis catalysts during ADMET polymerizations

Directory of Open Access Journals (Sweden)

Hatice Mutlu

2010-12-01

Full Text Available We report on the catalytic activity of commercially available Ru-indenylidene and “boomerang” complexes C1, C2 and C3 in acyclic diene metathesis (ADMET polymerization of a fully renewable α,ω-diene. A high activity of these catalysts was observed for the synthesis of the desired renewable polyesters with molecular weights of up to 17000 Da, which is considerably higher than molecular weights obtained using the same monomer with previously studied catalysts. Moreover, olefin isomerization side reactions that occur during the ADMET polymerizations were studied in detail. The isomerization reactions were investigated by degradation of the prepared polyesters via transesterification with methanol, yielding diesters. These diesters, representing the repeat units of the polyesters, were then quantified by GC-MS.

Neutral Polymeric Micelles for RNA Delivery

Science.gov (United States)

Lundy, Brittany B.; Convertine, Anthony; Miteva, Martina; Stayton, Patrick S.

2013-01-01

RNA interference (RNAi) drugs have significant therapeutic potential but delivery systems with appropriate efficacy and toxicity profiles are still needed. Here, we describe a neutral, ampholytic polymeric delivery system based on conjugatable diblock polymer micelles. The diblock copolymer contains a hydrophilic poly[N-(2-hydroxypropyl) methacrylamide-co-N-(2-(pyridin-2- yldisulfanyl)ethyl)methacrylamide) (poly[HPMA-co-PDSMA]) segment to promote aqueous stability and facilitate thiol-disulfide exchange reactions, and a second ampholytic block composed of propyl acrylic acid (PAA), dimethylaminoethyl methacrylate (DMAEMA), and butyl methacrylate (BMA). The poly[(HPMA-co-PDSMA)-b-(PAA-co-DMAEMA-co-BMA)] was synthesized using Reversible Addition-Fragmentation chain Transfer (RAFT) polymerization with an overall molecular weight of 22,000 g/mol and a PDI of 1.88. Dynamic light scattering and fluorescence measurements indicated that the diblock copolymers self-assemble under aqueous conditions to form polymeric micelles with a hydrodynamic radius and critical micelle concentration of 25 nm and 25 μg/mL respectively. Red blood cell hemolysis experiments show that the neutral hydrophilic micelles have potent membrane destabilizing activity at endosomal pH values. Thiolated siRNA targeting glyceraldehyde 3-phosphate dehydrogenase (GAPDH) was directly conjugated to the polymeric micelles via thiol exchange reactions with the pyridal disulfide groups present in the micelle corona. Maximum silencing activity in HeLa cells was observed at a 1:10 molar ratio of siRNA to polymer following a 48 h incubation period. Under these conditions 90 % mRNA knockdown and 65 % and protein knockdown of at 48 h was achieved with negligible toxicity. In contrast the polymeric micelles lacking a pH-responsive endosomalytic segment demonstrated negligible mRNA and protein knockdown under these conditions. The potent mRNA knockdown and excellent biocompatibility of the neutral siRNA conjugates

Spatially Extended and High-Velocity Dispersion Molecular Component in Spiral Galaxies: Single-Dish Versus Interferometric Observations

Science.gov (United States)

Caldú-Primo, Anahi; Schruba, Andreas; Walter, Fabian; Leroy, Adam; Bolatto, Alberto D.; Vogel, Stuart

2015-02-01

Recent studies of the molecular medium in nearby galaxies have provided mounting evidence that the molecular gas can exist in two phases: one that is clumpy and organized as molecular clouds and another one that is more diffuse. This last component has a higher velocity dispersion than the clumpy one. In order to investigate these two molecular components further, we compare the fluxes and line widths of CO in NGC 4736 and NGC 5055, two nearby spiral galaxies for which high-quality interferometric as well as single-dish data sets are available. Our analysis leads to two main results: (1) employing three different methods, we determine the flux recovery of the interferometer as compared to the single-dish to be within a range of 35%-74% for NGC 4736 and 81%-92% for NGC 5055, and (2) when focusing on high (S/N ≥ 5) lines of sight (LOSs), the single-dish line widths are larger by ˜(40 ± 20)% than the ones derived from interferometric data, which is in agreement with stacking all LOSs. These results point to a molecular gas component that is distributed over spatial scales larger than 30″(˜1 kpc), and is therefore filtered out by the interferometer. The available observations do not allow us to distinguish between a truly diffuse gas morphology and a uniform distribution of small clouds that are separated by less than the synthesized beam size (˜3″ or ˜100 pc), as they would both be invisible for the interferometer. This high velocity dispersion component has a dispersion similar to what is found in the atomic medium, as traced through observations of the H i line.

Effects of polymerization and nucleotide identity on the conformational dynamics of the bacterial actin homolog MreB.

Science.gov (United States)

Colavin, Alexandre; Hsin, Jen; Huang, Kerwyn Casey

2014-03-04

The assembly of protein filaments drives many cellular processes, from nucleoid segregation, growth, and division in single cells to muscle contraction in animals. In eukaryotes, shape and motility are regulated through cycles of polymerization and depolymerization of actin cytoskeletal networks. In bacteria, the actin homolog MreB forms filaments that coordinate the cell-wall synthesis machinery to regulate rod-shaped growth and contribute to cellular stiffness through unknown mechanisms. Like actin, MreB is an ATPase and requires ATP to polymerize, and polymerization promotes nucleotide hydrolysis. However, it is unclear whether other similarities exist between MreB and actin because the two proteins share low sequence identity and have distinct cellular roles. Here, we use all-atom molecular dynamics simulations to reveal surprising parallels between MreB and actin structural dynamics. We observe that MreB exhibits actin-like polymerization-dependent structural changes, wherein polymerization induces flattening of MreB subunits, which restructures the nucleotide-binding pocket to favor hydrolysis. MreB filaments exhibited nucleotide-dependent intersubunit bending, with hydrolyzed polymers favoring a straighter conformation. We use steered simulations to demonstrate a coupling between intersubunit bending and the degree of flattening of each subunit, suggesting cooperative bending along a filament. Taken together, our results provide molecular-scale insight into the diversity of structural states of MreB and the relationships among polymerization, hydrolysis, and filament properties, which may be applicable to other members of the broad actin family.

Orientation Mapping of Extruded Polymeric Composites by Polarized Micro-Raman Spectroscopy

Directory of Open Access Journals (Sweden)

Xiaoyun Chen

2015-01-01

Full Text Available Molecular orientation has a strong influence on polymeric composite materials’ mechanical properties. In this paper we describe the use of polarized micro-Raman spectroscopy as a powerful tool to map out the molecular orientation of a uniaxially oriented polypropylene- (PP- based composite material. Initial samples exhibited a high degree of surface fibrillation upon cutting. Raman spectroscopy was used to characterize the degree of orientation in the skin and guide the development of the posttreatment process to optimize the skin relaxation while maintaining the high degree of orientation in the rest of the board. The PP oriented polymer composite (OPC was oriented through an extrusion process and its surface was then treated to achieve relaxation. Micro-Raman analysis at the surface region demonstrated the surface orientation relaxation, and the results provide an effective way to correlate the extent of relaxation and process conditions. Larger scale orientation mapping was also carried out over the entire cross-section (12.7 cm × 2.54 cm. The results agree well with prior expectation of the molecular orientation based on the extrusion and subsequent quenching process. The methodologies described here can be readily applied to other polymeric systems.

THE SPITZER SURVEY OF STELLAR STRUCTURE IN GALAXIES (S{sup 4}G): MULTI-COMPONENT DECOMPOSITION STRATEGIES AND DATA RELEASE

Energy Technology Data Exchange (ETDEWEB)

Salo, Heikki; Laurikainen, Eija; Laine, Jarkko; Comerón, Sebastien [Astronomy and Space Physics, University of Oulu, FI-90014 (Finland); Gadotti, Dimitri A.; Kim, Taehyun [European Southern Observatory, Casilla 19001, Santiago 19 (Chile); Buta, Ron [Department of Physics and Astronomy, University of Alabama, Box 870324, Tuscaloosa, AL 35487 (United States); Sheth, Kartik; Muñoz-Mateos, Juan Carlos [National Radio Astronomy Observatory/NAASC, 520 Edgemont Road, Charlottesville, VA 22903 (United States); Zaritsky, Dennis; Hinz, Joannah L. [University of Arizona, 933 N. Cherry Ave, Tucson, AZ 85721 (United States); Ho, Luis [Kavli Institute for Astronomy and Astrophysics, Peking University, Beijing 100871 (China); Knapen, Johan; Cisternas, Mauricio [Instituto de Astrofísica de Canarias, E-38205 La Laguna (Spain); Athanassoula, E.; Bosma, Albert [Aix Marseille Universite, CNRS, LAM (Laboratoire d’Astrophysique de Marseille) UMR 7326, F-13388, Marseille (France); Laine, Seppo [Spitzer Science Center—Caltech, MS 314-6, Pasadena, CA 91125 (United States); Regan, Michael [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); De Paz, Armando Gil [Departamento de Astrofísica, Universidad Complutense de Madrid, Madrid E-28040 (Spain); Menendez-Delmestre, Karin [Observatorio do Valongo, Universidade Federal de Rio de Janeiro, Ladeira Pedro Antonio, 43, Saude CEP 20080-090, Rio de Janeiro—RJ (Brazil); and others

2015-07-20

The Spitzer Survey of Stellar Structure in Galaxies (S{sup 4}G) is a deep 3.6 and 4.5 μm imaging survey of 2352 nearby (<40 Mpc) galaxies. We describe the S{sup 4}G data analysis pipeline 4, which is dedicated to two-dimensional structural surface brightness decompositions of 3.6 μm images, using GALFIT3.0. Besides automatic 1-component Sérsic fits, and 2-component Sérsic bulge + exponential disk fits, we present human-supervised multi-component decompositions, which include, when judged appropriate, a central point source, bulge, disk, and bar components. Comparison of the fitted parameters indicates that multi-component models are needed to obtain reliable estimates for the bulge Sérsic index and bulge-to-total light ratio (B/T), confirming earlier results. Here, we describe the preparations of input data done for decompositions, give examples of our decomposition strategy, and describe the data products released via IRSA and via our web page (www.oulu.fi/astronomy/S4G-PIPELINE4/MAIN). These products include all the input data and decomposition files in electronic form, making it easy to extend the decompositions to suit specific science purposes. We also provide our IDL-based visualization tools (GALFIDL) developed for displaying/running GALFIT-decompositions, as well as our mask editing procedure (MASK-EDIT) used in data preparation. A detailed analysis of the bulge, disk, and bar parameters derived from multi-component decompositions will be published separately.

Examining multi-component DNA-templated nanostructures as imaging agents

Science.gov (United States)

Jaganathan, Hamsa

2011-12-01

Magnetic resonance imaging (MRI) is the leading non-invasive tool for disease imaging and diagnosis. Although MRI exhibits high spatial resolution for anatomical features, the contrast resolution is low. Imaging agents serve as an aid to distinguish different types of tissues within images. Gadolinium chelates, which are considered first generation designs, can be toxic to health, while ultra-small, superparamagnetic nanoparticles (NPs) have low tissue-targeting efficiency and rapid bio-distribution, resulting to an inadequate detection of the MRI signal and enhancement of image contrast. In order to improve the utility of MRI agents, the challenge in composition and structure needs to be addressed. One-dimensional (1D), superparamagnetic nanostructures have been reported to enhance magnetic and in vivo properties and therefore has a potential to improve contrast enhancement in MRI images. In this dissertation, the structure of 1D, multi-component NP chains, scaffolded on DNA, were pre-clinically examined as potential MRI agents. First, research was focused on characterizing and understanding the mechanism of proton relaxation for DNA-templated NP chains using nuclear magnetic resonance (NMR) spectrometry. Proton relaxation and transverse relaxivity were higher in multi-component NP chains compared to disperse NPs, indicating the arrangement of NPs on a 1D structure improved proton relaxation sensitivity. Second, in vitro evaluation for potential issues in toxicity and contrast efficiency in tissue environments using a 3 Tesla clinical MRI scanner was performed. Cell uptake of DNA-templated NP chains was enhanced after encapsulating the nanostructure with layers of polyelectrolytes and targeting ligands. Compared to dispersed NPs, DNA-templated NP chains improved MRI contrast in both the epithelial basement membrane and colon cancer tumors scaffolds. The last part of the project was focused on developing a novel MRI agent that detects changes in DNA methylation

Molecularly Imprinted Polymer Technology: A Powerful, Generic ...

African Journals Online (AJOL)

determined analyte (called template) in a polymeric matrix. The template directs the molecular positioning and orientation of the material's functional monomers. Cross-linking ensures polymer rigidity that “freezes” the 3-D molecular architecture of the ...

Improved Structural Design and CO₂ Capture of Porous Hydroxy-Rich Polymeric Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Kidder, Michelle K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Earl, Lyndsey D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); de Almeida, Valmor F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2016-04-16

Polymeric organic frameworks (POFs) are tunable and robust porous materials with potential applications for gas capture, catalysis, and separations technologies. A series of new porous POFs have been synthesized from the reaction of phloroglucinol or resorcinol derivatives with aryl aldehyde precursors. The monomers have various molecular shapes including linear, bent, trigonal, and tetrahedral geometries. Depending on the size and geometric matching of the monomers, the polymers are dominantly microporous with some mesoporous character or they are non-porous. In addition to standard spectroscopic and surface characterization, the materials were screened as adsorbents for carbon dioxide capture at low pressure (0-1 bar). The best performing material (POF 1D) has a CO₂ capture capacity of 9.0 wt. % (2.04 mmol g^-1) at 298 K and 1 bar which is comparable to other polymeric organic frameworks. Isosteric heats of adsorption for POF 1A, POF 2A, and POF 2B were found to be dependent on the weight percent of CO₂ adsorbed: this suggests there are both chemisorptive and physisorptive components of CO₂ capture by the POFs.

A condition-based maintenance policy for multi-component systems with a high maintenance setup cost

NARCIS (Netherlands)

Zhu, Q.; Peng, H.; Houtum, van G.J.J.A.N.

2012-01-01

Condition-based maintenance (CBM) is becoming increasingly important due to the development of advanced sensor and ICT technology, so that the condition data can be collected remotely. We propose a new CBM policy for multi-component systems with continuous stochastic deteriorations. To reduce the

An efficient polymeric micromotor doped with Pt nanoparticle@carbon nanotubes for complex bio-media.

Science.gov (United States)

Li, Yana; Wu, Jie; Xie, Yuzhe; Ju, Huangxian

2015-04-14

A highly efficient polymeric tubular micromotor doped with Pt nanoparticle@carbon nanotubes is fabricated by template-assisted electrochemical growth. The micromotors preserve good navigation in multi-media and surface modification, along with simple synthesis, easy functionalization and good biocompatibility, displaying great promise in biological applications.

QUANTITATION OF MOLECULAR ENDPOINTS FOR THE DOSE-RESPONSE COMPONENT OF CANCER RISK ASSESSMENT

Science.gov (United States)

Cancer risk assessment involves the steps of hazard identification, dose-response assessment, exposure assessment and risk characterization. The rapid advances in the use of molecular biology approaches has had an impact on all four components, but the greatest overall current...

Synthesis of Well-defined Amphiphilic Block Copolymers by Organotellurium-Mediated Living Radical Polymerization (TERP).

Science.gov (United States)

Kumar, Santosh; Changez, Mohammad; Murthy, C N; Yamago, Shigeru; Lee, Jae-Suk

2011-10-04

Low-molecular weight amphiphilic diblock copolymers, polystyrene-block-poly (2-vinylpyridine) (PS-b-P2VP), and (P2VP-b-PS) with different block ratios were synthesized for the first time via organotellurium-mediated living radical polymerization (TERP). For both the homo- and block copolymerizations, good agreement between the theoretical, and experimental molecular weights was found with nearly 100% yield in every case. The molecular weight distribution for all the samples ranged between 1.10 and 1.24, which is well below the theoretical lower limit of 1.50 for a conventional free radical polymerization. Furthermore, a very simple approach to producing highly dense arrays of titania nanoparticles (TiO2 ) is presented using a site-selective reaction of titanium tetraisopropoxide within the P2VP domains of micellar film of P2VP-b-PS in toluene through the sol-gel method. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Microscopy analysis of reconstituted COPII coat polymerization and Sec16 dynamics.

Science.gov (United States)

Iwasaki, Hirohiko; Yorimitsu, Tomohiro; Sato, Ken

2017-09-01

The COPII coat and the small GTPase Sar1 mediate protein export from the endoplasmic reticulum (ER) via specialized domains known as the ER exit sites. The peripheral ER protein Sec16 has been proposed to organize ER exit sites. However, it remains unclear how these molecules drive COPII coat polymerization. Here, we characterized the spatiotemporal relationships between the Saccharomyces cerevisiae COPII components during their polymerization by performing fluorescence microscopy of an artificial planar membrane. We demonstrated that Sar1 dissociates from the membrane shortly after the COPII coat recruitment, and Sar1 is then no longer required for the COPII coat to bind to the membrane. Furthermore, we found that Sec16 is incorporated within the COPII-cargo clusters, and that this is dependent on the Sar1 GTPase cycle. These data show how Sar1 drives the polymerization of COPII coat and how Sec16 is spatially distributed during COPII coat polymerization. © 2017. Published by The Company of Biologists Ltd.

Segmented frequency-domain fluorescence lifetime measurements: minimizing the effects of photobleaching within a multi-component system.

Science.gov (United States)

Marwani, Hadi M; Lowry, Mark; Keating, Patrick; Warner, Isiah M; Cook, Robert L

2007-11-01

This study introduces a newly developed frequency segmentation and recombination method for frequency-domain fluorescence lifetime measurements to address the effects of changing fractional contributions over time and minimize the effects of photobleaching within multi-component systems. Frequency segmentation and recombination experiments were evaluated using a two component system consisting of fluorescein and rhodamine B. Comparison of experimental data collected in traditional and segmented fashion with simulated data, generated using different changing fractional contributions, demonstrated the validity of the technique. Frequency segmentation and recombination was also applied to a more complex system consisting of pyrene with Suwannee River fulvic acid reference and was shown to improve recovered lifetimes and fractional intensity contributions. It was observed that photobleaching in both systems led to errors in recovered lifetimes which can complicate the interpretation of lifetime results. Results showed clear evidence that the frequency segmentation and recombination method reduced errors resulting from a changing fractional contribution in a multi-component system, and allowed photobleaching issues to be addressed by commercially available instrumentation.

Review of some research work on surface modification and polymerizations by non-equilibrium plasma in Turkey

International Nuclear Information System (INIS)

Akovali, Guneri

2004-01-01

Non equilibrium plasma studies in Turkey can be considered as organized on two different lines: surface modification studies and plasma polymerization studies. Plasma surface modification studies: In different laboratories in Turkey the modification of materials' surfaces by plasma covers a wide spectra, for example: fibers (Carbon (CF) and polyacrylonitrile (PAN)), fabrics (PET/Cotton and PET/PA), biomaterials-food oriented (PU), denture Acrylic matrix, plasmochemical modification of a (PE and PP) film surface by several selected silicon and tin containing monomers, polymer blends and composites, recycled rubber and epoxy systems, etc. Plasma polymerization studies: This topic is accomplished by a great number of projects, for instance: plasma initiation polymerization and copolymerization of Styrene and MMA, Plasma-initiated polymerizations of Acrylamide (AA), kinetics of polymer deposition of several selected saturated hydrocarbons, silanization treatments by hexamethyldisilazane (HDMS), Plasma initiated polymerization (PIP) of allyl alcohol and 1-propano, (PSP) and (PIP) studies related to activated charcoal are done to explore their applications in haemoperfusion, an amperometric alcohol single-layer electrode is prepared by (EDA) plasma polymerization, preparation of mass sensitive immuno sensors and single layer multi enzyme electrodes by plasma polymerisation technique, etc

Integrability Aspects and Soliton Solutions for a System Describing Ultrashort Pulse Propagation in an Inhomogeneous Multi-Component Medium

International Nuclear Information System (INIS)

Guo Rui; Tian Bo; Lue Xing; Zhang Haiqiang; Xu Tao

2010-01-01

For the propagation of the ultrashort pulses in an inhomogeneous multi-component nonlinear medium, a system of coupled equations is analytically studied in this paper. Painleve analysis shows that this system admits the Painleve property under some constraints. By means of the Ablowitz-Kaup-Newell-Segur procedure, the Lax pair of this system is derived, and the Darboux transformation (DT) is constructed with the help of the obtained Lax pair. With symbolic computation, the soliton solutions are obtained by virtue of the DT algorithm. Figures are plotted to illustrate the dynamical features of the soliton solutions. Characteristics of the solitons propagating in an inhomogeneous multi-component nonlinear medium are discussed: (i) Propagation of one soliton and two-peak soliton; (ii) Elastic interactions of the parabolic two solitons; (iii) Overlap phenomenon between two solitons; (iv) Collision of two head-on solitons and two head-on two-peak solitons; (v) Two different types of interactions of the three solitons; (vi) Decomposition phenomenon of one soliton into two solitons. The results might be useful in the study on the ultrashort-pulse propagation in the inhomogeneous multi-component nonlinear media. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

In situ intercalative polymerization of poly (ε-caprolactone)/ 12-amino lauric acid-modified clay nano composites

International Nuclear Information System (INIS)

Reyes, Larry; Monserate, Juvy J.; Sumera, Florentino

2013-01-01

Polymer/layered silicate nano composites were prepared by in situ intercalative polymerization method from from ε-caprolactone (ε-CL) and 12-amino lauric acid modified montmorillonite (AMMT). The organo-modified clay was investigated for its capacity to facilitate ring-opening polymerization of ε-caprolactone within its silicate layers. The effect of varying the organo-modified clay loading (5%, 10% and 15% by weight) on the molecular weight of the poly (ε-caprolactone) (PCL) product was assessed by gel-permeation chromatography. The molecular weight of the polymer with different clay loadings ranged from ∼30,000 g/mo to ∼70,000 g/mol, where the 10% loading produced the highest molecular weight. Fourier Transform infrared (FTIR), and 1 H and 13 C Nuclear Magnetic Resonance (NMR) Spectroscopy were conducted to probe the composition of the polymer and the catalytic activity of AMMT to polymerize ε-CL. FTIR analyses showed two medium intensity and narrow CO-O stretching vibrations for the PCL products at around 1240 cm-1 and 1160 cm-1, which are attributed to ester skeletal backbone. 1 HNMR spectroscopic analysis revealed signals at 4.07 ppm and 3.66 ppm which can be attributed to εmethylene of caprolactone and methyl of ending ester group, respectively. The formation of the nano composites were assessed by X-ray Diffraction (XRD) and Transmission Electron Microscopy (TEM), XRD analyses showed a broadening and disappearance of diffraction peak of AMMT in the nana composite which may indicate the formation of the intercalated and partially exfoliated PCVL/AMMT nana composites. TEM observations corroborated the presence of intercalated and exfoliated layers of AMMT after polymerization. The present work demonstrates that AMMT can be used as an alternative g reen catalyst's for the production of biodegradable polymers, where the in situ intercalative polymerization was employed as a direct method of preparing polymer/layered silicates (author)

Molecular cytogenetic analysis of human blastocysts andcytotrophoblasts by multi-color FISH and Spectra Imaging analyses

Energy Technology Data Exchange (ETDEWEB)

Weier, Jingly F.; Ferlatte, Christy; Baumgartner, Adolf; Jung,Christine J.; Nguyen, Ha-Nam; Chu, Lisa W.; Pedersen, Roger A.; Fisher,Susan J.; Weier, Heinz-Ulrich G.

2006-02-08

Numerical chromosome aberrations in gametes typically lead to failed fertilization, spontaneous abortion or a chromosomally abnormal fetus. By means of preimplantation genetic diagnosis (PGD), we now can screen human embryos in vitro for aneuploidy before transferring the embryos to the uterus. PGD allows us to select unaffected embryos for transfer and increases the implantation rate in in vitro fertilization programs. Molecular cytogenetic analyses using multi-color fluorescence in situ hybridization (FISH) of blastomeres have become the major tool for preimplantation genetic screening of aneuploidy. However, current FISH technology can test for only a small number of chromosome abnormalities and hitherto failed to increase the pregnancy rates as expected. We are in the process of developing technologies to score all 24 chromosomes in single cells within a 3 day time limit, which we believe is vital to the clinical setting. Also, human placental cytotrophoblasts (CTBs) at the fetal-maternal interface acquire aneuploidies as they differentiate to an invasive phenotype. About 20-50% of invasive CTB cells from uncomplicated pregnancies were found aneuploidy, suggesting that the acquisition of aneuploidy is an important component of normal placentation, perhaps limiting the proliferative and invasive potential of CTBs. Since most invasive CTBs are interphase cells and possess extreme heterogeneity, we applied multi-color FISH and repeated hybridizations to investigate individual CTBs. In summary, this study demonstrates the strength of Spectral Imaging analysis and repeated hybridizations, which provides a basis for full karyotype analysis of single interphase cells.

Polymerization of epoxy resins studied by positron annihilation

Energy Technology Data Exchange (ETDEWEB)

Suzuki, T. [Radiation Science Center, High Energy Accelerator Research Organization (KEK), Tsukuba (Japan); Hayashi, T. [Fine Chemical Research Lab., Sumitomo Chemical, Tsukuba (Japan); Ito, Y. [Research Center for Nuclear Science and Technology, Univ. of Tokyo (Japan)

2001-04-01

Positron annihilation lifetime spectroscopy (PALS) has been applied to study polymerization of epoxy resins of cresole novolac with a hardener of phenol novolac. PALS uses positrons to probe the microstructure of a nanometer (nm) size. Using PALS polymerization can be followed through three states: powder (monomer), liquid and solid. PALS is a unique method for the detection of intermolecular spaces, hence polymerization was followed from the point of view of free spaces (inter-molecular spaces) between polymer networks. The glass transition temperature (T{sub g}) was determined from the temperature dependence of the positronium (Ps) lifetime. Although Tg determined by PALS is usually lower than that determined by a mechanical analysis (TMA), it was observed that T{sub g} approached the value determined by TMA after long curing. Ps can form bubbles in a liquid, and the surface tension of a mixture of the resin and the hardener was calculated from a simple empirical formula using the Ps lifetime; the resulting value is similar to that of the bisphenol-A epoxy resin. Gelation was observed as an increase in the intensity of Ps and a sharp decrease in the lifetime. (orig.)

Molecularly imprinted polymer microspheres prepared by Pickering emulsion polymerization for selective solid-phase extraction of eight bisphenols from human urine samples

International Nuclear Information System (INIS)

Yang, Jiajia; Li, Yun; Wang, Jincheng; Sun, Xiaoli; Cao, Rong; Sun, Hao; Huang, Chaonan; Chen, Jiping

2015-01-01

Highlights: • BPA imprinted polymer microspheres were prepared by Pickering emulsion polymerization. • Regular spherical shape and narrow diameter distribution. • Good specific adsorption capacity for BPA. • Good class-selectivity and clean-up efficiency for bisphenols in human urine under SPE mode. • Good recoveries and sensitivity for bisphenols using the MIPMS-SPE coupled with HPLC-DAD method. - Abstract: The bisphenol A (BPA) imprinted polymer microspheres were prepared by simple Pickering emulsion polymerization. Compared to traditional bulk polymerization, both high yields of polymer and good control of particle sizes were achieved. The characterization results of scanning electron microscopy and nitrogen adsorption–desorption measurements showed that the obtained molecularly imprinted polymer microsphere (MIPMS) particles possessed regular spherical shape, narrow diameter distribution (30–60 μm), a specific surface area (S BET ) of 281.26 m 2 g −1 and a total pore volume (V t ) of 0.459 cm 3 g −1 . Good specific adsorption capacity for BPA was obtained in the sorption experiment and good class selectivity for BPA and its seven structural analogs (bisphenol F, bisphenol B, bisphenol E, bisphenol AF, bisphenol S, bisphenol AP and bisphenol Z) was demonstrated by the chromatographic evaluation experiment. The MIPMS as solid-phase extraction (SPE) packing material was then evaluated for extraction and clean-up of these bisphenols (BPs) from human urine samples. An accurate and sensitive analytical method based on the MIPMS-SPE coupled with HPLC-DAD has been successfully established for simultaneous determination of eight BPs from human urine samples with detection limits of 1.2–2.2 ng mL −1 . The recoveries of BPs for urine samples at two spiking levels (100 and 500 ng mL −1 for each BP) were in the range of 81.3–106.7% with RSD values below 8.3%

Ionic Liquid-Catalyzed Green Protocol for Multi-Component Synthesis of Dihydropyrano[2,3-c]pyrazoles as Potential Anticancer Scaffolds

Directory of Open Access Journals (Sweden)

Urja D. Nimbalkar

2017-09-01

Full Text Available A series of 6-amino-4-substituted-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles 5a–j were synthesized via one-pot, four-component condensation reactions of aryl aldehydes 1a–j, propanedinitrile (2, hydrazine hydrate (3 and ethyl acetoacetate (4 under solvent-free conditions. We report herein the use of the Brønsted acid ionic liquid (BAIL triethylammonium hydrogen sulphate [Et3NH][HSO4] as catalyst for this multi-component synthesis. Compared with the available reaction methodology, this new method has consistent advantages, including excellent yields, a short reaction time, mild reaction conditions and catalyst reusability. Selected synthesized derivatives were evaluated for in vitro anticancer activity against four human cancer cell lines viz. melanoma cancer cell line (SK-MEL-2, breast cancer cell line(MDA-MB-231, leukemia cancer cell line (K-562 and cervical cancer cell line (HeLa. Compounds 5b, 5d, 5g, 5h and 5j exhibited promising anticancer activity against all selected human cancer cell lines, except HeLa. Molecular docking studies also confirmed 5b and 5d as good lead molecules. An in silico ADMET study of the synthesized anticancer agents indicated good oral drug-like behavior and non-toxic nature.

Tunable, Quantitative Fenton-RAFT Polymerization via Metered Reagent Addition.

Science.gov (United States)

Nothling, Mitchell D; McKenzie, Thomas G; Reyhani, Amin; Qiao, Greg G

2018-05-10

A continuous supply of radical species is a key requirement for activating chain growth and accessing quantitative monomer conversions in reversible addition-fragmentation chain transfer (RAFT) polymerization. In Fenton-RAFT, activation is provided by hydroxyl radicals, whose indiscriminate reactivity and short-lived nature poses a challenge to accessing extended polymerization times and quantitative monomer conversions. Here, an alternative Fenton-RAFT procedure is presented, whereby radical generation can be finely controlled via metered dosing of a component of the Fenton redox reaction (H 2 O 2 ) using an external pumping system. By limiting the instantaneous flux of radicals and ensuring sustained radical generation over tunable time periods, metered reagent addition reduces unwanted radical "wasting" reactions and provides access to consistent quantitative monomer conversions with high chain-end fidelity. Fine tuning of radical concentration during polymerization is achieved simply via adjustment of reagent dose rate, offering significant potential for automation. This modular strategy holds promise for extending traditional RAFT initiation toward more tightly regulated radical concentration profiles and affords excellent prospects for the automation of Fenton-RAFT polymerization. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Polyethers for biomedical applications. Polymerization of propylene oxide by organozinc/organotin catalysts

NARCIS (Netherlands)

Bots, Jan Gert; van der Does, L.; Bantjes, Adriaan; Broersma, Jaap

1987-01-01

The polymerization of propylene oxide to obtain a high-molecular-weight polymer with an atactic structure required for the application as artificial blood vessels was investigated using combinations of organozinc and organotin compounds as catalyst. The composition of the most active catalyst,

Improving the Psychosocial Work Environment at Multi-Ethnic Workplaces: A Multi-Component Intervention Strategy in the Cleaning Industry

Directory of Open Access Journals (Sweden)

Mari-Ann Flyvholm

2013-10-01

Full Text Available Global labour migration has increased in recent years and immigrant workers are often recruited into low status and low paid jobs such as cleaning. Research in a Danish context shows that immigrants working in the cleaning industry often form social networks based on shared languages and backgrounds, and that conflict between different ethnic groups may occur. This paper evaluates the impact of a multi-component intervention on the psychosocial work environment at a multi-ethnic Danish workplace in the cleaning sector. The intervention included Danish lessons, vocational training courses, and activities to improve collaboration across different groups of cleaners. Interviews about the outcome of the intervention were conducted with the cleaners and their supervisor. The Copenhagen Psychosocial Questionnaire was used as a supplement to the interviews. The results suggest that the psychosocial work environment had improved after the intervention. According to the interviews with the cleaners, the intervention had led to improved communication, trust, and collaboration. These findings are supported by the questionnaire where social support from supervisor and colleagues, social community, trust, and teamwork seem to have improved together with meaning of work, rewards, and emotional demands. The design of the intervention may provide inspiration for future psychosocial work environment interventions at multi-ethnic work places.

Improving the psychosocial work environment at multi-ethnic workplaces: a multi-component intervention strategy in the cleaning industry.

Science.gov (United States)

Smith, Louise Hardman; Hviid, Kirsten; Frydendall, Karen Bo; Flyvholm, Mari-Ann

2013-10-14

Global labour migration has increased in recent years and immigrant workers are often recruited into low status and low paid jobs such as cleaning. Research in a Danish context shows that immigrants working in the cleaning industry often form social networks based on shared languages and backgrounds, and that conflict between different ethnic groups may occur. This paper evaluates the impact of a multi-component intervention on the psychosocial work environment at a multi-ethnic Danish workplace in the cleaning sector. The intervention included Danish lessons, vocational training courses, and activities to improve collaboration across different groups of cleaners. Interviews about the outcome of the intervention were conducted with the cleaners and their supervisor. The Copenhagen Psychosocial Questionnaire was used as a supplement to the interviews. The results suggest that the psychosocial work environment had improved after the intervention. According to the interviews with the cleaners, the intervention had led to improved communication, trust, and collaboration. These findings are supported by the questionnaire where social support from supervisor and colleagues, social community, trust, and teamwork seem to have improved together with meaning of work, rewards, and emotional demands. The design of the intervention may provide inspiration for future psychosocial work environment interventions at multi-ethnic work places.

Fiscal 1994 technological survey report. Research study on polymer materials by precision polymerization; 1994 nendo seimitsu jugo kobunshi zairyo ni kansuru chosa kenkyu hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-03-01

In the paradigm that propelled polymer chemistry, there are involved the establishment of polymer concept, engineering plastics, regulation of higher ordered structure, and precision polymerization. The first two produced the polymer chemistry era in the 20th century. The regulation of higher ordered structure and the precision polymerization are the fundamental technologies supporting the polymer chemistry of the 21st century. The precision polymerization is a technology for regulating the stereospecificity, sequential structure, and molecular weight of polymers by regulating atoms and molecules and is referred to the following important techniques to be concrete. In the precision addition polymerization, stereospecific regulation and purification of active site to give living polymers are required while, in the precision condensation polymerization, regulation of condensation probability process to be secondary Marcov chain is necessary, as is the establishment of non-defect condensation condition avoiding high temperature deterioration and the like. In the biomimetic precision polymerization, key issues are the method of incorporating molecular recognition control and sequential structure control by living organs into an industrial process. If the higher ordered structure can be regulated by the precision polymerization, it is possible to obtain numerous high performance/high functional materials such as superconductors. (NEDO)

The multi-component model of working memory: explorations in experimental cognitive psychology.

Science.gov (United States)

Repovs, G; Baddeley, A

2006-04-28

There are a number of ways one can hope to describe and explain cognitive abilities, each of them contributing a unique and valuable perspective. Cognitive psychology tries to develop and test functional accounts of cognitive systems that explain the capacities and properties of cognitive abilities as revealed by empirical data gathered by a range of behavioral experimental paradigms. Much of the research in the cognitive psychology of working memory has been strongly influenced by the multi-component model of working memory [Baddeley AD, Hitch GJ (1974) Working memory. In: Recent advances in learning and motivation, Vol. 8 (Bower GA, ed), pp 47-90. New York: Academic Press; Baddeley AD (1986) Working memory. Oxford, UK: Clarendon Press; Baddeley A. Working memory: Thought and action. Oxford: Oxford University Press, in press]. By expanding the notion of a passive short-term memory to an active system that provides the basis for complex cognitive abilities, the model has opened up numerous questions and new lines of research. In this paper we present the current revision of the multi-component model that encompasses a central executive, two unimodal storage systems: a phonological loop and a visuospatial sketchpad, and a further component, a multimodal store capable of integrating information into unitary episodic representations, termed episodic buffer. We review recent empirical data within experimental cognitive psychology that has shaped the development of the multicomponent model and the understanding of the capacities and properties of working memory. Research based largely on dual-task experimental designs and on neuropsychological evidence has yielded valuable information about the fractionation of working memory into independent stores and processes, the nature of representations in individual stores, the mechanisms of their maintenance and manipulation, the way the components of working memory relate to each other, and the role they play in other

Thermally modulated nano-trampoline material as smart skin for gas molecular mass detection

Science.gov (United States)

Xia, Hua

2012-06-01

Conventional multi-component gas analysis is based either on laser spectroscopy, laser and photoacoustic absorption at specific wavelengths, or on gas chromatography by separating the components of a gas mixture primarily due to boiling point (or vapor pressure) differences. This paper will present a new gas molecular mass detection method based on thermally modulated nano-trampoline material as smart skin for gas molecular mass detection by fiber Bragg grating-based gas sensors. Such a nanomaterial and fiber Bragg grating integrated sensing device has been designed to be operated either at high-energy level (highly thermal strained status) or at low-energy level (low thermal strained status). Thermal energy absorption of gas molecular trigs the sensing device transition from high-thermal-energy status to low-thermal- energy status. Experiment has shown that thermal energy variation due to gas molecular thermal energy absorption is dependent upon the gas molecular mass, and can be detected by fiber Bragg resonant wavelength shift with a linear function from 17 kg/kmol to 32 kg/kmol and a sensitivity of 0.025 kg/kmol for a 5 micron-thick nano-trampoline structure and fiber Bragg grating integrated gas sensing device. The laboratory and field validation data have further demonstrated its fast response characteristics and reliability to be online gas analysis instrument for measuring effective gas molecular mass from single-component gas, binary-component gas mixture, and multi-gas mixture. The potential industrial applications include fouling and surge control for gas charge centrifugal compressor ethylene production, gas purity for hydrogen-cooled generator, gasification for syngas production, gasoline/diesel and natural gas fuel quality monitoring for consumer market.

Structural Molecular Components of Septate Junctions in Cnidarians Point to the Origin of Epithelial Junctions in Eukaryotes

KAUST Repository

Ganot, P.

2014-09-21

Septate junctions (SJs) insure barrier properties and control paracellular diffusion of solutes across epithelia in invertebrates. However, the origin and evolution of their molecular constituents in Metazoa have not been firmly established. Here, we investigated the genomes of early branching metazoan representatives to reconstruct the phylogeny of the molecular components of SJs. Although Claudins and SJ cytoplasmic adaptor components appeared successively throughout metazoan evolution, the structural components of SJs arose at the time of Placozoa/Cnidaria/Bilateria radiation. We also show that in the scleractinian coral Stylophora pistillata, the structural SJ component Neurexin IV colocalizes with the cortical actin network at the apical border of the cells, at the place of SJs. We propose a model for SJ components in Cnidaria. Moreover, our study reveals an unanticipated diversity of SJ structural component variants in cnidarians. This diversity correlates with gene-specific expression in calcifying and noncalcifying tissues, suggesting specific paracellular pathways across the cell layers of these diploblastic animals.

Development of a method of lifetime assessment of power plant components under complex multi-axial vibration loads

International Nuclear Information System (INIS)

Fesich, Thomas M.

2012-01-01

In general, technical components are loaded and stressed by forces and moments both constant and variable over time. Multi-axial stress conditions can arise as a function of the load on, and/or the geometry of, a component. Assessing the impact on stability of multi-axial stress conditions is a problem for which no generally valid solution has as yet been found, especially when loads and stresses vary over time. This is also due to the fact that the development over time of stresses can give rise to very complex stress conditions. Assessing the lifetime of power plant components subjected to complex vibration loads and stresses often is not reliable if performed by means of conventional codes and approaches, or is associated with high degrees of conservatism. The MPA AIM-Life concept developed at the Stuttgart MPA/IMWF, which is an advanced and verified strength hypothesis based on energy considerations, allows such assessments to be made more reliably, numerically efficient, and avoiding excessive conservatism. (orig.)