Trusted Silicon Stratus (TSS) Workshop

DTIC Science & Technology

2011-02-01

business case for a proposed Infrastructure-as-a- Service (IaaS)/ Software -as-a- Service ( SaaS ) cloud architecture. User desires for innovative pricing and...Public Physically Unclonable Function PUF Physically Unclonable Function SaaS Software -as-a- Service SIP Semiconductor Intellectual Property SNL...WORKSHOP NIMBIS SERVICES INCORPORATED FEBRUARY 2011 FINAL TECHNICAL REPORT  ROME, NY 13441 UNITED STATES AIR FORCE  AIR FORCE

Evolution of catalytic function

NASA Technical Reports Server (NTRS)

Joyce, G. F.

1993-01-01

An RNA-based evolution system was constructed in the laboratory and used to develop RNA enzymes with novel catalytic function. By controlling the nature of the catalytic task that the molecules must perform in order to survive, it is possible to direct the evolving population toward the expression of some desired catalytic behavior. More recently, this system has been coupled to an in vitro translation procedure, raising the possibility of evolving protein enzymes in the laboratory to produce novel proteins with desired catalytic properties. The aim of this line of research is to reduce darwinian evolution, the fundamental process of biology, to a laboratory procedure that can be made to operate in the service of organic synthesis.

Examining Mechanical Strength Characteristics of Selective Inhibition Sintered HDPE Specimens Using RSM and Desirability Approach

NASA Astrophysics Data System (ADS)

Rajamani, D.; Esakki, Balasubramanian

2017-09-01

Selective inhibition sintering (SIS) is a powder based additive manufacturing (AM) technique to produce functional parts with an inexpensive system compared with other AM processes. Mechanical properties of SIS fabricated parts are of high dependence on various process parameters importantly layer thickness, heat energy, heater feedrate, and printer feedrate. In this paper, examining the influence of these process parameters on evaluating mechanical properties such as tensile and flexural strength using Response Surface Methodology (RSM) is carried out. The test specimens are fabricated using high density polyethylene (HDPE) and mathematical models are developed to correlate the control factors to the respective experimental design response. Further, optimal SIS process parameters are determined using desirability approach to enhance the mechanical properties of HDPE specimens. Optimization studies reveal that, combination of high heat energy, low layer thickness, medium heater feedrate and printer feedrate yielded superior mechanical strength characteristics.

Diffracted light from latent images in photoresist for exposure control

DOEpatents

Bishop, Kenneth P.; Brueck, Steven R. J.; Gaspar, Susan M.; Hickman, Kirt C.; McNeil, John R.; Naqvi, S. Sohail H.; Stallard, Brian R.; Tipton, Gary D.

1997-01-01

In microelectronics manufacturing, an arrangement for monitoring and control of exposure of an undeveloped photosensitive layer on a structure susceptible to variations in optical properties in order to attain the desired critical dimension for the pattern to be developed in the photosensitive layer. This is done by ascertaining the intensities for one or more respective orders of diffracted power for an incident beam of radiation corresponding to the desired critical dimension for the photosensitive layer as a function of exposure time and optical properties of the structure, illuminating the photosensitive layer with a beam of radiation of one or more frequencies to which the photosensitive layer is not exposure-sensitive, and monitoring the intensities of the orders of diffracted radiation due to said illumination including at least the first order of diffracted radiation thereof, such that when said predetermined intensities for the diffracted orders are reached during said illumination of photosensitive layer, it is known that a pattern having at least approximately the desired critical dimension can be developed on the photosensitive layer.

Center for Functional Nanomaterials

ScienceCinema

BNL

2017-12-09

Staff from Brookhaven's new Center for Functional Nanomaterials (CFN) describe how this advanced facility will focus on the development and understanding of nanoscale materials. The CFN provides state-of-the-art capabilities for the fabrication and study of nanoscale materials, with an emphasis on atomic-level tailoring to achieve desired properties and functions. The overarching scientific theme of the CFN is the development and understanding of nanoscale materials that address the Nation's challenges in energy security.

Adaptive strategies for materials design using uncertainties

DOE PAGES

Balachandran, Prasanna V.; Xue, Dezhen; Theiler, James; ...

2016-01-21

Here, we compare several adaptive design strategies using a data set of 223 M2AX family of compounds for which the elastic properties [bulk (B), shear (G), and Young’s (E) modulus] have been computed using density functional theory. The design strategies are decomposed into an iterative loop with two main steps: machine learning is used to train a regressor that predicts elastic properties in terms of elementary orbital radii of the individual components of the materials; and a selector uses these predictions and their uncertainties to choose the next material to investigate. The ultimate goal is to obtain a material withmore » desired elastic properties in as few iterations as possible. We examine how the choice of data set size, regressor and selector impact the design. We find that selectors that use information about the prediction uncertainty outperform those that don’t. Our work is a step in illustrating how adaptive design tools can guide the search for new materials with desired properties.« less

Adaptive strategies for materials design using uncertainties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balachandran, Prasanna V.; Xue, Dezhen; Theiler, James

Here, we compare several adaptive design strategies using a data set of 223 M2AX family of compounds for which the elastic properties [bulk (B), shear (G), and Young’s (E) modulus] have been computed using density functional theory. The design strategies are decomposed into an iterative loop with two main steps: machine learning is used to train a regressor that predicts elastic properties in terms of elementary orbital radii of the individual components of the materials; and a selector uses these predictions and their uncertainties to choose the next material to investigate. The ultimate goal is to obtain a material withmore » desired elastic properties in as few iterations as possible. We examine how the choice of data set size, regressor and selector impact the design. We find that selectors that use information about the prediction uncertainty outperform those that don’t. Our work is a step in illustrating how adaptive design tools can guide the search for new materials with desired properties.« less

First-principles study of the effect of functional groups on polyaniline backbone

PubMed Central

Chen, X. P.; Jiang, J. K.; Liang, Q. H.; Yang, N.; Ye, H. Y.; Cai, M.; Shen, L.; Yang, D. G.; Ren, T. L.

2015-01-01

We present a first-principles density functional theory study focused on how the chemical and electronic properties of polyaniline are adjusted by introducing suitable substituents on a polymer backbone. Analyses of the obtained energy barriers, reaction energies and minimum energy paths indicate that the chemical reactivity of the polyaniline derivatives is significantly enhanced by protonic acid doping of the substituted materials. Further study of the density of states at the Fermi level, band gap, HOMO and LUMO shows that both the unprotonated and protonated states of these polyanilines are altered to different degrees depending on the functional group. We also note that changes in both the chemical and electronic properties are very sensitive to the polarity and size of the functional group. It is worth noting that these changes do not substantially alter the inherent chemical and electronic properties of polyaniline. Our results demonstrate that introducing different functional groups on a polymer backbone is an effective approach to obtain tailored conductive polymers with desirable properties while retaining their intrinsic properties, such as conductivity. PMID:26584671

Post-polymerization functionalization of polyolefins.

PubMed

Boaen, Nicole K; Hillmyer, Marc A

2005-03-01

Polyolefins are macromolecular alkanes and include the most familiar and most commercially produced plastic, polyethylene. The low cost of these materials combined with their diverse and desirable property profiles drive such large-scale production. One property that renders polyolefins so attractive is their resistance to harsh chemical environments. However, this attribute becomes a severe limitation when attempting to chemically convert these plastics into value-added materials. Functionalization of polymers is a useful methodology for the generation of new materials with wide ranging applications, and this tutorial review describes both new and established methods for the post-polymerization modification of polyolefins.

Mechanical Properties of Nylon Harp Strings

PubMed Central

Lynch-Aird, Nicolas; Woodhouse, Jim

2017-01-01

Monofilament nylon strings with a range of diameters, commercially marketed as harp strings, have been tested to establish their long-term mechanical properties. Once a string had settled into a desired stress state, the Young’s modulus was measured by a variety of methods that probe different time-scales. The modulus was found to be a strong function of testing frequency and also a strong function of stress. Strings were also subjected to cyclical variations of temperature, allowing various thermal properties to be measured: the coefficient of linear thermal expansion and the thermal sensitivities of tuning, Young’s modulus and density. The results revealed that the particular strings tested are divided into two groups with very different properties: stress-strain behaviour differing by a factor of two and some parametric sensitivities even having the opposite sign. Within each group, correlation studies allowed simple functional fits to be found to the key properties, which have the potential to be used in automated tuning systems for harp strings. PMID:28772858

Mechanical Properties of Nylon Harp Strings.

PubMed

Lynch-Aird, Nicolas; Woodhouse, Jim

2017-05-04

Monofilament nylon strings with a range of diameters, commercially marketed as harp strings, have been tested to establish their long-term mechanical properties. Once a string had settled into a desired stress state, the Young's modulus was measured by a variety of methods that probe different time-scales. The modulus was found to be a strong function of testing frequency and also a strong function of stress. Strings were also subjected to cyclical variations of temperature, allowing various thermal properties to be measured: the coefficient of linear thermal expansion and the thermal sensitivities of tuning, Young's modulus and density. The results revealed that the particular strings tested are divided into two groups with very different properties: stress-strain behaviour differing by a factor of two and some parametric sensitivities even having the opposite sign. Within each group, correlation studies allowed simple functional fits to be found to the key properties, which have the potential to be used in automated tuning systems for harp strings.

Electrospun Polymer Nanofibers Decorated with Noble Metal Nanoparticles for Chemical Sensing.

PubMed

Chen, Chen; Tang, Yongan; Vlahovic, Branislav; Yan, Fei

2017-12-01

The integration of different noble metal nanostructures, which exhibit desirable plasmonic and/or electrocatalytic properties, with electrospun polymer nanofibers, which display unique mechanical and thermodynamic properties, yields novel hybrid nanoscale systems of synergistic properties and functions. This review summarizes recent advances on how to incorporate noble metal nanoparticles into electrospun polymer nanofibers and illustrates how such integration paves the way towards chemical sensing applications with improved sensitivity, stability, flexibility, compatibility, and selectivity. It is expected that further development of this field will eventually make a wide impact on many areas of research.

Photochemically modified diamond-like carbon surfaces for neural interfaces.

PubMed

Hopper, A P; Dugan, J M; Gill, A A; Regan, E M; Haycock, J W; Kelly, S; May, P W; Claeyssens, F

2016-01-01

Diamond-like carbon (DLC) was modified using a UV functionalization method to introduce surface-bound amine and aldehyde groups. The functionalization process rendered the DLC more hydrophilic and significantly increased the viability of neurons seeded to the surface. The amine functionalized DLC promoted adhesion of neurons and fostered neurite outgrowth to a degree indistinguishable from positive control substrates (glass coated with poly-L-lysine). The aldehyde-functionalized surfaces performed comparably to the amine functionalized surfaces and both additionally supported the adhesion and growth of primary rat Schwann cells. DLC has many properties that are desirable in biomaterials. With the UV functionalization method demonstrated here it may be possible to harness these properties for the development of implantable devices to interface with the nervous system. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

Uses and desirable properties of wood in the 21st century

Treesearch

Theodore Wegner; Kenneth E. Skog; Peter J. Ince; Charles J. Michler

2010-01-01

The desirability of specific wood properties is driven by a number of social, economic, and environmental factors that influence wood-use trends. This article discusses current continuing commercial uses of wood, significant new or emerging commercial uses, and desirable wood properties indicated by projected changes in wood use. Emerging issues and applications such...

Multi-objective optimization in the development of oil and water repellent cellulose fabric based on response surface methodology and the desirability function

NASA Astrophysics Data System (ADS)

Ahmad, Naseer; Kamal, Shahid; Raza, Zulfiqar Ali; Hussain, Tanveer

2017-03-01

The present study investigated multi-response optimization of certain input parameters viz. concentrations of oil and water repellent finish (Oleophobol CP-C®), dimethylol dihydroxy ethylene urea based cross linking agent (Knittex FEL) and curing temperature on some mechanical, (i.e. tear and tensile strengths), functional (i.e., water contact angle ‘WCA’, oil contact angle ‘OCA’) and comfort (i.e. crease recovery angle ‘CRA’, air permeability ‘AP’, and stiffness) properties of an oleo-hydrophobic finished fabric under response surface methodology and the desirability function. The results have been examined using analysis of variance (ANOVA) and desirability function for the identification of optimum levels of input variables. The ANOVA was employed also to identify the percentage contribution of process factors. Under the optimized conditions, which were obtained with a total desirability value of 0.7769, the experimental values of Oleophobol CP-C® (O-CPC), Knittex FEL (K-FEL) and curing temperature (C-Temp) agreed closely with the predicted values. The optimized process parameters for maximum WCA (135°), OCA (129°), AP (290 m s-1), CRA (214°), tear (1492 gf) and tensile (764 N) strengths and minimum stiffness (3.2928 cm) were found to be: concentration of OCP-C as 44.44 g l-1, concentration of cross linker K-FEL as 32.07 g l-1 and C-Temp as 161.81 °C.

Method for preparing salt solutions having desired properties

DOEpatents

Ally, Moonis R.; Braunstein, Jerry

1994-01-01

The specification discloses a method for preparing salt solutions which exhibit desired thermodynamic properties. The method enables prediction of the value of the thermodynamic properties for single and multiple salt solutions over a wide range of conditions from activity data and constants which are independent of concentration and temperature. A particular application of the invention is in the control of salt solutions in a process to provide a salt solution which exhibits the desired properties.

Hash function based on chaotic map lattices.

PubMed

Wang, Shihong; Hu, Gang

2007-06-01

A new hash function system, based on coupled chaotic map dynamics, is suggested. By combining floating point computation of chaos and some simple algebraic operations, the system reaches very high bit confusion and diffusion rates, and this enables the system to have desired statistical properties and strong collision resistance. The chaos-based hash function has its advantages for high security and fast performance, and it serves as one of the most highly competitive candidates for practical applications of hash function for software realization and secure information communications in computer networks.

Hash function based on chaotic map lattices

NASA Astrophysics Data System (ADS)

Wang, Shihong; Hu, Gang

2007-06-01

A new hash function system, based on coupled chaotic map dynamics, is suggested. By combining floating point computation of chaos and some simple algebraic operations, the system reaches very high bit confusion and diffusion rates, and this enables the system to have desired statistical properties and strong collision resistance. The chaos-based hash function has its advantages for high security and fast performance, and it serves as one of the most highly competitive candidates for practical applications of hash function for software realization and secure information communications in computer networks.

Measuring awareness of financial skills: reliability and validity of a new measure.

PubMed

Cramer, K; Tuokko, H A; Mateer, C A; Hultsch, D F

2004-03-01

This paper examines the psychometric properties of a three-part (participant, informant, and performance) Measure for assessing Awareness of Financial Skills (MAFS). The MAFS was administered to 10 seniors with dementia and 25 well-functioning seniors, and their informants. Measures of cognitive functioning, social desirability, neuroticism, and perceived control were administered to each participant to allow for an assessment of validity. Internal consistency estimates for the participant and informant questionnaires were found to be 0.92 and 0.97, respectively. Convergent validity analysis indicated that performance on this measure was related to level of cognitive functioning, with higher level of unawareness associated with decreased cognitive ability. Discriminant validity analysis showed that performance on this measure was not related to social desirability or neuroticism. This study provides evidence that the MAFS is a reliable and valid tool for assessing awareness of financial skills in older adults.

Combined photoacoustic and magneto-acoustic imaging.

PubMed

Qu, Min; Mallidi, Srivalleesha; Mehrmohammadi, Mohammad; Ma, Li Leo; Johnston, Keith P; Sokolov, Konstantin; Emelianov, Stanislav

2009-01-01

Ultrasound is a widely used modality with excellent spatial resolution, low cost, portability, reliability and safety. In clinical practice and in the biomedical field, molecular ultrasound-based imaging techniques are desired to visualize tissue pathologies, such as cancer. In this paper, we present an advanced imaging technique - combined photoacoustic and magneto-acoustic imaging - capable of visualizing the anatomical, functional and biomechanical properties of tissues or organs. The experiments to test the combined imaging technique were performed using dual, nanoparticle-based contrast agents that exhibit the desired optical and magnetic properties. The results of our study demonstrate the feasibility of the combined photoacoustic and magneto-acoustic imaging that takes the advantages of each imaging techniques and provides high sensitivity, reliable contrast and good penetrating depth. Therefore, the developed imaging technique can be used in wide range of biomedical and clinical application.

Canola Proteins for Human Consumption: Extraction, Profile, and Functional Properties

PubMed Central

Tan, Siong H; Mailer, Rodney J; Blanchard, Christopher L; Agboola, Samson O

2011-01-01

Canola protein isolate has been suggested as an alternative to other proteins for human food use due to a balanced amino acid profile and potential functional properties such as emulsifying, foaming, and gelling abilities. This is, therefore, a review of the studies on the utilization of canola protein in human food, comprising the extraction processes for protein isolates and fractions, the molecular character of the extracted proteins, as well as their food functional properties. A majority of studies were based on proteins extracted from the meal using alkaline solution, presumably due to its high nitrogen yield, followed by those utilizing salt extraction combined with ultrafiltration. Characteristics of canola and its predecessor rapeseed protein fractions such as nitrogen yield, molecular weight profile, isoelectric point, solubility, and thermal properties have been reported and were found to be largely related to the extraction methods. However, very little research has been carried out on the hydrophobicity and structure profiles of the protein extracts that are highly relevant to a proper understanding of food functional properties. Alkaline extracts were generally not very suitable as functional ingredients and contradictory results about many of the measured properties of canola proteins, especially their emulsification tendencies, have also been documented. Further research into improved extraction methods is recommended, as is a more systematic approach to the measurement of desired food functional properties for valid comparison between studies. PMID:21535703

Chemical and physical properties of Paulownia elongata biochar modified with oxidants for horticultural applications

USDA-ARS?s Scientific Manuscript database

Treatment of biochar with oxidants such as acids and hydrogen peroxide has been shown to alter porosity, increase adsorption of chemicals, and introduce functional groups on the biochar surfaces, all of which are desirable for their use in horticultural applications. Biochar was produced from the py...

Fluorinated Silsesquioxanes: Structure, Solubility, and Wetting (Briefing charts)

DTIC Science & Technology

2015-08-01

3DISTRIBUTION A. Approved for public release; distribution unlimited. Non-wetting surfaces Superhydrophilic Hydrophilic Hydrophobic Superhydrophobic 24.00...Emulsions Superhydrophobic / Superoleophilic Science, 2007 10DISTRIBUTION A. Approved for public release; distribution unlimited. Not all F-POSS are...functional dichlorosilane to add any desired functionality • Platform for molecules with  superhydrophobic  or oleophobic properties • A variety of fluoroPOSS

Localized basis functions and other computational improvements in variational nonorthogonal basis function methods for quantum mechanical scattering problems involving chemical reactions

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Truhlar, Donald G.

1990-01-01

The Generalized Newton Variational Principle for 3D quantum mechanical reactive scattering is briefly reviewed. Then three techniques are described which improve the efficiency of the computations. First, the fact that the Hamiltonian is Hermitian is used to reduce the number of integrals computed, and then the properties of localized basis functions are exploited in order to eliminate redundant work in the integral evaluation. A new type of localized basis function with desirable properties is suggested. It is shown how partitioned matrices can be used with localized basis functions to reduce the amount of work required to handle the complex boundary conditions. The new techniques do not introduce any approximations into the calculations, so they may be used to obtain converged solutions of the Schroedinger equation.

Touching moments: desire modulates the neural anticipation of active romantic caress

PubMed Central

Ebisch, Sjoerd J.; Ferri, Francesca; Gallese, Vittorio

2014-01-01

A romantic caress is a basic expression of affiliative behavior and a primary reinforcer. Given its inherent affective valence, its performance also would imply the prediction of reward values. For example, touching a person for whom one has strong passionate feelings likely is motivated by a strong desire for physical contact and associated with the anticipation of hedonic experiences. The present study aims at investigating how the anticipatory neural processes of active romantic caress are modulated by the intensity of the desire for affective contact as reflected by passionate feelings for the other. Functional magnetic resonance imaging scanning was performed in romantically involved partners using a paradigm that allowed to isolate the specific anticipatory representations of active romantic caress, compared with control caress, while testing for the relationship between neural activity and measures of feelings of passionate love for the other. The results demonstrated that right posterior insula activity in anticipation of romantic caress significantly co-varied with the intensity of desire for union with the other. This effect was independent of the sensory-affective properties of the performed touch, like its pleasantness. Furthermore, functional connectivity analysis showed that the same posterior insula cluster interacted with brain regions related to sensory-motor functions as well as to the processing and anticipation of reward. The findings provide insight on the neural substrate mediating between the desire for and the performance of romantic caress. In particular, we propose that anticipatory activity patterns in posterior insula may modulate subsequent sensory-affective processing of skin-to-skin contact. PMID:24616676

Process modeling and parameter optimization using radial basis function neural network and genetic algorithm for laser welding of dissimilar materials

NASA Astrophysics Data System (ADS)

Ai, Yuewei; Shao, Xinyu; Jiang, Ping; Li, Peigen; Liu, Yang; Yue, Chen

2015-11-01

The welded joints of dissimilar materials have been widely used in automotive, ship and space industries. The joint quality is often evaluated by weld seam geometry, microstructures and mechanical properties. To obtain the desired weld seam geometry and improve the quality of welded joints, this paper proposes a process modeling and parameter optimization method to obtain the weld seam with minimum width and desired depth of penetration for laser butt welding of dissimilar materials. During the process, Taguchi experiments are conducted on the laser welding of the low carbon steel (Q235) and stainless steel (SUS301L-HT). The experimental results are used to develop the radial basis function neural network model, and the process parameters are optimized by genetic algorithm. The proposed method is validated by a confirmation experiment. Simultaneously, the microstructures and mechanical properties of the weld seam generated from optimal process parameters are further studied by optical microscopy and tensile strength test. Compared with the unoptimized weld seam, the welding defects are eliminated in the optimized weld seam and the mechanical properties are improved. The results show that the proposed method is effective and reliable for improving the quality of welded joints in practical production.

41 CFR 102-75.450 - What type of property is suitable or desirable for use as a historic monument?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What type of property is... Historic Monuments § 102-75.450 What type of property is suitable or desirable for use as a historic... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

41 CFR 102-75.450 - What type of property is suitable or desirable for use as a historic monument?

Code of Federal Regulations, 2011 CFR

2011-01-01

... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false What type of property is... Historic Monuments § 102-75.450 What type of property is suitable or desirable for use as a historic... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

41 CFR 102-75.450 - What type of property is suitable or desirable for use as a historic monument?

Code of Federal Regulations, 2012 CFR

2012-01-01

... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false What type of property is... Historic Monuments § 102-75.450 What type of property is suitable or desirable for use as a historic... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

41 CFR 102-75.450 - What type of property is suitable or desirable for use as a historic monument?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false What type of property is... Historic Monuments § 102-75.450 What type of property is suitable or desirable for use as a historic... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

41 CFR 102-75.450 - What type of property is suitable or desirable for use as a historic monument?

Code of Federal Regulations, 2014 CFR

2014-01-01

... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false What type of property is... Historic Monuments § 102-75.450 What type of property is suitable or desirable for use as a historic... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

Mineral concentration dependent modulation of mechanical properties of bone-inspired bionanocomposite scaffold

NASA Astrophysics Data System (ADS)

Biswas, Abhijit; Ovaert, Timothy C.; Slaboch, Constance; Zhao, He; Bayer, Ilker S.; Biris, Alexandru S.; Wang, Tao

2011-07-01

We demonstrate tunable mechanical properties of bone-inspired bionanocomposite scaffolds while maintaining the required viscoelasticity. Mechanical properties such as hardness and elastic modulus of the bionanocomposite scaffolds were controlled by varying mineral concentrations of the bioscaffold. In particular, higher calcium and oxygen contents in the bioscaffold resulted in a significant enhancement in hardness and modulus of the bionanocomposite. Moreover, the phosphorous content appeared to be a determining factor in the hardness and mechanical properties of the bionanocomposites. These results open up the possibility of designing new engineered biocompatible nanoscaffolds with desired and tunable biomimetic functions and biomechanical properties with significant potential for advanced bone tissue engineering platforms and bone substitutes.

Ion-Conducting Organic/Inorganic Polymers

NASA Technical Reports Server (NTRS)

Kinder, James D.; Meador, Mary Ann B.

2007-01-01

Ion-conducting polymers that are hybrids of organic and inorganic moieties and that are suitable for forming into solid-electrolyte membranes have been invented in an effort to improve upon the polymeric materials that have been used previously for such membranes. Examples of the prior materials include perfluorosulfonic acid-based formulations, polybenzimidazoles, sulfonated polyetherketone, sulfonated naphthalenic polyimides, and polyethylene oxide (PEO)-based formulations. Relative to the prior materials, the polymers of the present invention offer greater dimensional stability, greater ease of formation into mechanically resilient films, and acceptably high ionic conductivities over wider temperature ranges. Devices in which films made of these ion-conducting organic/inorganic polymers could be used include fuel cells, lithium batteries, chemical sensors, electrochemical capacitors, electrochromic windows and display devices, and analog memory devices. The synthesis of a polymer of this type (see Figure 1) starts with a reaction between an epoxide-functionalized alkoxysilane and a diamine. The product of this reaction is polymerized by hydrolysis and condensation of the alkoxysilane group, producing a molecular network that contains both organic and inorganic (silica) links. The silica in the network contributes to the ionic conductivity and to the desired thermal and mechanical properties. Examples of other diamines that have been used in the reaction sequence of Figure 1 are shown in Figure 2. One can use any of these diamines or any combination of them in proportions chosen to impart desired properties to the finished product. Alternatively or in addition, one could similarly vary the functionality of the alkoxysilane to obtain desired properties. The variety of available alkoxysilanes and diamines thus affords flexibility to optimize the organic/inorganic polymer for a given application.

Controlled surface functionality of magnetic nanoparticles by layer-by-layer assembled nano-films

NASA Astrophysics Data System (ADS)

Choi, Daheui; Son, Boram; Park, Tai Hyun; Hong, Jinkee

2015-04-01

Over the past several years, the preparation of functionalized nanoparticles has been aggressively pursued in order to develop desired structures, compositions, and structural order. Among the various nanoparticles, iron oxide magnetic nanoparticles (MNPs) have shown great promise because the material generated using these MNPs can be used in a variety of biomedical applications and possible bioactive functionalities. In this study, we report the development of various functionalized MNPs (F-MNPs) generated using the layer-by-layer (LbL) self-assembly method. To provide broad functional opportunities, we fabricated F-MNP bio-toolbox by using three different materials: synthetic polymers, natural polymers, and carbon materials. Each of these F-MNPs displays distinct properties, such as enhanced thickness or unique morphologies. In an effort to explore their biomedical applications, we generated basic fibroblast growth factor (bFGF)-loaded F-MNPs. The bFGF-loaded F-MNPs exhibited different release mechanisms and loading amounts, depending on the film material and composition order. Moreover, bFGF-loaded F-MNPs displayed higher biocompatibility and possessed superior proliferation properties than the bare MNPs and pure bFGF, respectively. We conclude that by simply optimizing the building materials and the nanoparticle's film composition, MNPs exhibiting various bioactive properties can be generated.Over the past several years, the preparation of functionalized nanoparticles has been aggressively pursued in order to develop desired structures, compositions, and structural order. Among the various nanoparticles, iron oxide magnetic nanoparticles (MNPs) have shown great promise because the material generated using these MNPs can be used in a variety of biomedical applications and possible bioactive functionalities. In this study, we report the development of various functionalized MNPs (F-MNPs) generated using the layer-by-layer (LbL) self-assembly method. To provide broad functional opportunities, we fabricated F-MNP bio-toolbox by using three different materials: synthetic polymers, natural polymers, and carbon materials. Each of these F-MNPs displays distinct properties, such as enhanced thickness or unique morphologies. In an effort to explore their biomedical applications, we generated basic fibroblast growth factor (bFGF)-loaded F-MNPs. The bFGF-loaded F-MNPs exhibited different release mechanisms and loading amounts, depending on the film material and composition order. Moreover, bFGF-loaded F-MNPs displayed higher biocompatibility and possessed superior proliferation properties than the bare MNPs and pure bFGF, respectively. We conclude that by simply optimizing the building materials and the nanoparticle's film composition, MNPs exhibiting various bioactive properties can be generated. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr07373h

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fredrickson, James K.

In synthetic ecology, a nascent offshoot of synthetic biology, scientists aim to design and construct microbial communities with desirable properties. Such mixed populations of microorganisms can simultaneously perform otherwise incompatible functions. Compared with individual organisms, they can also better resist losses in function as a result of environmental perturbation or invasion by other species. Synthetic ecology may thus be a promising approach for developing robust, stable biotechnological processes, such as the conversion of cellulosic biomass to biofuels. However, achieving this will require detailed knowledge of the principles that guide the structure and function of microbial communities.

Biomembrane disruption by silica-core nanoparticles: effect of surface functional group measured using a tethered bilayer lipid membrane

PubMed Central

Liu, Ying; Zhang, Zhen; Zhang, Quanxuan; Baker, Gregory L.; Worden, R. Mark

2013-01-01

Engineered nanomaterials (ENM) have desirable properties that make them well suited for many commercial applications. However, a limited understanding of how ENM’s properties influence their molecular interactions with biomembranes hampers efforts to design ENM that are both safe and effective. This paper describes the use of a tethered bilayer lipid membrane (tBLM) to characterize biomembrane disruption by functionalized silica-core nanoparticles. Electrochemical impedance spectroscopy was used to measure the time trajectory of tBLM resistance following nanoparticle exposure. Statistical analysis of parameters from an exponential resistance decay model was then used to quantify and analyze differences between the impedance profiles of nanoparticles that were unfunctionalized, amine-functionalized, or carboxyl-functionalized. All of the nanoparticles triggered a decrease in membrane resistance, indicating nanoparticle-induced disruption of the tBLM. Hierarchical clustering allowed the potency of nanoparticles for reducing tBLM resistance to be ranked in the order amine > carboxyl ~ bare silica. Dynamic light scattering analysis revealed that tBLM exposure triggered minor coalescence for bare and amine-functionalized silica nanoparticles but not for carboxyl-functionalized silica nanoparticles. These results indicate that the tBLM method can reproducibly characterize ENM-induced biomembrane disruption and can distinguish the BLM-disruption patterns of nanoparticles that are identical except for their surface functional groups. The method provides insight into mechanisms of molecular interaction involving biomembranes and is suitable for miniaturization and automation for high-throughput applications to help assess the health risk of nanomaterial exposure or identify ENM having a desired mode of interaction with biomembranes. PMID:24060565

Neural Correlates of Appetite and Hunger-Related Evaluative Judgments

PubMed Central

Piech, Richard M.; Lewis, Jade; Parkinson, Caroline H.; Owen, Adrian M.; Roberts, Angela C.; Downing, Paul E.; Parkinson, John A.

2009-01-01

How much we desire a meal depends on both the constituent foods and how hungry we are, though not every meal becomes more desirable with increasing hunger. The brain therefore needs to be able to integrate hunger and meal properties to compute the correct incentive value of a meal. The present study investigated the functional role of the amygdala and the orbitofrontal cortex in mediating hunger and dish attractiveness. Furthermore, it explored neural responses to dish descriptions particularly susceptible to value-increase following fasting. We instructed participants to rate how much they wanted food menu items while they were either hungry or sated, and compared the rating differences in these states. Our results point to the representation of food value in the amygdala, and to an integration of attractiveness with hunger level in the orbitofrontal cortex. Dishes particularly desirable during hunger activated the thalamus and the insula. Our results specify the functions of evaluative structures in the context of food attractiveness, and point to a complex neural representation of dish qualities which contribute to state-dependent value. PMID:19672296

Neural correlates of appetite and hunger-related evaluative judgments.

PubMed

Piech, Richard M; Lewis, Jade; Parkinson, Caroline H; Owen, Adrian M; Roberts, Angela C; Downing, Paul E; Parkinson, John A

2009-08-12

How much we desire a meal depends on both the constituent foods and how hungry we are, though not every meal becomes more desirable with increasing hunger. The brain therefore needs to be able to integrate hunger and meal properties to compute the correct incentive value of a meal. The present study investigated the functional role of the amygdala and the orbitofrontal cortex in mediating hunger and dish attractiveness. Furthermore, it explored neural responses to dish descriptions particularly susceptible to value-increase following fasting. We instructed participants to rate how much they wanted food menu items while they were either hungry or sated, and compared the rating differences in these states. Our results point to the representation of food value in the amygdala, and to an integration of attractiveness with hunger level in the orbitofrontal cortex. Dishes particularly desirable during hunger activated the thalamus and the insula. Our results specify the functions of evaluative structures in the context of food attractiveness, and point to a complex neural representation of dish qualities which contribute to state-dependent value.

Generalized self-adjustment method for statistical mechanics of composite materials

NASA Astrophysics Data System (ADS)

Pan'kov, A. A.

1997-03-01

A new method is developed for the statistical mechanics of composite materials — the generalized selfadjustment method — which makes it possible to reduce the problem of predicting effective elastic properties of composites with random structures to the solution of two simpler "averaged" problems of an inclusion with transitional layers in a medium with the desired effective elastic properties. The inhomogeneous elastic properties and dimensions of the transitional layers take into account both the "approximate" order of mutual positioning, and also the variation in the dimensions and elastics properties of inclusions through appropriate special averaged indicator functions of the random structure of the composite. A numerical calculation of averaged indicator functions and effective elastic characteristics is performed by the generalized self-adjustment method for a unidirectional fiberglass on the basis of various models of actual random structures in the plane of isotropy.

Identification of Novel "Inks" for 3D Printing Using High-Throughput Screening: Bioresorbable Photocurable Polymers for Controlled Drug Delivery.

PubMed

Louzao, Iria; Koch, Britta; Taresco, Vincenzo; Ruiz-Cantu, Laura; Irvine, Derek J; Roberts, Clive J; Tuck, Christopher; Alexander, Cameron; Hague, Richard; Wildman, Ricky; Alexander, Morgan R

2018-02-28

A robust methodology is presented to identify novel biomaterials suitable for three-dimensional (3D) printing. Currently, the application of additive manufacturing is limited by the availability of functional inks, especially in the area of biomaterials; this is the first time when this method is used to tackle this problem, allowing hundreds of formulations to be readily assessed. Several functional properties, including the release of an antidepressive drug (paroxetine), cytotoxicity, and printability, are screened for 253 new ink formulations in a high-throughput format as well as mechanical properties. The selected candidates with the desirable properties are successfully scaled up using 3D printing into a range of object architectures. A full drug release study and degradability and tensile modulus experiments are presented on a simple architecture to validating the suitability of this methodology to identify printable inks for 3D printing devices with bespoke properties.

Multiscale Modeling of Carbon Nanotube-Epoxy Nanocomposites

NASA Astrophysics Data System (ADS)

Fasanella, Nicholas A.

Epoxy-composites are widely used in the aerospace industry. In order to improve upon stiffness and thermal conductivity; carbon nanotube additives to epoxies are being explored. This dissertation presents multiscale modeling techniques to study the engineering properties of single walled carbon nanotube (SWNT)-epoxy nanocomposites, consisting of pristine and covalently functionalized systems. Using Molecular Dynamics (MD), thermomechanical properties were calculated for a representative polymer unit cell. Finite Element (FE) and orientation distribution function (ODF) based methods were used in a multiscale framework to obtain macroscale properties. An epoxy network was built using the dendrimer growth approach. The epoxy model was verified by matching the experimental glass transition temperature, density, and dilatation. MD, via the constant valence force field (CVFF), was used to explore the mechanical and dilatometric effects of adding pristine and functionalized SWNTs to epoxy. Full stiffness matrices and linear coefficient of thermal expansion vectors were obtained. The Green-Kubo method was used to investigate the thermal conductivity as a function of temperature for the various nanocomposites. Inefficient phonon transport at the ends of nanotubes is an important factor in the thermal conductivity of the nanocomposites, and for this reason discontinuous nanotubes were modeled in addition to long nanotubes. To obtain continuum-scale elastic properties from the MD data, multiscale modeling was considered to give better control over the volume fraction of nanotubes, and investigate the effects of nanotube alignment. Two methods were considered; an FE based method, and an ODF based method. The FE method probabilistically assigned elastic properties of elements from the MD lattice results based on the desired volume fraction and alignment of the nanotubes. For the ODF method, a distribution function was generated based on the desired amount of nanotube alignment; and the stiffness matrix was calculated. A rule of mixture approach was implemented in the ODF model to vary the SWNT volume fraction. Both the ODF and FE models are compared and contrasted. ODF analysis is significantly faster for nanocomposites and is a novel contribution in this thesis. Multiscale modeling allows for the effects of nanofillers in epoxy systems to be characterized without having to run costly experiments.

Evolutionary Algorithms for Boolean Functions in Diverse Domains of Cryptography.

PubMed

Picek, Stjepan; Carlet, Claude; Guilley, Sylvain; Miller, Julian F; Jakobovic, Domagoj

2016-01-01

The role of Boolean functions is prominent in several areas including cryptography, sequences, and coding theory. Therefore, various methods for the construction of Boolean functions with desired properties are of direct interest. New motivations on the role of Boolean functions in cryptography with attendant new properties have emerged over the years. There are still many combinations of design criteria left unexplored and in this matter evolutionary computation can play a distinct role. This article concentrates on two scenarios for the use of Boolean functions in cryptography. The first uses Boolean functions as the source of the nonlinearity in filter and combiner generators. Although relatively well explored using evolutionary algorithms, it still presents an interesting goal in terms of the practical sizes of Boolean functions. The second scenario appeared rather recently where the objective is to find Boolean functions that have various orders of the correlation immunity and minimal Hamming weight. In both these scenarios we see that evolutionary algorithms are able to find high-quality solutions where genetic programming performs the best.

Mixtures of amino-acid based ionic liquids and water.

PubMed

Chaban, Vitaly V; Fileti, Eudes Eterno

2015-09-01

New ionic liquids (ILs) involving increasing numbers of organic and inorganic ions are continuously being reported. We recently developed a new force field; in the present work, we applied that force field to investigate the structural properties of a few novel imidazolium-based ILs in aqueous mixtures via molecular dynamics (MD) simulations. Using cluster analysis, radial distribution functions, and spatial distribution functions, we argue that organic ions (imidazolium, deprotonated alanine, deprotonated methionine, deprotonated tryptophan) are well dispersed in aqueous media, irrespective of the IL content. Aqueous dispersions exhibit desirable properties for chemical engineering. The ILs exist as ion pairs in relatively dilute aqueous mixtures (10 mol%), while more concentrated mixtures feature a certain amount of larger ionic aggregates.

Design and production of functionalized biopolyesters by Methylobacterium extorquens ATCC 55366: Toward new tissue engineering materials

NASA Astrophysics Data System (ADS)

Hoefer, Heinrich Friedrich Philipp Till Nikolaus

Vascular networks are required to support the formation and function of three-dimensional tissues. Biodegradable scaffolds are being considered in order to promote vascularization where natural regeneration of lost or destroyed vascular networks fails. Particularly; composite materials are expected to fulfill the complex demands of a patient's body to support wound healing. Microbial biopolyesters are being regarded as such second and third generation biomaterials. Methylobacterium extorquens is one of several microorganisms that should be considered for the production of advanced polyhydroxyalkanoates (PHAs). M. extorquens displays a distinct advantage in that it is able to utilize methanol as an inexpensive substrate for growth and biopolyester production. The design of functionalized PHAs, which would be made of both saturated short-chain-length (scl, C ≤ 5) and unsaturated medium-chain-length (mcl, 6 ≤ C ≤ 14) monomeric units, aimed at combining desirable material properties of inert scl/mcl-PHAs with those of functionalized mcl-PHAs. By independently inserting the phaC1 or the phaC2 gene from Pseudomonas fluorescens GK13, recombinant M. extorquens strains were obtained which were capable of producing PHAs containing C-C double bonds. A fermentation process was developed to obtain gram quantities of biopolyesters employing the recombinant M. extorquens ATCC 55366 strain which harbored the phaC2 gene of P. fluorescens GK13, the better one of the two strains at incorporating unsaturated monomeric units. The PHAs produced were found in a blend of scl-PHAs and functionalized scl/mcl-PHAs (4 ≤ C ≤ 6), which were the products of the native and of the recombinant PHA synthase, respectively. Thermo-mechanical analysis confirmed that the functionalized scl/mcl-PHAs exhibited the desirable material properties expected. This project contributed to current research on polyhydroxyalkanoates at different levels. The terminal double bonds of the functionalized scl/mcl-PHAs are amenable to chemical modifications and could be transformed into reactive functional groups for covalently linking other biomacromolecules. It is anticipated that these biopolyesters will be utilized as tissue engineering materials in the future, due to their functionality and thermo-mechanical properties. Keywords: biopolyesters, functionalized polyhydroxyalkanoates, Methylobacterium extorquens, genetic modification, fermentation in pilot-scale operators, material characterization, thermo-mechanical properties, tissue engineering

Recombinant spider silk genetically functionalized with affinity domains.

PubMed

Jansson, Ronnie; Thatikonda, Naresh; Lindberg, Diana; Rising, Anna; Johansson, Jan; Nygren, Per-Åke; Hedhammar, My

2014-05-12

Functionalization of biocompatible materials for presentation of active protein domains is an area of growing interest. Herein, we describe a strategy for functionalization of recombinant spider silk via gene fusion to affinity domains of broad biotechnological use. Four affinity domains of different origin and structure; the IgG-binding domains Z and C2, the albumin-binding domain ABD, and the biotin-binding domain M4, were all successfully produced as soluble silk fusion proteins under nondenaturing purification conditions. Silk films and fibers produced from the fusion proteins were demonstrated to be chemically and thermally stable. Still, the bioactive domains are concluded to be folded and accessible, since their respective targets could be selectively captured from complex samples, including rabbit serum and human plasma. Interestingly, materials produced from mixtures of two different silk fusion proteins displayed combined binding properties, suggesting that tailor-made materials with desired stoichiometry and surface distributions of several binding domains can be produced. Further, use of the IgG binding ability as a general mean for presentation of desired biomolecules could be demonstrated for a human vascular endothelial growth factor (hVEGF) model system, via a first capture of anti-VEGF IgG to silk containing the Z-domain, followed by incubation with hVEGF. Taken together, this study demonstrates the potential of recombinant silk, genetically functionalized with affinity domains, for construction of biomaterials capable of presentation of almost any desired biomolecule.

Low-Temperature Plasma Functionalization of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Khare, Bishun; Meyyappan, M.

2004-01-01

A low-temperature plasma process has been devised for attaching specified molecular groups to carbon nanotubes in order to impart desired chemical and/or physical properties to the nanotubes for specific applications. Unlike carbon-nanotube- functionalization processes reported heretofore, this process does not involve the use of wet chemicals, does not involve exposure of the nanotubes to high temperatures, and generates very little chemical residue. In addition, this process can be carried out in a relatively simple apparatus and can readily be scaled up to mass production.

Effect of Additives on Green Sand Molding Properties using Design of Experiments and Taguchi's Quality Loss Function - An Experimental Study

NASA Astrophysics Data System (ADS)

Desai, Bhagyashree; Mokashi, Pavani; Anand, R. L.; Burli, S. B.; Khandal, S. V.

2016-09-01

The experimental study aims to underseek the effect of various additives on the green sand molding properties as a particular combination of additives could yield desired sand properties. The input parameters (factors) selected were water and powder (Fly ash, Coconut shell and Tamarind) in three levels. Experiments were planned using design of experiments (DOE). On the basis of plans, experiments were conducted to understand the behavior of sand mould properties such as compression strength, shear strength, permeability number with various additives. From the experimental results it could be concluded that the factors have significant effect on the sand properties as P-value found to be less than 0.05 for all the cases studied. The optimization based on quality loss function was also performed. The study revealed that the quality loss associated with the tamarind powder was lesser compared to other additives selected for the study. The optimization based on quality loss function and the parametric analysis using ANOVA suggested that the tamarind powder of 8 gm per Kg of molding sand and moisture content of 7% yield better properties to obtain sound castings.

Porous materials with pre-designed single-molecule traps for CO2 selective adsorption

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, JR; Yu, JM; Lu, WG

2013-02-26

Despite tremendous efforts, precise control in the synthesis of porous materials with pre-designed pore properties for desired applications remains challenging. Newly emerged porous metal-organic materials, such as metal-organic polyhedra and metal-organic frameworks, are amenable to design and property tuning, enabling precise control of functionality by accurate design of structures at the molecular level. Here we propose and validate, both experimentally and computationally, a precisely designed cavity, termed a 'single-molecule trap', with the desired size and properties suitable for trapping target CO2 molecules. Such a single-molecule trap can strengthen CO2-host interactions without evoking chemical bonding, thus showing potential for CO2 capture.more » Molecular single-molecule traps in the form of metal-organic polyhedra are designed, synthesised and tested for selective adsorption of CO2 over N-2 and CH4, demonstrating the trapping effect. Building these pre-designed single-molecule traps into extended frameworks yields metal-organic frameworks with efficient mass transfer, whereas the CO2 selective adsorption nature of single-molecule traps is preserved.« less

Formal analysis of imprecise system requirements with Event-B.

PubMed

Le, Hong Anh; Nakajima, Shin; Truong, Ninh Thuan

2016-01-01

Formal analysis of functional properties of system requirements needs precise descriptions. However, the stakeholders sometimes describe the system with ambiguous, vague or fuzzy terms, hence formal frameworks for modeling and verifying such requirements are desirable. The Fuzzy If-Then rules have been used for imprecise requirements representation, but verifying their functional properties still needs new methods. In this paper, we propose a refinement-based modeling approach for specification and verification of such requirements. First, we introduce a representation of imprecise requirements in the set theory. Then we make use of Event-B refinement providing a set of translation rules from Fuzzy If-Then rules to Event-B notations. After that, we show how to verify both safety and eventuality properties with RODIN/Event-B. Finally, we illustrate the proposed method on the example of Crane Controller.

New keratin isolates: actives for natural hair protection.

PubMed

Roddick-Lanzilotta, Alisa; Kelly, Rob; Scott, Sonya; Chahal, Surinder

2007-01-01

Hair is primarily composed of keratin proteins and it is well established that peptides and proteins bestow desirable effects on the hair, for example improving moisturization and softness. In the present work we describe how keratin actives with unique properties convey a range of beneficial properties to a variety of hair types. It has been observed that these functional keratins protect hair from damage associated with chemical treatments such as perming and relaxation, help to restore the mechanical strength of damaged fibers and decrease fading of colored hair.

Fukunaga-Koontz transform based dimensionality reduction for hyperspectral imagery

NASA Astrophysics Data System (ADS)

Ochilov, S.; Alam, M. S.; Bal, A.

2006-05-01

Fukunaga-Koontz Transform based technique offers some attractive properties for desired class oriented dimensionality reduction in hyperspectral imagery. In FKT, feature selection is performed by transforming into a new space where feature classes have complimentary eigenvectors. Dimensionality reduction technique based on these complimentary eigenvector analysis can be described under two classes, desired class and background clutter, such that each basis function best represent one class while carrying the least amount of information from the second class. By selecting a few eigenvectors which are most relevant to desired class, one can reduce the dimension of hyperspectral cube. Since the FKT based technique reduces data size, it provides significant advantages for near real time detection applications in hyperspectral imagery. Furthermore, the eigenvector selection approach significantly reduces computation burden via the dimensionality reduction processes. The performance of the proposed dimensionality reduction algorithm has been tested using real-world hyperspectral dataset.

Methods of Constructing a Blended Performance Function Suitable for Formation Flight

NASA Technical Reports Server (NTRS)

Ryan, John J.

2017-01-01

This paper presents two methods for constructing an approximate performance function of a desired parameter using correlated parameters. The methods are useful when real-time measurements of a desired performance function are not available to applications such as extremum-seeking control systems. The first method approximates an a priori measured or estimated desired performance function by combining real-time measurements of readily available correlated parameters. The parameters are combined using a weighting vector determined from a minimum-squares optimization to form a blended performance function. The blended performance function better matches the desired performance function mini- mum than single-measurement performance functions. The second method expands upon the first by replacing the a priori data with near-real-time measurements of the desired performance function. The resulting blended performance function weighting vector is up- dated when measurements of the desired performance function are available. Both methods are applied to data collected during formation- flight-for-drag-reduction flight experiments.

Inventing and improving ribozyme function: rational design versus iterative selection methods

NASA Technical Reports Server (NTRS)

Breaker, R. R.; Joyce, G. F.

1994-01-01

Two major strategies for generating novel biological catalysts exist. One relies on our knowledge of biopolymer structure and function to aid in the 'rational design' of new enzymes. The other, often called 'irrational design', aims to generate new catalysts, in the absence of detailed physicochemical knowledge, by using selection methods to search a library of molecules for functional variants. Both strategies have been applied, with considerable success, to the remodeling of existing ribozymes and the development of ribozymes with novel catalytic function. The two strategies are by no means mutually exclusive, and are best applied in a complementary fashion to obtain ribozymes with the desired catalytic properties.

Quantitative estimation of pesticide-likeness for agrochemical discovery.

PubMed

Avram, Sorin; Funar-Timofei, Simona; Borota, Ana; Chennamaneni, Sridhar Rao; Manchala, Anil Kumar; Muresan, Sorel

2014-12-01

The design of chemical libraries, an early step in agrochemical discovery programs, is frequently addressed by means of qualitative physicochemical and/or topological rule-based methods. The aim of this study is to develop quantitative estimates of herbicide- (QEH), insecticide- (QEI), fungicide- (QEF), and, finally, pesticide-likeness (QEP). In the assessment of these definitions, we relied on the concept of desirability functions. We found a simple function, shared by the three classes of pesticides, parameterized particularly, for six, easy to compute, independent and interpretable, molecular properties: molecular weight, logP, number of hydrogen bond acceptors, number of hydrogen bond donors, number of rotatable bounds and number of aromatic rings. Subsequently, we describe the scoring of each pesticide class by the corresponding quantitative estimate. In a comparative study, we assessed the performance of the scoring functions using extensive datasets of patented pesticides. The hereby-established quantitative assessment has the ability to rank compounds whether they fail well-established pesticide-likeness rules or not, and offer an efficient way to prioritize (class-specific) pesticides. These findings are valuable for the efficient estimation of pesticide-likeness of vast chemical libraries in the field of agrochemical discovery. Graphical AbstractQuantitative models for pesticide-likeness were derived using the concept of desirability functions parameterized for six, easy to compute, independent and interpretable, molecular properties: molecular weight, logP, number of hydrogen bond acceptors, number of hydrogen bond donors, number of rotatable bounds and number of aromatic rings.

Protein mechanics: from single molecules to functional biomaterials.

PubMed

Li, Hongbin; Cao, Yi

2010-10-19

Elastomeric proteins act as the essential functional units in a wide variety of biomechanical machinery and serve as the basic building blocks for biological materials that exhibit superb mechanical properties. These proteins provide the desired elasticity, mechanical strength, resilience, and toughness within these materials. Understanding the mechanical properties of elastomeric protein-based biomaterials is a multiscale problem spanning from the atomistic/molecular level to the macroscopic level. Uncovering the design principles of individual elastomeric building blocks is critical both for the scientific understanding of multiscale mechanics of biomaterials and for the rational engineering of novel biomaterials with desirable mechanical properties. The development of single-molecule force spectroscopy techniques has provided methods for characterizing mechanical properties of elastomeric proteins one molecule at a time. Single-molecule atomic force microscopy (AFM) is uniquely suited to this purpose. Molecular dynamic simulations, protein engineering techniques, and single-molecule AFM study have collectively revealed tremendous insights into the molecular design of single elastomeric proteins, which can guide the design and engineering of elastomeric proteins with tailored mechanical properties. Researchers are focusing experimental efforts toward engineering artificial elastomeric proteins with mechanical properties that mimic or even surpass those of natural elastomeric proteins. In this Account, we summarize our recent experimental efforts to engineer novel artificial elastomeric proteins and develop general and rational methodologies to tune the nanomechanical properties of elastomeric proteins at the single-molecule level. We focus on general design principles used for enhancing the mechanical stability of proteins. These principles include the development of metal-chelation-based general methodology, strategies to control the unfolding hierarchy of multidomain elastomeric proteins, and the design of novel elastomeric proteins that exhibit stimuli-responsive mechanical properties. Moving forward, we are now exploring the use of these artificial elastomeric proteins as building blocks of protein-based biomaterials. Ultimately, we would like to rationally tailor mechanical properties of elastomeric protein-based materials by programming the molecular sequence, and thus nanomechanical properties, of elastomeric proteins at the single-molecule level. This step would help bridge the gap between single protein mechanics and material biomechanics, revealing how the mechanical properties of individual elastomeric proteins are translated into the properties of macroscopic materials.

Controlling the rectification properties of molecular junctions through molecule–electrode coupling

DOE PAGES

Koepf, Matthieu; Koenigsmann, Christopher; Ding, Wendu; ...

2016-08-17

The development of molecular components functioning as switches, rectifiers or amplifiers is a great challenge in molecular electronics. A desirable property of such components is functional robustness, meaning that the intrinsic functionality of components must be preserved regardless of the strategy used to integrate them into the final assemblies. Here, this issue is investigated for molecular diodes based on N-phenylbenzamide (NPBA) backbones. The transport properties of molecular junctions derived from NPBA are characterized while varying the nature of the functional groups interfacing the backbone and the gold electrodes required for break-junction measurements. Furthermore, combining experimental and theoretical methods, it ismore » shown that at low bias (<0.85 V) transport is determined by the same frontier molecular orbital originating from the NPBA core, regardless of the anchoring group employed. The magnitude of rectification, however, is strongly dependent on the strength of the electronic coupling at the gold–NPBA interface and on the spatial distribution of the local density of states of the dominant transport channel of the molecular junction.« less

Controlling the rectification properties of molecular junctions through molecule–electrode coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koepf, Matthieu; Koenigsmann, Christopher; Ding, Wendu

The development of molecular components functioning as switches, rectifiers or amplifiers is a great challenge in molecular electronics. A desirable property of such components is functional robustness, meaning that the intrinsic functionality of components must be preserved regardless of the strategy used to integrate them into the final assemblies. Here, this issue is investigated for molecular diodes based on N-phenylbenzamide (NPBA) backbones. The transport properties of molecular junctions derived from NPBA are characterized while varying the nature of the functional groups interfacing the backbone and the gold electrodes required for break-junction measurements. Furthermore, combining experimental and theoretical methods, it ismore » shown that at low bias (<0.85 V) transport is determined by the same frontier molecular orbital originating from the NPBA core, regardless of the anchoring group employed. The magnitude of rectification, however, is strongly dependent on the strength of the electronic coupling at the gold–NPBA interface and on the spatial distribution of the local density of states of the dominant transport channel of the molecular junction.« less

Engineered Proteins: Redox Properties and Their Applications

PubMed Central

Prabhulkar, Shradha; Tian, Hui; Wang, Xiaotang; Zhu, Jun-Jie

2012-01-01

Abstract Oxidoreductases and metalloproteins, representing more than one third of all known proteins, serve as significant catalysts for numerous biological processes that involve electron transfers such as photosynthesis, respiration, metabolism, and molecular signaling. The functional properties of the oxidoreductases/metalloproteins are determined by the nature of their redox centers. Protein engineering is a powerful approach that is used to incorporate biological and abiological redox cofactors as well as novel enzymes and redox proteins with predictable structures and desirable functions for important biological and chemical applications. The methods of protein engineering, mainly rational design, directed evolution, protein surface modifications, and domain shuffling, have allowed the creation and study of a number of redox proteins. This review presents a selection of engineered redox proteins achieved through these methods, resulting in a manipulation in redox potentials, an increase in electron-transfer efficiency, and an expansion of native proteins by de novo design. Such engineered/modified redox proteins with desired properties have led to a broad spectrum of practical applications, ranging from biosensors, biofuel cells, to pharmaceuticals and hybrid catalysis. Glucose biosensors are one of the most successful products in enzyme electrochemistry, with reconstituted glucose oxidase achieving effective electrical communication with the sensor electrode; direct electron-transfer-type biofuel cells are developed to avoid thermodynamic loss and mediator leakage; and fusion proteins of P450s and redox partners make the biocatalytic generation of drug metabolites possible. In summary, this review includes the properties and applications of the engineered redox proteins as well as their significance and great potential in the exploration of bioelectrochemical sensing devices. Antioxid. Redox Signal. 17, 1796–1822. PMID:22435347

Chromatographic analysis of the reaction of soy flour with formaldehyde and phenol for wood adhesives

Treesearch

Linda F. Lorenz; Charles R. Frihart; James M. Wescott

2007-01-01

The desire to make more biobased and lower-cost bonded wood products has led to an interest in replacing some phenol and formaldehyde in wood adhesives with soybean flour. Improved knowledge of the soy protein properties is needed to relate resin chemistry to resin performance before and after wood bonding. To expose the soy protein’s functional groups, it...

Quality by design: optimization of a liquid filled pH-responsive macroparticles using Draper-Lin composite design.

PubMed

Rafati, Hasan; Talebpour, Zahra; Adlnasab, Laleh; Ebrahimi, Samad Nejad

2009-07-01

In this study, pH responsive macroparticles incorporating peppermint oil (PO) were prepared using a simple emulsification/polymer precipitation technique. The formulations were examined for their properties and the desired quality was then achieved using a quality by design (QBD) approach. For this purpose, a Draper-Lin small composite design study was employed in order to investigate the effect of four independent variables, including the PO to water ratio, the concentration of pH sensitive polymer (hydroxypropyl methylcellulose phthalate), acid and plasticizer concentrations, on the encapsulation efficiency and PO loading. The analysis of variance showed that the polymer concentration was the most important variable on encapsulation efficiency (p < 0.05). The multiple regression analysis of the results led to equations that adequately described the influence of the independent variables on the selected responses. Furthermore, the desirability function was employed as an effective tool for transforming each response separately and encompassing all of these responses in an overall desirability function for global optimization of the encapsulation process. The optimized macroparticles were predicted to yield 93.4% encapsulation efficiency and 72.8% PO loading, which were remarkably close to the experimental values of 89.2% and 69.5%, consequently.

Aerogel Hybrid Composite Materials: Designs and Testing for Multifunctional Applications

NASA Technical Reports Server (NTRS)

Williams, Martha K.; Fesmire, James E.

2016-01-01

This webinar will introduce the broad spectrum of aerogel composites and their diverse performance properties such as reduced heat transfer to energy storage, and expands specifically on the aerogel/fiber laminate systems and testing methodologies. The multi-functional laminate composite system, AeroFiber, and its construction is designed by varying the type of fiber (e.g. polyester, carbon, Kevlar®, Spectra® or Innegral(TradeMark) and combinations thereof), the aerogel panel type and thickness, and overall layup configuration. The combination and design of materials may be customized and tailored to achieve a range of desired properties in the resulting laminate system. Multi-functional properties include structural strength, impact resistance, reduction in heat transfer, increased fire resistance, mechanical energy absorption, and acoustic energy dampening. Applications include aerospace, aircraft, automotive, boating, building and construction, lightweight portable structures, liquefied natural gas, cryogenics, transportation and energy, sporting equipment, and military protective gear industries.

Phononic Crystal Tunable via Ferroelectric Phase Transition

NASA Astrophysics Data System (ADS)

Xu, Chaowei; Cai, Feiyan; Xie, Shuhong; Li, Fei; Sun, Rong; Fu, Xianzhu; Xiong, Rengen; Zhang, Yi; Zheng, Hairong; Li, Jiangyu

2015-09-01

Phononic crystals (PCs) consisting of periodic materials with different acoustic properties have potential applications in functional devices. To realize more smart functions, it is desirable to actively control the properties of PCs on demand, ideally within the same fabricated system. Here, we report a tunable PC made of Ba0.7Sr0.3Ti O3 (BST) ceramics, wherein a 20-K temperature change near room temperature results in a 20% frequency shift in the transmission spectra induced by a ferroelectric phase transition. The tunability phenomenon is attributed to the structure-induced resonant excitation of A0 and A1 Lamb modes that exist intrinsically in the uniform BST plate, while these Lamb modes are sensitive to the elastic properties of the plate and can be modulated by temperature in a BST plate around the Curie temperature. The study finds opportunities for creating tunable PCs and enables smart temperature-tuned devices such as the Lamb wave filter or sensor.

Functionalizing CNTs for Making Epoxy/CNT Composites

NASA Technical Reports Server (NTRS)

Chen, Jian; Rajagopal, Ramasubramaniam

2009-01-01

Functionalization of carbon nanotubes (CNTs) with linear molecular side chains of polyphenylene ether (PPE) has been shown to be effective in solubilizing the CNTs in the solvent components of solutions that are cast to make epoxy/CNT composite films. (In the absence of solubilization, the CNTs tend to clump together instead of becoming dispersed in solution as needed to impart, to the films, the desired CNT properties of electrical conductivity and mechanical strength.) Because the PPE functionalizes the CNTs in a noncovalent manner, the functionalization does not damage the CNTs. The functionalization can also be exploited to improve the interactions between CNTs and epoxy matrices to enhance the properties of the resulting composite films. In addition to the CNTs, solvent, epoxy resin, epoxy hardener, and PPE, a properly formulated solution also includes a small amount of polycarbonate, which serves to fill voids that, if allowed to remain, would degrade the performance of the film. To form the film, the solution is drop-cast or spin-cast, then the solvent is allowed to evaporate.

Surface Estimation, Variable Selection, and the Nonparametric Oracle Property.

PubMed

Storlie, Curtis B; Bondell, Howard D; Reich, Brian J; Zhang, Hao Helen

2011-04-01

Variable selection for multivariate nonparametric regression is an important, yet challenging, problem due, in part, to the infinite dimensionality of the function space. An ideal selection procedure should be automatic, stable, easy to use, and have desirable asymptotic properties. In particular, we define a selection procedure to be nonparametric oracle (np-oracle) if it consistently selects the correct subset of predictors and at the same time estimates the smooth surface at the optimal nonparametric rate, as the sample size goes to infinity. In this paper, we propose a model selection procedure for nonparametric models, and explore the conditions under which the new method enjoys the aforementioned properties. Developed in the framework of smoothing spline ANOVA, our estimator is obtained via solving a regularization problem with a novel adaptive penalty on the sum of functional component norms. Theoretical properties of the new estimator are established. Additionally, numerous simulated and real examples further demonstrate that the new approach substantially outperforms other existing methods in the finite sample setting.

Surface Estimation, Variable Selection, and the Nonparametric Oracle Property

PubMed Central

Storlie, Curtis B.; Bondell, Howard D.; Reich, Brian J.; Zhang, Hao Helen

2010-01-01

Variable selection for multivariate nonparametric regression is an important, yet challenging, problem due, in part, to the infinite dimensionality of the function space. An ideal selection procedure should be automatic, stable, easy to use, and have desirable asymptotic properties. In particular, we define a selection procedure to be nonparametric oracle (np-oracle) if it consistently selects the correct subset of predictors and at the same time estimates the smooth surface at the optimal nonparametric rate, as the sample size goes to infinity. In this paper, we propose a model selection procedure for nonparametric models, and explore the conditions under which the new method enjoys the aforementioned properties. Developed in the framework of smoothing spline ANOVA, our estimator is obtained via solving a regularization problem with a novel adaptive penalty on the sum of functional component norms. Theoretical properties of the new estimator are established. Additionally, numerous simulated and real examples further demonstrate that the new approach substantially outperforms other existing methods in the finite sample setting. PMID:21603586

Natural biopolymer-based nanocomposite films for packaging applications.

PubMed

Rhim, Jong-Whan; Ng, Perry K W

2007-01-01

Concerns on environmental waste problems caused by non-biodegradable petrochemical-based plastic packaging materials as well as the consumer's demand for high quality food products has caused an increasing interest in developing biodegradable packaging materials using annually renewable natural biopolymers such as polysaccharides and proteins. Inherent shortcomings of natural polymer-based packaging materials such as low mechanical properties and low water resistance can be recovered by applying a nanocomposite technology. Polymer nanocomposites, especially natural biopolymer-layered silicate nanocomposites, exhibit markedly improved packaging properties due to their nanometer size dispersion. These improvements include increased modulus and strength, decreased gas permeability, and increased water resistance. Additionally, biologically active ingredients can be added to impart the desired functional properties to the resulting packaging materials. Consequently, natural biopolymer-based nanocomposite packaging materials with bio-functional properties have a huge potential for application in the active food packaging industry. In this review, recent advances in the preparation of natural biopolymer-based films and their nanocomposites, and their potential use in packaging applications are addressed.

Comparative study of the functional properties of three legume seed isolates: adzuki, pea and soy bean.

PubMed

Barac, Miroljub B; Pesic, Mirjana B; Stanojevic, Sladjana P; Kostic, Aleksandar Z; Bivolarevic, Vanja

2015-05-01

The aim of this work was to compare functional properties including solubility, emulsifying and foaming properties of native and thermally treated adzuki, soy and pea protein isolates prepared under the same conditions. These functional properties were tested at four pH values: pH 3.0, pH 5.0, pH 7.0 and pH 8.0. The lowest solubility at all pH values were obtained for isolate of adzuki whereas isolates of soybean had the highest values at almost all pHs. Thermal treatment reduced solubility of soy and pea isolates at all pH values, whereas solubility of adzuki isolate was unchanged, except at pH 8. Native isolate of adzuki had the best emulsifying properties at pH 7.0 whereas at the other pH values some of native pea and soybean protein isolates were superior. After thermal treatment, depending on tested pH and selected variety all of three species could be a good emulsifier. Native soy protein isolates formed the most stable foams at all pHs. Thermal treatment significantly improved foaming properties of adzuki isolate, whereas reduced foaming capacity of soy and pea isolates, but could improve foam stability of these isolates at specific pH. Appropriate selection of legume seed as well as variety could have great importance in achievement of desirable functional properties of final products. All three tested species could find specific application in wide range of food products.

Bioinspired Functional Surfaces for Technological Applications

NASA Astrophysics Data System (ADS)

Sharma, Vipul; Kumar, Suneel; Reddy, Kumbam Lingeshwar; Bahuguna, Ashish; Krishnan, Venkata

2016-08-01

Biological matters have been in continuous encounter with extreme environmental conditions leading to their evolution over millions of years. The fittest have survived through continuous evolution, an ongoing process. Biological surfaces are the important active interfaces between biological matters and the environment, and have been evolving over time to a higher state of intelligent functionality. Bioinspired surfaces with special functionalities have grabbed attention in materials research in the recent times. The microstructures and mechanisms behind these functional biological surfaces with interesting properties have inspired scientists to create artificial materials and surfaces which possess the properties equivalent to their counterparts. In this review, we have described the interplay between unique multiscale (micro- and nano-scale) structures of biological surfaces with intrinsic material properties which have inspired researchers to achieve the desired wettability and functionalities. Inspired by naturally occurring surfaces, researchers have designed and fabricated novel interfacial materials with versatile functionalities and wettability, such as superantiwetting surfaces (superhydrophobic and superoleophobic), omniphobic, switching wettability and water collecting surfaces. These strategies collectively enable functional surfaces to be utilized in different applications such as fog harvesting, surface-enhanced Raman spectroscopy (SERS), catalysis, sensing and biological applications. This paper delivers a critical review of such inspiring biological surfaces and artificial bioinspired surfaces utilized in different applications, where material science and engineering have merged by taking inspiration from the natural systems.

Non-covalently functionalized carbon nanostructures for synthesizing carbon-based hybrid nanomaterials.

PubMed

Li, Haiqing; Song, Sing I; Song, Ga Young; Kim, Il

2014-02-01

Carbon nanostructures (CNSs) such as carbon nanotubes, graphene sheets, and nanodiamonds provide an important type of substrate for constructing a variety of hybrid nanomaterials. However, their intrinsic chemistry-inert surfaces make it indispensable to pre-functionalize them prior to immobilizing additional components onto their surfaces. Currently developed strategies for functionalizing CNSs include covalent and non-covalent approaches. Conventional covalent treatments often damage the structure integrity of carbon surfaces and adversely affect their physical properties. In contrast, the non-covalent approach offers a non-destructive way to modify CNSs with desired functional surfaces, while reserving their intrinsic properties. Thus far, a number of surface modifiers including aromatic compounds, small-molecular surfactants, amphiphilic polymers, and biomacromolecules have been developed to non-covalently functionalize CNS surfaces. Mediated by these surface modifiers, various functional components such as organic species and inorganic nanoparticles were further decorated onto their surfaces, resulting in versatile carbon-based hybrid nanomaterials with broad applications in chemical engineering and biomedical areas. In this review, the recent advances in the generation of such hybrid nanostructures based on non-covalently functionalized CNSs will be reviewed.

Applications of nanomaterials as vaccine adjuvants

PubMed Central

Zhu, Motao; Wang, Rongfu; Nie, Guangjun

2014-01-01

Vaccine adjuvants are applied to amplify the recipient's specific immune responses against pathogen infection or malignancy. A new generation of adjuvants is being developed to meet the demands for more potent antigen-specific responses, specific types of immune responses, and a high margin of safety. Nanotechnology provides a multifunctional stage for the integration of desired adjuvant activities performed by the building blocks of tailor-designed nanoparticles. Using nanomaterials for antigen delivery can provide high bioavailability, sustained and controlled release profiles, and targeting and imaging properties resulting from manipulation of the nanomaterials’ physicochemical properties. Moreover, the inherent immune-regulating activity of particular nanomaterials can further promote and shape the cellular and humoral immune responses toward desired types. The combination of both the delivery function and immunomodulatory effect of nanomaterials as adjuvants is thought to largely benefit the immune outcomes of vaccination. In this review, we will address the current achievements of nanotechnology in the development of novel adjuvants. The potential mechanisms by which nanomaterials impact the immune responses to a vaccine and how physicochemical properties, including size, surface charge and surface modification, impact their resulting immunological outcomes will be discussed. This review aims to provide concentrated information to promote new insights for the development of novel vaccine adjuvants. PMID:25483497

A novel method for biomaterial scaffold internal architecture design to match bone elastic properties with desired porosity.

PubMed

Lin, Cheng Yu; Kikuchi, Noboru; Hollister, Scott J

2004-05-01

An often-proposed tissue engineering design hypothesis is that the scaffold should provide a biomimetic mechanical environment for initial function and appropriate remodeling of regenerating tissue while concurrently providing sufficient porosity for cell migration and cell/gene delivery. To provide a systematic study of this hypothesis, the ability to precisely design and manufacture biomaterial scaffolds is needed. Traditional methods for scaffold design and fabrication cannot provide the control over scaffold architecture design to achieve specified properties within fixed limits on porosity. The purpose of this paper was to develop a general design optimization scheme for 3D internal scaffold architecture to match desired elastic properties and porosity simultaneously, by introducing the homogenization-based topology optimization algorithm (also known as general layout optimization). With an initial target for bone tissue engineering, we demonstrate that the method can produce highly porous structures that match human trabecular bone anisotropic stiffness using accepted biomaterials. In addition, we show that anisotropic bone stiffness may be matched with scaffolds of widely different porosity. Finally, we also demonstrate that prototypes of the designed structures can be fabricated using solid free-form fabrication (SFF) techniques.

Problems of the Synthesis of Radar Signals,

DTIC Science & Technology

1981-05-14

Unfortunately, the more ccmplete wcrk cf the same authors on the theme indicated (reference of 6 articles [43]) was not published. In the number of research cn...conditicns cf ore or tha other interferences. Some research of this type is [15]. But here, as when selecting of general/common/total apprcach tc the...this approach more rarely. set Y, characterized by the desired property, frequently contains continuous, analytic functions. Therefore research of

Organic Crystal Engineering of Thermosetting Cyanate Ester Monomers: Influence of Structure on Melting Point

DTIC Science & Technology

2016-05-27

often discussed in the field of thermosetting materials, crystal engineering1-4 plays a key role in facilitating the successful utilization of these...not to alter the desirable properties of the polymerized networks. Fortunately, the field of crystal engineering provides examples where even very...Chickos and Acree.26 For molecular modeling, methods ranging from atomistic simulations with semi-empirical force fields to density functional

An Advanced Electrospinning Method of Fabricating Nanofibrous Patterned Architectures with Controlled Deposition and Desired Alignment

NASA Astrophysics Data System (ADS)

Rasel, Sheikh Md

We introduce a versatile advanced method of electrospinning for fabricating various kinds of nanofibrous patterns along with desired alignment, controlled amount of deposition and locally variable density into the architectures. In this method, we employed multiple electrodes whose potentials have been altered in milliseconds with the help of microprocessor based control system. Therefore, key success of this method was that the electrical field as well as charge carrying fibers could be switched shortly from one electrode's location to another, as a result, electrospun fibers could be deposited on the designated areas with desired alignment. A wide range of nanofibrous patterned architectures were constructed using proper arrangement of multiple electrodes. By controlling the concurrent activation time of two adjacent electrodes, we demonstrated that amount of fibers going into the pattern can be adjusted and desired alignment in electrospun fibers can be obtained. We also revealed that the deposition density of electrospun fibers in different areas of patterned architectures can be varied. We showed that by controlling the deposition time between two adjacent electrodes, a number of functionally graded patterns can be generated with uniaxial alignment. We also demonstrated that this handy method was capable of producing random, aligned, and multidirectional nanofibrous mats by engaging a number of electrodes and switching them in desired patterns. A comprehensive study using finite element method was carried out to understand the effects of electrical field. Simulation results revealed that electrical field strength alters shortly based on electrode control switch patterns. Nanofibrous polyvinyl alcohol (PVA) scaffolds and its composite reinforced with wollastonite and wood flour were fabricated using rotating drum electrospinning technique. Morphological, mechanical, and thermal, properties were characterized on PVA/wollastonite and PVA/wood flour nanocomposites containing 0, 5, 10, and 20 wt % of fillers. Morphological analyses carried out by digital optical microscope, scanning electron microscopy, x-ray computed tomography, and Fourier transform infrared spectroscopy, confirmed the presence and well dispersion of fillers in the composites. In addition, improvement of mechanical properties with increased filler content further emphasized the adhesion between matrix and reinforcement. PVA with 20 wt % wollastonite composite exhibited the highest tensile strength (11.99 MPa) and tensile module (198 MPa) as compared to pure PVA (3.92 MPa and 83 MPa, respectively). Moreover, the thermal tests demonstrated that there is no major deviation in the thermal stability due to the addition of wollastonite in PVA scaffolds. Almost similar trend was observed in PVA/wood flour nanocomposites where tensile strength improved by 228 % for 20 wt % of reinforcement. The PVA/wollastonite and PVA/wood flour fibrous nanocomposite which poses higher mechanical properties might be potentially suitable for many advanced applications such as filtration, tissue engineering, and food processing. We believe this study will contribute to further scientific understanding of the patterning mechanism of electrospun nanofibers and to allow for variety of design of specific patterned nanofibrous architectures with desired functional properties. Therefore, this improved scheme of electrospinning can have significant impact in a broad range of applications including tissue engineering scaffolds, filtrations, and nanoelectronics.

Engineering building blocks for self-assembling protein nanoparticles

PubMed Central

2010-01-01

Like natural viruses, manmade protein cages for drug delivery are to be ideally formed by repetitive subunits with self-assembling properties, mimicking viral functions and molecular organization. Naturally formed nanostructures (such as viruses, flagella or simpler protein oligomers) can be engineered to acquire specific traits of interest in biomedicine, for instance through the addition of cell targeting agents for desired biodistribution and specific delivery of associated drugs. However, fully artificial constructs would be highly desirable regarding finest tuning and adaptation to precise therapeutic purposes. Although engineering of protein assembling is still in its infancy, arising principles and promising strategies of protein manipulation point out the rational construction of nanoscale protein cages as a feasible concept, reachable through conventional recombinant DNA technologies and microbial protein production. PMID:21192790

STEAM: a software tool based on empirical analysis for micro electro mechanical systems

NASA Astrophysics Data System (ADS)

Devasia, Archana; Pasupuleti, Ajay; Sahin, Ferat

2006-03-01

In this research a generalized software framework that enables accurate computer aided design of MEMS devices is developed. The proposed simulation engine utilizes a novel material property estimation technique that generates effective material properties at the microscopic level. The material property models were developed based on empirical analysis and the behavior extraction of standard test structures. A literature review is provided on the physical phenomena that govern the mechanical behavior of thin films materials. This survey indicates that the present day models operate under a wide range of assumptions that may not be applicable to the micro-world. Thus, this methodology is foreseen to be an essential tool for MEMS designers as it would develop empirical models that relate the loading parameters, material properties, and the geometry of the microstructures with its performance characteristics. This process involves learning the relationship between the above parameters using non-parametric learning algorithms such as radial basis function networks and genetic algorithms. The proposed simulation engine has a graphical user interface (GUI) which is very adaptable, flexible, and transparent. The GUI is able to encompass all parameters associated with the determination of the desired material property so as to create models that provide an accurate estimation of the desired property. This technique was verified by fabricating and simulating bilayer cantilevers consisting of aluminum and glass (TEOS oxide) in our previous work. The results obtained were found to be very encouraging.

Charge dissipative dielectric for cryogenic devices

NASA Technical Reports Server (NTRS)

Cantor, Robin Harold (Inventor); Hall, John Addison (Inventor)

2007-01-01

A Superconducting Quantum Interference Device (SQUID) is disclosed comprising a pair of resistively shunted Josephson junctions connected in parallel within a superconducting loop and biased by an external direct current (dc) source. The SQUID comprises a semiconductor substrate and at least one superconducting layer. The metal layer(s) are separated by or covered with a semiconductor material layer having the properties of a conductor at room temperature and the properties of an insulator at operating temperatures (generally less than 100 Kelvins). The properties of the semiconductor material layer greatly reduces the risk of electrostatic discharge that can damage the device during normal handling of the device at room temperature, while still providing the insulating properties desired to allow normal functioning of the device at its operating temperature. A method of manufacturing the SQUID device is also disclosed.

Magnetic-graphitic-nanocapsule templated diacetylene assembly and photopolymerization for sensing and multicoded anti-counterfeiting

NASA Astrophysics Data System (ADS)

Nie, Xiang-Kun; Xu, Yi-Ting; Song, Zhi-Ling; Ding, Ding; Gao, Feng; Liang, Hao; Chen, Long; Bian, Xia; Chen, Zhuo; Tan, Weihong

2014-10-01

Molecular self-assembly, a process to design molecular entities to aggregate into desired structures, represents a promising bottom-up route towards precise construction of functional systems. Here we report a multifunctional, self-assembled system based on magnetic-graphitic-nanocapsule (MGN) templated diacetylene assembly and photopolymerization. The as-prepared assembly system maintains the unique color and fluorescence change properties of the polydiacetylene (PDA) polymers, while also pursues the superior Raman, NIR, magnetic and superconducting properties from the MGN template. Based on both fluorescence and magnetic resonance imaging (MRI) T2 relaxivity, the MGN@PDA system could efficiently monitor the pH variations which could be used as a pH sensor. The MGN@PDA system further demonstrates potential as unique ink for anti-counterfeiting applications. Reversible color change, strong and unique Raman scattering and fluorescence emission, sensitive NIR thermal response, and distinctive magnetic properties afford this assembly system with multicoded anti-counterfeiting capabilities.Molecular self-assembly, a process to design molecular entities to aggregate into desired structures, represents a promising bottom-up route towards precise construction of functional systems. Here we report a multifunctional, self-assembled system based on magnetic-graphitic-nanocapsule (MGN) templated diacetylene assembly and photopolymerization. The as-prepared assembly system maintains the unique color and fluorescence change properties of the polydiacetylene (PDA) polymers, while also pursues the superior Raman, NIR, magnetic and superconducting properties from the MGN template. Based on both fluorescence and magnetic resonance imaging (MRI) T2 relaxivity, the MGN@PDA system could efficiently monitor the pH variations which could be used as a pH sensor. The MGN@PDA system further demonstrates potential as unique ink for anti-counterfeiting applications. Reversible color change, strong and unique Raman scattering and fluorescence emission, sensitive NIR thermal response, and distinctive magnetic properties afford this assembly system with multicoded anti-counterfeiting capabilities. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr03837a

Uncovering the Design Principle of Amino Acid-Derived Photoluminescent Biodots with Tailor-Made Structure-Properties and Applications for Cellular Bioimaging.

PubMed

Xu, Hesheng Victor; Zheng, Xin Ting; Zhao, Yanli; Tan, Yen Nee

2018-06-13

Natural amino acids possess side chains with different functional groups (R groups), which make them excellent precursors for programmable synthesis of biomolecule-derived nanodots (biodots) with desired properties. Herein, we report the first systematic study to uncover the material design rules of biodot synthesis from 20 natural α-amino acids via a green hydrothermal approach. The as-synthesized amino acid biodots (AA dots) are comprehensively characterized to establish a structure-property relationship between the amino acid precursors and the corresponding photoluminescent properties of AA dots. It was found that the amino acids with reactive R groups, including amine, hydroxyl, and carboxyl functional groups form unique C-O-C/C-OH and N-H bonds in the AA dots which stabilize the surface defects, giving rise to brightly luminescent AA dots. Furthermore, the AA dots were found to be amorphous and the length of the R group was observed to affect the final morphology (e.g., disclike nanostructure, nanowire, or nanomesh) of the AA dots, which in turn influence their photoluminescent properties. It is noteworthy to highlight that the hydroxyl-containing amino acids, that is, Ser and Thr, form the brightest AA dots with a quantum yield of 30.44% and 23.07%, respectively, and possess high photostability with negligible photobleaching upon continuous UV exposure for 3 h. Intriguingly, by selective mixing of Ser or Thr with another amino acid precursor, the resulting mixed AA dots could inherit unique properties such as improved photostability and significant red shift in their emission wavelength, producing enhanced green and red fluorescent intensity. Moreover, our cellular studies demonstrate that the as-synthesized AA dots display outstanding biocompatibility and excellent intracellular uptake, which are highly desirable for imaging applications. We envision that the material design rules discovered in this study will be broadly applicable for the rational selection of amino acid precursors in the tailored synthesis of biodots.

Towards programmable plant genetic circuits.

PubMed

Medford, June I; Prasad, Ashok

2016-07-01

Synthetic biology enables the construction of genetic circuits with predictable gene functions in plants. Detailed quantitative descriptions of the transfer function or input-output function for genetic parts (promoters, 5' and 3' untranslated regions, etc.) are collected. These data are then used in computational simulations to determine their robustness and desired properties, thereby enabling the best components to be selected for experimental testing in plants. In addition, the process forms an iterative workflow which allows vast improvement to validated elements with sub-optimal function. These processes enable computational functions such as digital logic in living plants and follow the pathway of technological advances which took us from vacuum tubes to cell phones. © 2016 The Authors The Plant Journal © 2016 John Wiley & Sons Ltd.

Semiconducting compounds and devices incorporating same

DOEpatents

Marks, Tobin J; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

2014-06-17

Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

Semiconducting compounds and devices incorporating same

DOEpatents

Marks, Tobin J.; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

2016-01-19

Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

Functional properties of Mozzarella cheese for its end use application.

PubMed

Ah, Jana; Tagalpallewar, Govind P

2017-11-01

Cheese is an extremely versatile food product that has a wide range of flavor, textures and end uses. The vast majority of cheese is eaten not by itself, but as part of another food. As an ingredient in foods, cheese is required to exhibit functional characteristics in the raw as well as cooked forms. Melting, stretching, free-oil formation, elasticity and browning are the functional properties considered to be significant for Mozzarella cheese. When a cheese is destined for its end use, some of its unique characteristics play a significant role in the products acceptability. For instance pH of cheese determines the cheese structure which in turn decides the cheese shredability and meltability properties. The residual galactose content in cheese mass determines the propensity of cheese to brown during baking. Development of 'tailor-made cheese' involves focusing on manipulation of such unique traits of cheese in order to obtain the desired characteristics for its end use application suiting the varied consumer's whims and wishes. This comprehensive review paper will provide an insight to the cheese maker regarding the factors determining the functional properties of cheese and also for the pizza manufacturers to decide which age of cheese to be used which will perform well in baking applications.

Functional materials based on carbon nanotubes: Carbon nanotube actuators and noncovalent carbon nanotube modification

NASA Astrophysics Data System (ADS)

Fifield, Leonard S.

Carbon nanotubes have attractive inherent properties that encourage the development of new functional materials and devices based on them. The use of single wall carbon nanotubes as electromechanical actuators takes advantage of the high mechanical strength, surface area and electrical conductivity intrinsic to these molecules. The work presented here investigates the mechanisms that have been discovered for actuation of carbon nanotube paper: electrostatic, quantum chemical charge injection, pneumatic and viscoelastic. A home-built apparatus for the measurement of actuation strain is developed and utilized in the investigation. An optical fiber switch, the first demonstrated macro-scale device based on the actuation of carbon nanotubes, is described and its performance evaluated. Also presented here is a new general process designed to modify the surface of carbon nanotubes in a non-covalent, non-destructive way. This method can be used to impart new functionalities to carbon nanotube samples for a variety of applications including sensing, solar energy conversion and chemical separation. The process described involves the achievement of large degrees of graphitic surface coverage with polycyclic aromatic hydrocarbons through the use of supercritical fluids. These molecules are bifunctional agents that anchor a desired chemical group to the aromatic surface of the carbon nanotubes without adversely disrupting the conjugated backbone that gives rise the attractive electronic and physical properties of the nanotubes. Both the nanotube functionalization work and the actuator work presented here emphasize how an understanding and control of nanoscale structure and phenomena can be of vital importance in achieving desired performance for active materials. Opportunities for new devices with improved function over current state-of-the-art can be envisioned and anticipated based on this understanding and control.

Influence of gamma-radiation on the nutritional and functional qualities of lotus seed flour.

PubMed

Bhat, Rajeev; Sridhar, Kandikere Ramaiah; Karim, Alias A; Young, Chiu C; Arun, Ananthapadmanabha B

2009-10-28

In the present study, we investigated the physicochemical and functional properties of lotus seed flour exposed to low and high doses of gamma-radiation (0-30 kGy; the dose recommended for quarantine and hygienic purposes). The results indicated raw seed flour to be rich in nutrients with minimal quantities of antinutritional factors. Irradiation resulted in a dose-dependent increase in some of the proximal constituents. The raw and gamma-irradiated seeds meet the Food and Agricultural Organization-World Health Organization recommended pattern of essential amino acids. Some of the antinutritional factors (phytic acid, total phenolics, and tannins) were lowered with gamma-irradiation, while the seed flours were devoid of lectins, L-3,4-dihydroxyphenylalanine, and polonium-210. The functional properties of the seed flour were significantly improved with gamma-radiation. gamma-radiation selectively preserved or improved the desired nutritional and functional traits of lotus seeds, thus ensuring a safe production of appropriate nutraceutically valued products.

Fourier band-power E/B-mode estimators for cosmic shear

DOE Office of Scientific and Technical Information (OSTI.GOV)

Becker, Matthew R.; Rozo, Eduardo

We introduce new Fourier band-power estimators for cosmic shear data analysis and E/B-mode separation. We consider both the case where one performs E/B-mode separation and the case where one does not. The resulting estimators have several nice properties which make them ideal for cosmic shear data analysis. First, they can be written as linear combinations of the binned cosmic shear correlation functions. Secondly, they account for the survey window function in real-space. Thirdly, they are unbiased by shape noise since they do not use correlation function data at zero separation. Fourthly, the band-power window functions in Fourier space are compactmore » and largely non-oscillatory. Fifthly, they can be used to construct band-power estimators with very efficient data compression properties. In particular, we find that all of the information on the parameters Ωm, σ8 and ns in the shear correlation functions in the range of ~10–400 arcmin for single tomographic bin can be compressed into only three band-power estimates. Finally, we can achieve these rates of data compression while excluding small-scale information where the modelling of the shear correlation functions and power spectra is very difficult. Given these desirable properties, these estimators will be very useful for cosmic shear data analysis.« less

In search of a human self-regulation system.

PubMed

Kelley, William M; Wagner, Dylan D; Heatherton, Todd F

2015-07-08

The capacity for self-regulation allows people to control their thoughts, behaviors, emotions, and desires. In spite of this impressive ability, failures of self-regulation are common and contribute to numerous societal problems, from obesity to drug addiction. Such failures frequently occur following exposure to highly tempting cues, during negative moods, or after self-regulatory resources have been depleted. Here we review the available neuroscientific evidence regarding self-regulation and its failures. At its core, self-regulation involves a critical balance between the strength of an impulse and an individual's ability to inhibit the desired behavior. Although neuroimaging and patient studies provide consistent evidence regarding the reward aspects of impulses and desires, the neural mechanisms that underlie the capacity for control have eluded consensus, with various executive control regions implicated in different studies. We outline the necessary properties for a self-regulation control system and suggest that the use of resting-state functional connectivity analyses may be useful for understanding how people regulate their behavior and why they sometimes fail in their attempts.

Engineering of Fc Fragments with Optimized Physicochemical Properties Implying Improvement of Clinical Potentials for Fc-Based Therapeutics.

PubMed

Yang, Chunpeng; Gao, Xinyu; Gong, Rui

2017-01-01

Therapeutic monoclonal antibodies and Fc-fusion proteins are successfully used in treatment of various diseases mainly including cancer, immune disease, and viral infection, which belong to the Fc-based therapeutics. In recent years, engineered Fc-derived antibody domains have also shown potential for Fc-based therapeutics. To increase the druggability of Fc-based therapeutic candidates, many efforts have been made in optimizing physicochemical properties and functions mediated by Fc fragment. The desired result is that we can simultaneously obtain Fc variants with increased physicochemical properties in vitro and capacity of mediating appropriate functions in vivo . However, changes of physicochemical properties of Fc may result in alternation of Fc-mediated functions and vice versa , which leads to undesired outcomes for further development of Fc-based therapeutics. Therefore, whether modified Fc fragments are suitable for achievement of expected clinical results or not needs to be seriously considered. Now, this question comes to be noticed and should be figured out to make better translation from the results of laboratory into clinical applications. In this review, we summarize different strategies on engineering physicochemical properties of Fc, and preliminarily elucidate the relationships between modified Fc in vitro and the subsequent therapeutic influence in vivo .

Engineering of Fc Fragments with Optimized Physicochemical Properties Implying Improvement of Clinical Potentials for Fc-Based Therapeutics

PubMed Central

Yang, Chunpeng; Gao, Xinyu; Gong, Rui

2018-01-01

Therapeutic monoclonal antibodies and Fc-fusion proteins are successfully used in treatment of various diseases mainly including cancer, immune disease, and viral infection, which belong to the Fc-based therapeutics. In recent years, engineered Fc-derived antibody domains have also shown potential for Fc-based therapeutics. To increase the druggability of Fc-based therapeutic candidates, many efforts have been made in optimizing physicochemical properties and functions mediated by Fc fragment. The desired result is that we can simultaneously obtain Fc variants with increased physicochemical properties in vitro and capacity of mediating appropriate functions in vivo. However, changes of physicochemical properties of Fc may result in alternation of Fc-mediated functions and vice versa, which leads to undesired outcomes for further development of Fc-based therapeutics. Therefore, whether modified Fc fragments are suitable for achievement of expected clinical results or not needs to be seriously considered. Now, this question comes to be noticed and should be figured out to make better translation from the results of laboratory into clinical applications. In this review, we summarize different strategies on engineering physicochemical properties of Fc, and preliminarily elucidate the relationships between modified Fc in vitro and the subsequent therapeutic influence in vivo. PMID:29375551

Formation and functional properties of protein-polysaccharide electrostatic hydrogels in comparison to protein or polysaccharide hydrogels.

PubMed

Le, Xuan T; Rioux, Laurie-Eve; Turgeon, Sylvie L

2017-01-01

Protein and polysaccharide mixed systems have been actively studied for at least 50years as they can be assembled into functional particles or gels. This article reviews the properties of electrostatic gels, a recently discovered particular case of associative protein-polysaccharide mixtures formed through associative electrostatic interaction under appropriate solution conditions (coupled gel). This review highlights the factors influencing gel formation such as protein-polysaccharide ratio, biopolymer structural characteristics, final pH, ionic strength and total solid concentration. For the first time, the functional properties of protein-polysaccharide coupled gels are presented and discussed in relationship to individual protein and polysaccharide hydrogels. One of their outstanding characteristics is their gel water retention. Up to 600g of water per g of biopolymer may be retained in the electrostatic gel network compared to a protein gel (3-9g of water per g of protein). Potential applications of the gels are proposed to enable the food and non-food industries to develop new functional products with desirable attributes or new interesting materials to incorporate bioactive molecules. Copyright © 2016 Elsevier B.V. All rights reserved.

Graphene based biosensors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gürel, Hikmet Hakan, E-mail: hhakan.gurel@kocaeli.edu.tr; Salmankurt, Bahadır

2016-03-25

Nanometer-sized graphene as a 2D material has unique chemical and electronic properties. Because of its unique physical, chemical, and electronic properties, its interesting shape and size make it a promising nanomaterial in many biological applications. It is expected that biomaterials incorporating graphene will be developed for the graphene-based drug delivery systems and biomedical devices. The interactions of biomolecules and graphene are long-ranged and very weak. Development of new techniques is very desirable for design of bioelectronics sensors and devices. In this work, we present first-principles calculations within density functional theory to calculate effects of charging on nucleobases on graphene. Itmore » is shown that how modify structural and electronic properties of nucleobases on graphene by applied charging.« less

Fluorescent Labeling of Proteins.

PubMed

Modesti, Mauro

2018-01-01

Many single-molecule experimental techniques exploit fluorescence as a tool to investigate conformational dynamics, molecular interactions, or track the movement of proteins in order to gain insight into their biological functions. A prerequisite to these experimental approaches is to graft one or more fluorophores on the protein of interest with the desired photophysical properties. Here, we describe procedures for efficient methods used to covalently attach fluorophores to proteins. Alternative direct and indirect labeling strategies are also described.

Chain-Growth Methods for the Synthesis of High Molecular Weight Conducting and Semiconducting Polymers

DTIC Science & Technology

2013-08-25

to produce the desired polymerization in analogy to the well-known “super glue ” anionic polymerization. Although there are abundant examples of...light (a) and UV light (b). 5 are further functionalized and block polymers formed with polynorborene have elastomeric properties. The...top) and UV (bottom) light show the evolution of the band gap of the polymer with increasing molecular weight. The plot on the right shows the

Heat Treatment Investigation of 4330 Vanadium-Modified Steel

DTIC Science & Technology

1989-08-01

the desired properties, using the results from the tensile and subsized Charpy impact tests on the 1 2-inch-diameter stock our further investigations...for the subsized Charpy specimens is shown graphically in Appendix C as a function of tempering temperature. This data gave a good indication that the... Charpy energy for full-sized specimens (0.394-inch-square cross section) would be near our expected values. Due to the dimensions of the subsized

Executive Function and the Development of Belief-Desire Psychology

ERIC Educational Resources Information Center

Rakoczy, Hannes

2010-01-01

In two studies children's performance on tasks requiring the ascription of beliefs and desires was investigated in relation to their executive function. Study 1 (n = 80) showed that 3- and 4-year-olds were more proficient at ascribing subjective, mutually incompatible desires and desire-dependent emotions to two persons than they were at ascribing…

Investigation of α-MnO 2 Tunneled Structures as Model Cation Hosts for Energy Storage

DOE PAGES

Housel, Lisa M.; Wang, Lei; Abraham, Alyson; ...

2018-02-19

Future advances in energy storage systems rely on identification of appropriate target materials and deliberate synthesis of the target materials with control of their physiochemical properties in order to disentangling the contributions of distinct properties to the functional electrochemistry. Furthermore, this goal demands systematic inquiry using model materials that provide the opportunity for significant synthetic versatility and control. Ideally, a material family that enables direct manipulation of characteristics including composition, defects and crystallite size while remaining within the defined structural framework would be necessary. Accomplishing this through direct synthetic methods is desirable to minimize the complicating effects of secondary processing.

Investigation of α-MnO 2 Tunneled Structures as Model Cation Hosts for Energy Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Housel, Lisa M.; Wang, Lei; Abraham, Alyson

Future advances in energy storage systems rely on identification of appropriate target materials and deliberate synthesis of the target materials with control of their physiochemical properties in order to disentangling the contributions of distinct properties to the functional electrochemistry. Furthermore, this goal demands systematic inquiry using model materials that provide the opportunity for significant synthetic versatility and control. Ideally, a material family that enables direct manipulation of characteristics including composition, defects and crystallite size while remaining within the defined structural framework would be necessary. Accomplishing this through direct synthetic methods is desirable to minimize the complicating effects of secondary processing.

Investigation of acoustic metasurfaces with constituent material properties considered

NASA Astrophysics Data System (ADS)

Gerard, Nikhil JRK; Li, Yong; Jing, Yun

2018-03-01

This paper examines the transmission behavior of two acoustic metasurfaces and their constituent structural units while including the various material properties that could affect their functionality. The unit cells and the metasurfaces are modeled numerically, and the impact of the structural interaction and thermoviscosity on sound transmission and phase modulation is studied. Each of these effects is viewed individually in order to better understand their influence. Various cases are presented, and the change in the behavior of the metasurfaces is investigated. The deviations from the ideal desired results are examined and highlighted to show that it is important to incorporate these effects to better predict the behavior of acoustic metasurfaces.

Resilience and vulnerability to a natural hazard: A mathematical framework based on viability theory

NASA Astrophysics Data System (ADS)

Rougé, Charles; Mathias, Jean-Denis; Deffuant, Guillaume

2013-04-01

This deals with the response of a coupled human and natural system (CHANS) to a natural hazard by using the concepts of resilience and vulnerability within the mathematical framework of viability theory. This theory applies to time-evolving systems such as CHANS and assumes that their desirable properties can be defined as a subset of their state space. Policies can also apply to influence the dynamics of such systems: viability theory aims at finding the policies which keep the properties of a controlled dynamical system for so long as no disturbance hits it. The states of the system such that the properties are guaranteed constitute what is called the viability kernel. This viability framework has been extended to describe the response to a perturbation such as a natural hazard. Resilience describes the capacity of the CHANS to recover by getting back in the viability kernel, where its properties are guaranteed until the onset of the next major event. Defined for a given controlled trajectory that the system may take after the event ends, resilience is (a) whether the system comes back to the viability kernel within a given budget such as a time constraint, but also (b) a decreasing function of vulnerability. Computed for a given trajectory as well, vulnerability is a measure of the consequence of violating a property. We propose a family of functions from which cost functions and other vulnerability indicators can be derived for a certain trajectory. There can be several vulnerability functions, representing for instance social, economic or ecological vulnerability, and each representing the violation of an associated property, but these functions need to be ultimately aggregated as a single indicator. Computing the resilience and vulnerability of a trajectory enables the viability framework to describe the response of both deterministic and stochastic systems to hazards. In the deterministic case, there is only one response trajectory for a given action policy, and methods exist to find the actions which yield the most resilient trajectory, namely the least vulnerable trajectory for which recovery is complete. In the stochastic case however, there is a range of possible trajectories. Statistics can be derived from the probability distribution of the resilience and vulnerability of the trajectories. Dynamic programming methods can then yield either the policies that maximize the probability of being resilient by achieving recovery within a given time horizon, or these which minimize a given vulnerability statistic. These objectives are different and can be in contradiction, so that trade-offs may have to be considered between them. The approach is illustrated in both the deterministic and stochastic cases through a simple model of lake eutrophication, for which the desirable ecological properties of the lake conflict with the economic interest of neighboring farmers.

State-of-the-Art Review on the Characteristics of Surfactants and Foam from Foam Concrete Perspective

NASA Astrophysics Data System (ADS)

Sahu, Sritam Swapnadarshi; Gandhi, Indu Siva Ranjani; Khwairakpam, Selija

2018-06-01

Foam concrete finds application in many areas, generally as a function of its relatively lightweight and its beneficial properties in terms of reduction in dead load on structure, excellent thermal insulation and contribution to energy conservation. For production of foam concrete with desired properties, stable and good quality foam is the key requirement. It is to be noted that the selection of surfactant and foam production parameters play a vital role in the properties of foam which in turn affects the properties of foam concrete. However, the literature available on the influence of characteristics of foaming agent and foam on the properties of foam concrete are rather limited. Hence, a more systematic research is needed in this direction. The focus of this work is to provide a review on characteristics of surfactant (foaming agent) and foam for use in foam concrete production.

State-of-the-Art Review on the Characteristics of Surfactants and Foam from Foam Concrete Perspective

NASA Astrophysics Data System (ADS)

Sahu, Sritam Swapnadarshi; Gandhi, Indu Siva Ranjani; Khwairakpam, Selija

2018-02-01

Foam concrete finds application in many areas, generally as a function of its relatively lightweight and its beneficial properties in terms of reduction in dead load on structure, excellent thermal insulation and contribution to energy conservation. For production of foam concrete with desired properties, stable and good quality foam is the key requirement. It is to be noted that the selection of surfactant and foam production parameters play a vital role in the properties of foam which in turn affects the properties of foam concrete. However, the literature available on the influence of characteristics of foaming agent and foam on the properties of foam concrete are rather limited. Hence, a more systematic research is needed in this direction. The focus of this work is to provide a review on characteristics of surfactant (foaming agent) and foam for use in foam concrete production.

Structure Property Relationships of Carboxylic Acid Isosteres.

PubMed

Lassalas, Pierrik; Gay, Bryant; Lasfargeas, Caroline; James, Michael J; Tran, Van; Vijayendran, Krishna G; Brunden, Kurt R; Kozlowski, Marisa C; Thomas, Craig J; Smith, Amos B; Huryn, Donna M; Ballatore, Carlo

2016-04-14

The replacement of a carboxylic acid with a surrogate structure, or (bio)-isostere, is a classical strategy in medicinal chemistry. The general underlying principle is that by maintaining the features of the carboxylic acid critical for biological activity, but appropriately modifying the physicochemical properties, improved analogs may result. In this context, a systematic assessment of the physicochemical properties of carboxylic acid isosteres would be desirable to enable more informed decisions of potential replacements to be used for analog design. Herein we report the structure-property relationships (SPR) of 35 phenylpropionic acid derivatives, in which the carboxylic acid moiety is replaced with a series of known isosteres. The data set generated provides an assessment of the relative impact on the physicochemical properties that these replacements may have compared to the carboxylic acid analog. As such, this study presents a framework for how to rationally apply isosteric replacements of the carboxylic acid functional group.

Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach

PubMed Central

Chen, Ting; Zheng, Lei; Yuan, Jie; An, Zhongfu; Chen, Runfeng; Tao, Ye; Li, Huanhuan; Xie, Xiaoji; Huang, Wei

2015-01-01

Developing organic optoelectronic materials with desired photophysical properties has always been at the forefront of organic electronics. The variation of singlet-triplet splitting (ΔEST) can provide useful means in modulating organic excitons for diversified photophysical phenomena, but controlling ΔEST in a desired manner within a large tuning scope remains a daunting challenge. Here, we demonstrate a convenient and quantitative approach to relate ΔEST to the frontier orbital overlap and separation distance via a set of newly developed parameters using natural transition orbital analysis to consider whole pictures of electron transitions for both the lowest singlet (S1) and triplet (T1) excited states. These critical parameters revealed that both separated S1 and T1 states leads to ultralow ΔEST; separated S1 and overlapped T1 states results in small ΔEST; and both overlapped S1 and T1 states induces large ΔEST. Importantly, we realized a widely-tuned ΔEST in a range from ultralow (0.0003 eV) to extra-large (1.47 eV) via a subtle symmetric control of triazine molecules, based on time-dependent density functional theory calculations combined with experimental explorations. These findings provide keen insights into ΔEST control for feasible excited state tuning, offering valuable guidelines for the construction of molecules with desired optoelectronic properties. PMID:26161684

Concerning an application of the method of least squares with a variable weight matrix

NASA Technical Reports Server (NTRS)

Sukhanov, A. A.

1979-01-01

An estimate of a state vector for a physical system when the weight matrix in the method of least squares is a function of this vector is considered. An iterative procedure is proposed for calculating the desired estimate. Conditions for the existence and uniqueness of the limit of this procedure are obtained, and a domain is found which contains the limit estimate. A second method for calculating the desired estimate which reduces to the solution of a system of algebraic equations is proposed. The question of applying Newton's method of tangents to solving the given system of algebraic equations is considered and conditions for the convergence of the modified Newton's method are obtained. Certain properties of the estimate obtained are presented together with an example.

Metal- and Polymer-Matrix Composites: Functional Lightweight Materials for High-Performance Structures

NASA Astrophysics Data System (ADS)

Gupta, Nikhil; Paramsothy, Muralidharan

2014-06-01

The special topic "Metal- and Polymer-Matrix Composites" is intended to capture the state of the art in the research and practice of functional composites. The current set of articles related to metal-matrix composites includes reviews on functionalities such as self-healing, self-lubricating, and self-cleaning capabilities; research results on a variety of aluminum-matrix composites; and investigations on advanced composites manufacturing methods. In addition, the processing and properties of carbon nanotube-reinforced polymer-matrix composites and adhesive bonding of laminated composites are discussed. The literature on functional metal-matrix composites is relatively scarce compared to functional polymer-matrix composites. The demand for lightweight composites in the transportation sector is fueling the rapid development in this field, which is captured in the current set of articles. The possibility of simultaneously tailoring several desired properties is attractive but very challenging, and it requires significant advancements in the science and technology of composite materials. The progress captured in the current set of articles shows promise for developing materials that seem capable of moving this field from laboratory-scale prototypes to actual industrial applications.

Work Function Engineering of Graphene

PubMed Central

Garg, Rajni; Dutta, Naba K.; Roy Choudhury, Namita

2014-01-01

Graphene is a two dimensional one atom thick allotrope of carbon that displays unusual crystal structure, electronic characteristics, charge transport behavior, optical clarity, physical & mechanical properties, thermal conductivity and much more that is yet to be discovered. Consequently, it has generated unprecedented excitement in the scientific community; and is of great interest to wide ranging industries including semiconductor, optoelectronics and printed electronics. Graphene is considered to be a next-generation conducting material with a remarkable band-gap structure, and has the potential to replace traditional electrode materials in optoelectronic devices. It has also been identified as one of the most promising materials for post-silicon electronics. For many such applications, modulation of the electrical and optical properties, together with tuning the band gap and the resulting work function of zero band gap graphene are critical in achieving the desired properties and outcome. In understanding the importance, a number of strategies including various functionalization, doping and hybridization have recently been identified and explored to successfully alter the work function of graphene. In this review we primarily highlight the different ways of surface modification, which have been used to specifically modify the band gap of graphene and its work function. This article focuses on the most recent perspectives, current trends and gives some indication of future challenges and possibilities. PMID:28344223

Work Function Engineering of Graphene.

PubMed

Garg, Rajni; Dutta, Naba K; Choudhury, Namita Roy

2014-04-03

Graphene is a two dimensional one atom thick allotrope of carbon that displays unusual crystal structure, electronic characteristics, charge transport behavior, optical clarity, physical & mechanical properties, thermal conductivity and much more that is yet to be discovered. Consequently, it has generated unprecedented excitement in the scientific community; and is of great interest to wide ranging industries including semiconductor, optoelectronics and printed electronics. Graphene is considered to be a next-generation conducting material with a remarkable band-gap structure, and has the potential to replace traditional electrode materials in optoelectronic devices. It has also been identified as one of the most promising materials for post-silicon electronics. For many such applications, modulation of the electrical and optical properties, together with tuning the band gap and the resulting work function of zero band gap graphene are critical in achieving the desired properties and outcome. In understanding the importance, a number of strategies including various functionalization, doping and hybridization have recently been identified and explored to successfully alter the work function of graphene. In this review we primarily highlight the different ways of surface modification, which have been used to specifically modify the band gap of graphene and its work function. This article focuses on the most recent perspectives, current trends and gives some indication of future challenges and possibilities.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dr. Mohit Jain; Dr. Ganesh Skandan; Dr. Gordon E. Khose

Generation IV Very High Temperature power generating nuclear reactors will operate at temperatures greater than 900 oC. At these temperatures, the components operating in these reactors need to be fabricated from materials with excellent thermo-mechanical properties. Conventional pure or composite materials have fallen short in delivering the desired performance. New materials, or conventional materials with new microstructures, and associated processing technologies are needed to meet these materials challenges. Using the concept of functionally graded materials, we have fabricated a composite material which has taken advantages of the mechanical and thermal properties of ceramic and metals. Functionally-graded composite samples with variousmore » microstructures were fabricated. It was demonstrated that the composition and spatial variation in the composition of the composite can be controlled. Some of the samples were tested for irradiation resistance to neutrons. The samples did not degrade during initial neutron irradiation testing.« less

Anisotropic nanomaterials: structure, growth, assembly, and functions

PubMed Central

Sajanlal, Panikkanvalappil R.; Sreeprasad, Theruvakkattil S.; Samal, Akshaya K.; Pradeep, Thalappil

2011-01-01

Comprehensive knowledge over the shape of nanomaterials is a critical factor in designing devices with desired functions. Due to this reason, systematic efforts have been made to synthesize materials of diverse shape in the nanoscale regime. Anisotropic nanomaterials are a class of materials in which their properties are direction-dependent and more than one structural parameter is needed to describe them. Their unique and fine-tuned physical and chemical properties make them ideal candidates for devising new applications. In addition, the assembly of ordered one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) arrays of anisotropic nanoparticles brings novel properties into the resulting system, which would be entirely different from the properties of individual nanoparticles. This review presents an overview of current research in the area of anisotropic nanomaterials in general and noble metal nanoparticles in particular. We begin with an introduction to the advancements in this area followed by general aspects of the growth of anisotropic nanoparticles. Then we describe several important synthetic protocols for making anisotropic nanomaterials, followed by a summary of their assemblies, and conclude with major applications. PMID:22110867

Research Update: Mechanical properties of metal-organic frameworks - Influence of structure and chemical bonding

NASA Astrophysics Data System (ADS)

Li, Wei; Henke, Sebastian; Cheetham, Anthony K.

2014-12-01

Metal-organic frameworks (MOFs), a young family of functional materials, have been attracting considerable attention from the chemistry, materials science, and physics communities. In the light of their potential applications in industry and technology, the fundamental mechanical properties of MOFs, which are of critical importance for manufacturing, processing, and performance, need to be addressed and understood. It has been widely accepted that the framework topology, which describes the overall connectivity pattern of the MOF building units, is of vital importance for the mechanical properties. However, recent advances in the area of MOF mechanics reveal that chemistry plays a major role as well. From the viewpoint of materials science, a deep understanding of the influence of chemical effects on MOF mechanics is not only highly desirable for the development of novel functional materials with targeted mechanical response, but also for a better understanding of important properties such as structural flexibility and framework breathing. The present work discusses the intrinsic connection between chemical effects and the mechanical behavior of MOFs through a number of prototypical examples.

Grid adaption based on modified anisotropic diffusion equations formulated in the parametic domain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hagmeijer, R.

1994-11-01

A new grid-adaption algorithm for problems in computational fluid dynamics is presented. The basic equations are derived from a variational problem formulated in the parametric domain of the mapping that defines the existing grid. Modification of the basic equations provides desirable properties in boundary layers. The resulting modified anisotropic diffusion equations are solved for the computational coordinates as functions of the parametric coordinates and these functions are numerically inverted. Numerical examples show that the algorithm is robust, that shocks and boundary layers are well-resolved on the adapted grid, and that the flow solution becomes a globally smooth function of themore » computational coordinates.« less

Accurate integration over atomic regions bounded by zero-flux surfaces.

PubMed

Polestshuk, Pavel M

2013-01-30

The approach for the integration over a region covered by zero-flux surface is described. This approach based on the surface triangulation technique is efficiently realized in a newly developed program TWOE. The elaborated method is tested on several atomic properties including the source function. TWOE results are compared with those produced by using well-known existing programs. Absolute errors in computed atomic properties are shown to range usually from 10(-6) to 10(-5) au. The demonstrative examples prove that present realization has perfect convergence of atomic properties with increasing size of angular grid and allows to obtain highly accurate data even in the most difficult cases. It is believed that the developed program can be bridgehead that allows to implement atomic partitioning of any desired molecular property with high accuracy. Copyright © 2012 Wiley Periodicals, Inc.

Artificial nacre-like papers based on noncovalent functionalized boron nitride nanosheets with excellent mechanical and thermally conductive properties.

PubMed

Zeng, Xiaoliang; Ye, Lei; Yu, Shuhui; Li, Hao; Sun, Rong; Xu, Jianbin; Wong, Ching-Ping

2015-04-21

Inspired by the nano/microscale hierarchical structure and the precise inorganic/organic interface of natural nacre, we fabricated artificial nacre-like papers based on noncovalent functionalized boron nitride nanosheets (NF-BNNSs) and poly(vinyl alcohol) (PVA) via a vacuum-assisted self-assembly technique. The artificial nacre-like papers exhibit excellent tensile strength (125.2 MPa), on a par with that of the natural nacre, and moreover display a 30% higher toughness (2.37 MJ m(-3)) than that of the natural nacre. These excellent mechanical properties result from an ordered 'brick-and-mortar' arrangement of NF-BNNSs and PVA, in which the long-chain PVA molecules act as the bridge to link NF-BNNSs via hydrogen bonds. The resulting papers also render high thermal conductivity (6.9 W m(-1) K(-1)), and reveal their superiority as flexible substrates to support light-emitting-diode chips. The combined mechanical and thermal properties make the materials highly desirable as flexible substrates for next-generation commercial portable electronics.

Machine learnt bond order potential to model metal-organic (Co-C) heterostructures.

PubMed

Narayanan, Badri; Chan, Henry; Kinaci, Alper; Sen, Fatih G; Gray, Stephen K; Chan, Maria K Y; Sankaranarayanan, Subramanian K R S

2017-11-30

A fundamental understanding of the inter-relationships between structure, morphology, atomic scale dynamics, chemistry, and physical properties of mixed metallic-covalent systems is essential to design novel functional materials for applications in flexible nano-electronics, energy storage and catalysis. To achieve such knowledge, it is imperative to develop robust and computationally efficient atomistic models that describe atomic interactions accurately within a single framework. Here, we present a unified Tersoff-Brenner type bond order potential (BOP) for a Co-C system, trained against lattice parameters, cohesive energies, equation of state, and elastic constants of different crystalline phases of cobalt as well as orthorhombic Co 2 C derived from density functional theory (DFT) calculations. The independent BOP parameters are determined using a combination of supervised machine learning (genetic algorithms) and local minimization via the simplex method. Our newly developed BOP accurately describes the structural, thermodynamic, mechanical, and surface properties of both the elemental components as well as the carbide phases, in excellent accordance with DFT calculations and experiments. Using our machine-learnt BOP potential, we performed large-scale molecular dynamics simulations to investigate the effect of metal/carbon concentration on the structure and mechanical properties of porous architectures obtained via self-assembly of cobalt nanoparticles and fullerene molecules. Such porous structures have implications in flexible electronics, where materials with high electrical conductivity and low elastic stiffness are desired. Using unsupervised machine learning (clustering), we identify the pore structure, pore-distribution, and metallic conduction pathways in self-assembled structures at different C/Co ratios. We find that as the C/Co ratio increases, the connectivity between the Co nanoparticles becomes limited, likely resulting in low electrical conductivity; on the other hand, such C-rich hybrid structures are highly flexible (i.e., low stiffness). The BOP model developed in this work is a valuable tool to investigate atomic scale processes, structure-property relationships, and temperature/pressure response of Co-C systems, as well as design organic-inorganic hybrid structures with a desired set of properties.

From protein engineering to immobilization: promising strategies for the upgrade of industrial enzymes.

PubMed

Singh, Raushan Kumar; Tiwari, Manish Kumar; Singh, Ranjitha; Lee, Jung-Kul

2013-01-10

Enzymes found in nature have been exploited in industry due to their inherent catalytic properties in complex chemical processes under mild experimental and environmental conditions. The desired industrial goal is often difficult to achieve using the native form of the enzyme. Recent developments in protein engineering have revolutionized the development of commercially available enzymes into better industrial catalysts. Protein engineering aims at modifying the sequence of a protein, and hence its structure, to create enzymes with improved functional properties such as stability, specific activity, inhibition by reaction products, and selectivity towards non-natural substrates. Soluble enzymes are often immobilized onto solid insoluble supports to be reused in continuous processes and to facilitate the economical recovery of the enzyme after the reaction without any significant loss to its biochemical properties. Immobilization confers considerable stability towards temperature variations and organic solvents. Multipoint and multisubunit covalent attachments of enzymes on appropriately functionalized supports via linkers provide rigidity to the immobilized enzyme structure, ultimately resulting in improved enzyme stability. Protein engineering and immobilization techniques are sequential and compatible approaches for the improvement of enzyme properties. The present review highlights and summarizes various studies that have aimed to improve the biochemical properties of industrially significant enzymes.

Modeling fructose-load-induced hepatic de-novo lipogenesis by model simplification.

PubMed

Allen, Richard J; Musante, Cynthia J

2017-01-01

Hepatic de-novo lipogenesis is a metabolic process implemented in the pathogenesis of type 2 diabetes. Clinically, the rate of this process can be ascertained by use of labeled acetate and stimulation by fructose administration. A systems pharmacology model of this process is desirable because it facilitates the description, analysis, and prediction of this experiment. Due to the multiple enzymes involved in de-novo lipogenesis, and the limited data, it is desirable to use single functional expressions to encapsulate the flux between multiple enzymes. To accomplish this we developed a novel simplification technique which uses the available information about the properties of the individual enzymes to bound the parameters of a single governing 'transfer function'. This method should be applicable to any model with linear chains of enzymes that are well stimulated. We validated this approach with computational simulations and analytical justification in a limiting case. Using this technique we generated a simple model of hepatic de-novo lipogenesis in these experimental conditions that matched prior data. This model can be used to assess pharmacological intervention at specific points on this pathway. We have demonstrated this with prospective simulation of acetyl-CoA carboxylase inhibition. This simplification technique suggests how the constituent properties of an enzymatic chain of reactions gives rise to the sensitivity (to substrate) of the pathway as a whole.

Hybrid reflection type metasurface of nano-antennas designed for optical needle field generation

NASA Astrophysics Data System (ADS)

Wang, Shiyi; Zhan, Qiwen

2015-03-01

We propose a reflection type metal-insulator-metal (MIM) metasurface composed of hybrid optical antennas for comprehensive spatial engineering the properties of optical fields. Its capability is illustrated with an example to create a radially polarized vectorial beam for optical needle field generation. Functioning as local quarter-wave-plates (QWP), the MIM metasurface is designed to convert circularly polarized incident into local linear polarization to create an overall radial polarization with corresponding binary phases and desired normalized amplitude modulation ranged from 0.07 to 1. To obtain enough degrees of freedom, the optical-antenna layer comprises periodic arrangements of double metallic nano-bars with perpendicular placement and single nano-bars respectively for different amplitude modulation requirements. Both of the antennas enable to introduce π/2 retardation while reaching the desired modulation range both for phase and amplitude. Through adjusting the antennas' geometry and array carefully, we shift the gap-surface plasmon resonances facilitated by optical antennas to realize the manipulation of vectorial properties. Designed at 1064 nm wavelength, the particularly generated vectorial light output can be further tightly focused by a high numerical aperture objective to obtain longitudinally polarized flat-top focal field. The so-called optical needle field is a promising candidate for novel applications that transcend disciplinary boundaries. The proposed metasurface establishes a new class of compact optical components based on nano-scale structures, leading to compound functions for vectorial light generation.

Kinetic theory for the formation of diamond nanothreads with desired configurations: a strain-temperature controlled phase diagram.

PubMed

Gao, Junfeng; Zhang, Gang; Yakobson, Boris I; Zhang, Yong-Wei

2018-05-24

Diamond nanothreads (DNTs) are a brand-new one-dimensional carbon nanomaterial that was synthesized recently by compressing benzene. Compared with sp2 carbon nanotubes, DNTs may possess a much higher interfacial load-transfer ability. However, previous studies have shown that the mechanical properties of DNTs are highly sensitive to the composition of Stone-Wales (SW) transformed sites. Up to now, it remained unclear what roles SWs play in the structure stability and how to engineer its molecular structure for novel mechanical properties. Using ab initio calculations, here we show that the most stable structure of a DNT is composed of alternative SW and hydrogenated carbon nanotube (3,0) units, suggesting that SW plays an essential role in stabilizing DNT. Interestingly, we found that the SW transition barrier is a nearly linear function of the applied strain, enabling strain engineering of its molecular structure. To do so, we propose a strain-temperature-stretching rate phase diagram to guide the construction of desired molecular structures to achieve superplastic behavior of DNTs. Our findings not only enrich our understanding of this novel carbon material, but also provide a strategy to control its structural and mechanical properties for novel applications, such as energy absorption, energy storage and materials reinforcement.

A low-complexity 2-point step size gradient projection method with selective function evaluations for smoothed total variation based CBCT reconstructions

NASA Astrophysics Data System (ADS)

Song, Bongyong; Park, Justin C.; Song, William Y.

2014-11-01

The Barzilai-Borwein (BB) 2-point step size gradient method is receiving attention for accelerating Total Variation (TV) based CBCT reconstructions. In order to become truly viable for clinical applications, however, its convergence property needs to be properly addressed. We propose a novel fast converging gradient projection BB method that requires ‘at most one function evaluation’ in each iterative step. This Selective Function Evaluation method, referred to as GPBB-SFE in this paper, exhibits the desired convergence property when it is combined with a ‘smoothed TV’ or any other differentiable prior. This way, the proposed GPBB-SFE algorithm offers fast and guaranteed convergence to the desired 3DCBCT image with minimal computational complexity. We first applied this algorithm to a Shepp-Logan numerical phantom. We then applied to a CatPhan 600 physical phantom (The Phantom Laboratory, Salem, NY) and a clinically-treated head-and-neck patient, both acquired from the TrueBeam™ system (Varian Medical Systems, Palo Alto, CA). Furthermore, we accelerated the reconstruction by implementing the algorithm on NVIDIA GTX 480 GPU card. We first compared GPBB-SFE with three recently proposed BB-based CBCT reconstruction methods available in the literature using Shepp-Logan numerical phantom with 40 projections. It is found that GPBB-SFE shows either faster convergence speed/time or superior convergence property compared to existing BB-based algorithms. With the CatPhan 600 physical phantom, the GPBB-SFE algorithm requires only 3 function evaluations in 30 iterations and reconstructs the standard, 364-projection FDK reconstruction quality image using only 60 projections. We then applied the algorithm to a clinically-treated head-and-neck patient. It was observed that the GPBB-SFE algorithm requires only 18 function evaluations in 30 iterations. Compared with the FDK algorithm with 364 projections, the GPBB-SFE algorithm produces visibly equivalent quality CBCT image for the head-and-neck patient with only 180 projections, in 131.7 s, further supporting its clinical applicability.

A low-complexity 2-point step size gradient projection method with selective function evaluations for smoothed total variation based CBCT reconstructions.

PubMed

Song, Bongyong; Park, Justin C; Song, William Y

2014-11-07

The Barzilai-Borwein (BB) 2-point step size gradient method is receiving attention for accelerating Total Variation (TV) based CBCT reconstructions. In order to become truly viable for clinical applications, however, its convergence property needs to be properly addressed. We propose a novel fast converging gradient projection BB method that requires 'at most one function evaluation' in each iterative step. This Selective Function Evaluation method, referred to as GPBB-SFE in this paper, exhibits the desired convergence property when it is combined with a 'smoothed TV' or any other differentiable prior. This way, the proposed GPBB-SFE algorithm offers fast and guaranteed convergence to the desired 3DCBCT image with minimal computational complexity. We first applied this algorithm to a Shepp-Logan numerical phantom. We then applied to a CatPhan 600 physical phantom (The Phantom Laboratory, Salem, NY) and a clinically-treated head-and-neck patient, both acquired from the TrueBeam™ system (Varian Medical Systems, Palo Alto, CA). Furthermore, we accelerated the reconstruction by implementing the algorithm on NVIDIA GTX 480 GPU card. We first compared GPBB-SFE with three recently proposed BB-based CBCT reconstruction methods available in the literature using Shepp-Logan numerical phantom with 40 projections. It is found that GPBB-SFE shows either faster convergence speed/time or superior convergence property compared to existing BB-based algorithms. With the CatPhan 600 physical phantom, the GPBB-SFE algorithm requires only 3 function evaluations in 30 iterations and reconstructs the standard, 364-projection FDK reconstruction quality image using only 60 projections. We then applied the algorithm to a clinically-treated head-and-neck patient. It was observed that the GPBB-SFE algorithm requires only 18 function evaluations in 30 iterations. Compared with the FDK algorithm with 364 projections, the GPBB-SFE algorithm produces visibly equivalent quality CBCT image for the head-and-neck patient with only 180 projections, in 131.7 s, further supporting its clinical applicability.

Evaluation of nutritional value, characteristics, functional properties of Cymodocea nodosa and its benefits on health diseases.

PubMed

Kolsi, Rihab Ben Abdallah; Salah, Hichem Ben; Saidi, Saber Abdelkader; Allouche, Noureddine; Belghith, Hafedh; Belghith, Karima

2017-12-08

Nutritional fact study has prime importance to make the species edible and commercially viable to the food consumers. This is the first report that indicates the chemical characterization, functional, antioxidant and antihypertensive properties of Cymodocea nodosa to evaluate its nutritional status. Physico-chemical determination was determined by colorimetric and spectroscopic analysis. The functional and texture properties were evaluated since a desirable texture should be retained. Bioactive substances were determined by liquid chromatography-high resolution electrospray ionization mass spectrometry HPLC-DAD-ESI/MS2 analysis. Health benefit of this plant was highlighting by the antioxidant and antihypertensive potentials. Results showed that the seagrass powder was characterized by a high content of fibers (56.4%), the fatty acids profile was dominated by the oleic acid, which represents about 62.0% of the total fatty acids and the functional properties proved important values of swelling capacity (6.71 ± 0.2) and water holding capacity (12.26 ± 0.25), that were comparable to those of some foodstuffs. Finally, the physico-chemical analysis shows the wealth in phenolic compounds, that could be explained by the high antioxidant and antihypertensive ability which was concentration dependent. The results from this study suggested that this marine plant could be utilized as a healthy food item for human consumption.

Improving cell therapy – experiments using transplanted telomerase-immortalized cells in immunodeficient mice

PubMed Central

Huang, Qin; Chen, Meizhen; Liang, Sitai; Acha, Victor; Liu, Dan; Yuan, Furong; Hawks, Christina L.; Hornsby, Peter J.

2007-01-01

Cell therapy is the use of stem cells and other types of cells in various therapies for age-related diseases. Two issues that must be addressed before cell therapy could be used routinely in medicine are improved efficacy of the transplanted cells and demonstrated long-term safety. Desirable genetic modifications that could be made to cells to be used for cell therapy include immortalization with hTERT (human telomerase reverse transcriptase). We have used a model for cell therapy in which transplantation of adrenocortical cells restores glucocorticoid and mineralocorticoid hormone levels in adrenalectomized immunodeficient mice. In this model, clones of cells that had been immortalized with hTERT were shown to be able to replace the function of the animals'adrenal glands by forming vascularized tissue structures when cells were transplanted beneath the capsule of the kidney. hTERT-modified cells showed no tendency for neoplastic changes. Moreover, a series of experiments showed that hTERT does not cooperate with known oncoproteins in tumorigenesis either in adrenocortical cells or in human fibroblasts. Nevertheless, hTERT was required for tumorigenesis when cells were implanted subcutaneously rather than in the subrenal capsule space. Changes in gene expression make hTERT-modified cells more robust. Understanding these changes is important so as to be able to separately control immortalization and other desirable properties of cells that could be used in cell therapy. Alternatively, desirable properties of transplants might be provided by co-transplanted mesenchymal cells: mesenchymal cell-assisted cell therapy. For both hTERT modification and mesenchymal cell-assisted cell therapy, genomics approaches will be needed to define what genetic modifications are desirable and safe in cells used in cell therapy. PMID:17123586

Desirable properties of wood for sustainable development in the twenty-first century

Treesearch

Kenneth E. Skog; Theodore H. Wegner; Ted Bilek; Charles H. Michler

2015-01-01

We previously identified desirable properties for wood based on current market-based trends for commercial uses (Wegner et al. 2010). World business models increasingly incorporate the concept of social responsibility and the tenets of sustainable development. Sustainable development is needed to support an estimated 9 billion people by 2050 within the carrying...

Desiring Diversity and Backlash: White Property Rights in Higher Education

ERIC Educational Resources Information Center

Patel, Leigh

2015-01-01

In this theoretical essay, I argue that the current incidences of backlash to diversity are best understood as a dynamic of complicated, historic and intertwined desires for racial diversity and white entitlement to property. I frame this argument in the theories of critical race theory and settler colonialism, each of which provide necessary but…

Optimization of Martian regolith and ultra-high molecular weight polyethylene composites for radiation shielding and habitat structures

NASA Astrophysics Data System (ADS)

Wilkins, Richard; Gersey, Brad; Baburaj, Abhijit; Barnett, Milan; Zhou, Xianren

2012-07-01

In preparation for long duration missions to the moon, Mars or, even near earth asteroids, one challenge, amongst many others, that the space program faces is shielding against space radiation. It is difficult to effectively shield all sources of space radiation because of the broad range of types and high energies found in space, so the most important goal is to minimize the damaging effects that may occur to humans and electronics during long duration space flight. For a long duration planetary habitat, a shielding option is to use in situ resources such as the native regolith. A possible way to utilize regolith on a planet is to combine it with a binder to form a structural material that also exhibits desirable shielding properties. In our studies, we explore Martian regolith and ultra-high molecular weight polyethylene (UHMWPE) composites. We selected UHMWPE as the binder in our composites due to its high hydrogen content; a desirable characteristic for shielding materials in a space environment. Our initial work has focused on the process of developing the right ratio of simulated Martian regolith and UHMWPE to yield the best results in material endurance and strength, while retaining good shielding characteristics. Another factor in our optimization process is to determine the composite ratio that minimizes the amount of ex situ UHMWPE while retaining desirable structural and shielding properties. This consideration seeks to minimize mission weight and costs. Mechanical properties such as tensile strength of the Martian regolith/UHMWPE composite as a function of its grain size, processing parameters, and different temperature variations used are discussed. The radiation shielding effectiveness of loose mixtures of Martian regolith/ UHMWPE is evaluated using a 200 MeV proton beam and a tissue equivalent proportional counter. Preliminary results show that composites with an 80/20 ratio percent weight of regolith to UHMWPE can be fabricated with potentially useful structural strength. I n addition, Martian regolith, while not as efficient as polyethylene at reducing proton energy as a function of shield thickness, compares well with polyethylene at shielding the 200 MeV protons. These preliminary results indicate that native Martian regolith has promising properties as a habitat material for future human missions. Future work studying the shielding effectiveness and radiation tolerance will also be discussed.

Biomineralization-inspired synthesis of functional organic/inorganic hybrid materials: organic molecular control of self-organization of hybrids.

PubMed

Arakaki, Atsushi; Shimizu, Katsuhiko; Oda, Mayumi; Sakamoto, Takeshi; Nishimura, Tatsuya; Kato, Takashi

2015-01-28

Organisms produce various organic/inorganic hybrid materials, which are called biominerals. They form through the self-organization of organic molecules and inorganic elements under ambient conditions. Biominerals often have highly organized and hierarchical structures from nanometer to macroscopic length scales, resulting in their remarkable physical and chemical properties that cannot be obtained by simple accumulation of their organic and inorganic constituents. These observations motivate us to create novel functional materials exhibiting properties superior to conventional materials--both synthetic and natural. Herein, we introduce recent progress in understanding biomineralization processes at the molecular level and the development of organic/inorganic hybrid materials by these processes. We specifically outline fundamental molecular studies on silica, iron oxide, and calcium carbonate biomineralization and describe material synthesis based on these mechanisms. These approaches allow us to design a variety of advanced hybrid materials with desired morphologies, sizes, compositions, and structures through environmentally friendly synthetic routes using functions of organic molecules.

Creation of smart composites using an embroidery machine

NASA Astrophysics Data System (ADS)

Torii, Nobuhiro; Oka, Kosuke; Ikeda, Tadashige

2016-04-01

A smart composite with functional fibers and reinforcement fibers optimally placed with an embroidery machine was created. Fiber orientation affects mechanical properties of composite laminates significantly. Accordingly, if the fibers can be placed along a desired curved path, fiber reinforced plastic (FRP) structures can be designed more lightly and more sophisticatedly. To this end a tailored fiber placement method using the embroidery machine have been studied. To add functions to the FRP structures, shape memory alloy (SMA) wires were placed as functional fibers. First, for a certain purpose the paths of the reinforcement fibers and the SMA wires were simultaneously optimized in analysis. Next, the reinforcement fibers and tubes with the SMA wires were placed on fabrics by using the embroidery machine and this fabric was impregnated with resin by using the vacuum assisted resin transfer molding method. This smart composite was activated by applying voltage to the SMA wires. Fundamental properties of the smart composite were examined and the feasibility of the proposed creation method was shown.

Multifunctional Polymer Nanocomposites

NASA Astrophysics Data System (ADS)

Galaska, Alexandra Maria; Song, Haixiang; Guo, Zhanhu

With more awareness of energy conversion/storage and saving, different strategies have been developed to utilize the sustainable and renewable energy. Introducing nanoscale fillers can make inert polymer matrix possess unique properties to satisfy certain functions. For example, alumina nanoparticles have strengthened the weak thermosetting polymers. A combined mixture of carbon nanofibers and magnetite nanoparticles have made the inert epoxy sensitive for magnetic field for sensing applications. Introducing silica nanoparticles into conductive polymers such as polyaniline has enhanced the giant magnetoresistance behaviors. The introduced nanoparticles have made the transparent polymer have the electromagnetic interference (EMI) shielding function while reduce the density significantly. With the desired miniaturization, the materials combining different functionalities have become importantly interesting. In this talk, methodologies to prepare nanocomposites and their effects on the produced nanocomposites will be discussed. A variety of advanced polymer nanocomposites will be introduced. Unique properties including mechanical, electrical, magnetoresistance etc. and the applications for environmental remediation, energy storage/saving, fire retardancy, electromagnetic interference shielding, and electronic devices will be presented.

Bayesian molecular design with a chemical language model

NASA Astrophysics Data System (ADS)

Ikebata, Hisaki; Hongo, Kenta; Isomura, Tetsu; Maezono, Ryo; Yoshida, Ryo

2017-04-01

The aim of computational molecular design is the identification of promising hypothetical molecules with a predefined set of desired properties. We address the issue of accelerating the material discovery with state-of-the-art machine learning techniques. The method involves two different types of prediction; the forward and backward predictions. The objective of the forward prediction is to create a set of machine learning models on various properties of a given molecule. Inverting the trained forward models through Bayes' law, we derive a posterior distribution for the backward prediction, which is conditioned by a desired property requirement. Exploring high-probability regions of the posterior with a sequential Monte Carlo technique, molecules that exhibit the desired properties can computationally be created. One major difficulty in the computational creation of molecules is the exclusion of the occurrence of chemically unfavorable structures. To circumvent this issue, we derive a chemical language model that acquires commonly occurring patterns of chemical fragments through natural language processing of ASCII strings of existing compounds, which follow the SMILES chemical language notation. In the backward prediction, the trained language model is used to refine chemical strings such that the properties of the resulting structures fall within the desired property region while chemically unfavorable structures are successfully removed. The present method is demonstrated through the design of small organic molecules with the property requirements on HOMO-LUMO gap and internal energy. The R package iqspr is available at the CRAN repository.

Bayesian molecular design with a chemical language model.

PubMed

Ikebata, Hisaki; Hongo, Kenta; Isomura, Tetsu; Maezono, Ryo; Yoshida, Ryo

2017-04-01

The aim of computational molecular design is the identification of promising hypothetical molecules with a predefined set of desired properties. We address the issue of accelerating the material discovery with state-of-the-art machine learning techniques. The method involves two different types of prediction; the forward and backward predictions. The objective of the forward prediction is to create a set of machine learning models on various properties of a given molecule. Inverting the trained forward models through Bayes' law, we derive a posterior distribution for the backward prediction, which is conditioned by a desired property requirement. Exploring high-probability regions of the posterior with a sequential Monte Carlo technique, molecules that exhibit the desired properties can computationally be created. One major difficulty in the computational creation of molecules is the exclusion of the occurrence of chemically unfavorable structures. To circumvent this issue, we derive a chemical language model that acquires commonly occurring patterns of chemical fragments through natural language processing of ASCII strings of existing compounds, which follow the SMILES chemical language notation. In the backward prediction, the trained language model is used to refine chemical strings such that the properties of the resulting structures fall within the desired property region while chemically unfavorable structures are successfully removed. The present method is demonstrated through the design of small organic molecules with the property requirements on HOMO-LUMO gap and internal energy. The R package iqspr is available at the CRAN repository.

Nanostructured Gas Sensors for Health Care: An Overview

PubMed Central

Kaushik, Ajeet; Kumar, Rajesh; Jayant, Rahul Dev; Nair, Madhavan

2015-01-01

Nanostructured platforms have been utilized for fabrication of small, sensitive and reliable gas sensing devices owing to high functionality, enhanced charge transport and electro-catalytic property. As a result of globalization, rapid, sensitive and selective detection of gases in environment is essential for health care and security. Nonmaterial such as metal, metal oxides, organic polymers, and organic-inorganic hybrid nanocomposites exhibit interesting optical, electrical, magnetic and molecular properties, and hence are found potential gas sensing materials. Morphological, electrical, and optical properties of such nanostructures can be tailored via controlling the precursor concentration and synthesis conditions resulting to achieve desired sensing. This review presents applications of nano-enabling gas sensors to detect gases for environment monitoring. The recent update, challenges, and future vision for commercial applications of such sensor are also described here. PMID:26491544

Modulation, functionality, and cytocompatibility of three-dimensional printing materials made from chitosan-based polysaccharide composites.

PubMed

Wu, Chin-San

2016-12-01

The mechanical properties, cytocompatibility, and fabrication of three-dimensional (3D) printing strips of composite materials containing polylactide (PLA) and chitosan (CS) were evaluated. Maleic anhydride-grafted polylactide (PLA-g-MA) and CS were used to enhance the desired characteristics of these composites. The PLA-g-MA/CS materials exhibited better mechanical properties than the PLA/CS composites; this effect was attributed to a greater compatibility between the grafted polyester and CS. The water resistance of the PLA-g-MA/CS composites was greater than that of the PLA/CS composites; cytocompatibility evaluation with human foreskin fibroblasts (FBs) indicated that both materials were nontoxic. Moreover, CS enhanced the antibacterial activity properties of PLA-g-MA and PLA/CS composites. Copyright © 2016 Elsevier B.V. All rights reserved.

A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships

PubMed Central

Gronau, Greta; Krishnaji, Sreevidhya T.; Kinahan, Michelle E.; Giesa, Tristan; Wong, Joyce Y.; Kaplan, David L.; Buehler, Markus J.

2013-01-01

Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials – elastin, silk, and collagen – and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. PMID:22938765

A review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationships.

PubMed

Gronau, Greta; Krishnaji, Sreevidhya T; Kinahan, Michelle E; Giesa, Tristan; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

2012-11-01

Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials - elastin, silk, and collagen - and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. Copyright © 2012 Elsevier Ltd. All rights reserved.

Electronic and Optical Properties of Two-Dimensional GaN from First-Principles.

PubMed

Sanders, Nocona; Bayerl, Dylan; Shi, Guangsha; Mengle, Kelsey A; Kioupakis, Emmanouil

2017-12-13

Gallium nitride (GaN) is an important commercial semiconductor for solid-state lighting applications. Atomically thin GaN, a recently synthesized two-dimensional material, is of particular interest because the extreme quantum confinement enables additional control of its light-emitting properties. We performed first-principles calculations based on density functional and many-body perturbation theory to investigate the electronic, optical, and excitonic properties of monolayer and bilayer two-dimensional (2D) GaN as a function of strain. Our results demonstrate that light emission from monolayer 2D GaN is blueshifted into the deep ultraviolet range, which is promising for sterilization and water-purification applications. Light emission from bilayer 2D GaN occurs at a similar wavelength to its bulk counterpart due to the cancellation of the effect of quantum confinement on the optical gap by the quantum-confined Stark shift. Polarized light emission at room temperature is possible via uniaxial in-plane strain, which is desirable for energy-efficient display applications. We compare the electronic and optical properties of freestanding two-dimensional GaN to atomically thin GaN wells embedded within AlN barriers in order to understand how the functional properties are influenced by the presence of barriers. Our results provide microscopic understanding of the electronic and optical characteristics of GaN at the few-layer regime.

Biomimetic oral mucin from polymer micelle networks

NASA Astrophysics Data System (ADS)

Authimoolam, Sundar Prasanth

Mucin networks are formed by the complexation of bottlebrush-like mucin glycoprotein with other small molecule glycoproteins. These glycoproteins create nanoscale strands that then arrange into a nanoporous mesh. These networks play an important role in ensuring surface hydration, lubricity and barrier protection. In order to understand the functional behavior in mucin networks, it is important to decouple their chemical and physical effects responsible for generating the fundamental property-function relationship. To achieve this goal, we propose to develop a synthetic biomimetic mucin using a layer-by-layer (LBL) deposition approach. In this work, a hierarchical 3-dimensional structures resembling natural mucin networks was generated using affinity-based interactions on synthetic and biological surfaces. Unlike conventional polyelectrolyte-based LBL methods, pre-assembled biotin-functionalized filamentous (worm-like) micelles was utilized as the network building block, which from complementary additions of streptavidin generated synthetic networks of desired thickness. The biomimetic nature in those synthetic networks are studied by evaluating its structural and bio-functional properties. Structurally, synthetic networks formed a nanoporous mesh. The networks demonstrated excellent surface hydration property and were able capable of microbial capture. Those functional properties are akin to that of natural mucin networks. Further, the role of synthetic mucin as a drug delivery vehicle, capable of providing localized and tunable release was demonstrated. By incorporating antibacterial curcumin drug loading within synthetic networks, bacterial growth inhibition was also demonstrated. Thus, such bioactive interfaces can serve as a model for independently characterizing mucin network properties and through its role as a drug carrier vehicle it presents exciting future opportunities for localized drug delivery, in regenerative applications and as bio-functional implant coats. KEYWORDS: Biomimic, Bioapplication, Drug delivery, Filomicelle, Mucin, Polymer networks.

Polyamidoamine Dendrimers for Enhanced Solubility of Small Molecules and Other Desirable Properties for Site Specific Delivery: Insights from Experimental and Computational Studies.

PubMed

Shadrack, Daniel M; Swai, Hulda S; Munissi, Joan J E; Mubofu, Egid B; Nyandoro, Stephen S

2018-06-12

Clinical applications of many small molecules are limited due to poor solubility and lack of controlled release besides lack of other desirable properties. Experimental and computational studies have reported on the therapeutic potential of polyamidoamine (PAMAM) dendrimers as solubility enhancers in pre-clinical and clinical settings. Besides formulation strategies, factors such as pH, PAMAM dendrimer generation, PAMAM dendrimer concentration, nature of the PAMAM core, special ligand and surface modifications of PAMAM dendrimer have an influence on drug solubility and other recommendable pharmacological properties. This review, therefore, compiles the recently reported applications of PAMAM dendrimers in pre-clinical and clinical uses as enhancers of solubility and other desirable properties such as sustained and controlled release, bioavailability, bio-distribution, toxicity reduction or enhancement, and targeted delivery of small molecules with emphasis on cancer treatment.

Application of magnetoelastic materials in spatiotemporally modulated phononic crystals for nonreciprocal wave propagation

NASA Astrophysics Data System (ADS)

Ansari, M. H.; Attarzadeh, M. A.; Nouh, M.; Karami, M. Amin

2018-01-01

In this paper, a physical platform is proposed to change the properties of phononic crystals in space and time in order to achieve nonreciprocal wave transmission. The utilization of magnetoelastic materials in elastic phononic systems is studied. Material properties of magnetoelastic materials change significantly with an external magnetic field. This property is used to design systems with a desired wave propagation pattern. The properties of the magnetoelastic medium are changed in a traveling wave pattern, which changes in both space and time. A phononic crystal with such a modulation exhibits one-way wave propagation behavior. An extended transfer matrix method (TMM) is developed to model a system with time varying properties. The stop band and the pass band of a reciprocal and a nonreciprocal bar are found using this method. The TMM is used to find the transfer function of a magnetoelastic bar. The obtained results match those obtained via the theoretical Floquet-Bloch approach and numerical simulations. It is shown that the stop band in the transfer function of a system with temporal varying property for the forward wave propagation is different from the same in the backward wave propagation. The proposed configuration enables the physical realization of a class of smart structures that incorporates nonreciprocal wave propagation.

Cell-free protein synthesis: applications in proteomics and biotechnology.

PubMed

He, Mingyue

2008-01-01

Protein production is one of the key steps in biotechnology and functional proteomics. Expression of proteins in heterologous hosts (such as in E. coli) is generally lengthy and costly. Cell-free protein synthesis is thus emerging as an attractive alternative. In addition to the simplicity and speed for protein production, cell-free expression allows generation of functional proteins that are difficult to produce by in vivo systems. Recent exploitation of cell-free systems enables novel development of technologies for rapid discovery of proteins with desirable properties from very large libraries. This article reviews the recent development in cell-free systems and their application in the large scale protein analysis.

The role of mechanics in biological and bio-inspired systems.

PubMed

Egan, Paul; Sinko, Robert; LeDuc, Philip R; Keten, Sinan

2015-07-06

Natural systems frequently exploit intricate multiscale and multiphasic structures to achieve functionalities beyond those of man-made systems. Although understanding the chemical make-up of these systems is essential, the passive and active mechanics within biological systems are crucial when considering the many natural systems that achieve advanced properties, such as high strength-to-weight ratios and stimuli-responsive adaptability. Discovering how and why biological systems attain these desirable mechanical functionalities often reveals principles that inform new synthetic designs based on biological systems. Such approaches have traditionally found success in medical applications, and are now informing breakthroughs in diverse frontiers of science and engineering.

A Parameter-Free Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems.

PubMed

Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

2018-04-05

The method of constructing semilocal density functional for exchange in two dimensions using one of the premier approaches, i.e., density matrix expansion, is revisited, and an accurate functional is constructed. The form of the functional is quite simple and includes no adjustable semiempirical parameters. In it, the kinetic energy dependent momentum is used to compensate nonlocal effects of the system. The functional is then examined by considering the very well-known semiconductor quantum dot systems. And despite its very simple form, the results obtained for quantum dots containing a higher number of electrons agrees pretty well with that of the standard exact exchange theory. Some of the desired properties relevant for the two-dimensional exchange functional and the lower bound associated with it are also discussed. It is observed that the above parameter-free semilocal exchange functional satisfies most of the discussed conditions.

Neisseria meningitidis expressing lgtB lipopolysaccharide targets DC-SIGN and modulates dendritic cell function.

PubMed

Steeghs, Liana; van Vliet, Sandra J; Uronen-Hansson, Heli; van Mourik, Andries; Engering, Anneke; Sanchez-Hernandez, Martha; Klein, Nigel; Callard, Robin; van Putten, Jos P M; van der Ley, Peter; van Kooyk, Yvette; van de Winkel, Jan G J

2006-02-01

Neisseria meningitidis lipopolysaccharide (LPS) has been identified as a major determinant of dendritic cell (DC) function. Here we report that one of a series of meningococcal mutants with defined truncations in the lacto-N-neotetraose outer core of the LPS exhibited unique strong adhesion and internalization properties towards DC. These properties were mediated by interaction of the GlcNAc(beta1-3)-Gal(beta1-4)-Glc-R oligosaccharide outer core of lgtB LPS with the dendritic-cell-specific ICAM-3 grabbing non-integrin (DC-SIGN) lectin receptor. Activation of DC-SIGN with this novel oligosaccharide ligand skewed T-cell responses driven by DC towards T helper type 1 activity. Thus, the use of lgtB LPS may provide a powerful instrument to selectively induce the desired arm of the immune response and potentially increase vaccine efficacy.

Nanoscale determination of the mass enhancement factor in the lightly doped bulk insulator lead selenide.

PubMed

Zeljkovic, Ilija; Scipioni, Kane L; Walkup, Daniel; Okada, Yoshinori; Zhou, Wenwen; Sankar, R; Chang, Guoqing; Wang, Yung Jui; Lin, Hsin; Bansil, Arun; Chou, Fangcheng; Wang, Ziqiang; Madhavan, Vidya

2015-03-27

Bismuth chalcogenides and lead telluride/selenide alloys exhibit exceptional thermoelectric properties that could be harnessed for power generation and device applications. Since phonons play a significant role in achieving these desired properties, quantifying the interaction between phonons and electrons, which is encoded in the Eliashberg function of a material, is of immense importance. However, its precise extraction has in part been limited due to the lack of local experimental probes. Here we construct a method to directly extract the Eliashberg function using Landau level spectroscopy, and demonstrate its applicability to lightly doped thermoelectric bulk insulator PbSe. In addition to its high energy resolution only limited by thermal broadening, this novel experimental method could be used to detect variations in mass enhancement factor at the nanoscale level. This opens up a new pathway for investigating the local effects of doping and strain on the mass enhancement factor.

Graphene Statistical Mechanics

NASA Astrophysics Data System (ADS)

Bowick, Mark; Kosmrlj, Andrej; Nelson, David; Sknepnek, Rastko

2015-03-01

Graphene provides an ideal system to test the statistical mechanics of thermally fluctuating elastic membranes. The high Young's modulus of graphene means that thermal fluctuations over even small length scales significantly stiffen the renormalized bending rigidity. We study the effect of thermal fluctuations on graphene ribbons of width W and length L, pinned at one end, via coarse-grained Molecular Dynamics simulations and compare with analytic predictions of the scaling of width-averaged root-mean-squared height fluctuations as a function of distance along the ribbon. Scaling collapse as a function of W and L also allows us to extract the scaling exponent eta governing the long-wavelength stiffening of the bending rigidity. A full understanding of the geometry-dependent mechanical properties of graphene, including arrays of cuts, may allow the design of a variety of modular elements with desired mechanical properties starting from pure graphene alone. Supported by NSF grant DMR-1435794

Combining aminocyanine dyes with polyamide dendrons: a promising strategy for imaging in the near-infrared region.

PubMed

Ornelas, Cátia; Lodescar, Rachelle; Durandin, Alexander; Canary, James W; Pennell, Ryan; Liebes, Leonard F; Weck, Marcus

2011-03-21

Cyanine dyes are known for their fluorescence in the near-IR (NIR) region, which is desirable for biological applications. We report the synthesis of a series of aminocyanine dyes containing terminal functional groups such as acid, azide, and cyclooctyne groups for further functionalization through, for example, click chemistry. These aminocyanine dyes can be attached to polyfunctional dendrons by copper-catalyzed azide alkyne cycloaddition (CuAAC), strain-promoted azide alkyne cycloaddition (SPAAC), peptide coupling, or direct S(NR)1 reactions. The resulting dendron-dye conjugates were obtained in high yields and displayed high chemical stability and photostability. The optical properties of the new compounds were studied by UV/Vis and fluorescence spectroscopy. All compounds show large Stokes shifts and strong fluorescence in the NIR region with high quantum yields, which are optimal properties for in vivo optical imaging. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quaternary ammonium silane-functionalized, methacrylate resin composition with antimicrobial activities and self-repair potential

PubMed Central

Gong, Shi-qiang; Niu, Li-na; Kemp, Lisa K.; Yiu, Cynthia K.Y.; Ryou, Heonjune; Qi, Yi-pin; Blizzard, John D.; Nikonov, Sergey; Brackett, Martha G.; Messer, Regina L.W.; Wu, Christine D.; Mao, Jing; Brister, L. Bryan; Rueggeberg, Frederick A.; Arola, Dwayne D.; Pashley, David H.; Tay, Franklin R.

2012-01-01

Design of antimicrobial polymers for enhancing healthcare issues and minimizing environmental problems is an important endeavor with both fundamental and practical implications. Quaternary ammonium silane-functionalized methacrylate (QAMS) represents an example of antimicrobial macromonomers synthesized by a sol-gel chemical route; these compounds possess flexible Si-O-Si bonds. In present work, a partially-hydrolyzed QAMS copolymerized with bis-GMA is introduced. This methacrylate resin was shown to possess desirable mechanical properties with both a high degree of conversion and minimal polymerization shrinkage. Kill-on-contact microbiocidal activities of this resin were demonstrated using single-species biofilms of Streptococcus mutans (ATCC 36558), Actinomyces naeslundii (ATCC 12104) and Candida albicans (ATCC 90028). Improved mechanical properties after hydration provided the proof-of-concept that QAMS-incorporated resin exhibits self-repair potential via water-induced condensation of organic modified silicate (ormosil) phases within the polymerized resin matrix. PMID:22659173

Simplified curve fits for the thermodynamic properties of equilibrium air

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Tannehill, J. C.; Weilmuenster, K. J.

1987-01-01

New, improved curve fits for the thermodynamic properties of equilibrium air have been developed. The curve fits are for pressure, speed of sound, temperature, entropy, enthalpy, density, and internal energy. These curve fits can be readily incorporated into new or existing computational fluid dynamics codes if real gas effects are desired. The curve fits are constructed from Grabau-type transition functions to model the thermodynamic surfaces in a piecewise manner. The accuracies and continuity of these curve fits are substantially improved over those of previous curve fits. These improvements are due to the incorporation of a small number of additional terms in the approximating polynomials and careful choices of the transition functions. The ranges of validity of the new curve fits are temperatures up to 25 000 K and densities from 10 to the -7 to 10 to the 3d power amagats.

Material Innovation in Advancing Organometal Halide Perovskite Functionality.

PubMed

Zheng, Fan; Saldana-Greco, Diomedes; Liu, Shi; Rappe, Andrew M

2015-12-03

Organometal halide perovskites (OMHPs) have garnered much attention recently for their unprecedented rate of increasing power conversion efficiency (PCE), positioning them as a promising basis for the next-generation photovoltaic devices. However, the gap between the rapid increasing PCE and the incomplete understanding of the structure-property-performance relationship prevents the realization of the true potential of OMHPs. This Perspective aims to provide a concise overview of the current status of OMHP research, highlighting the unique properties of OMHPs that are critical for solar applications but still not adequately explained. Stability and performance challenges of OMHP solar cells are discussed, calling upon combined experimental and theoretical efforts to address these challenges for pioneering commercialization of OMHP solar cells. Various material innovation strategies for improving the performance and stability of OMHPs are surveyed, showing that the OMHP architecture can serve as a promising and robust platform for the design and optimization of materials with desired functionalities.

Transition-metal dichalcogenides heterostructure saturable absorbers for ultrafast photonics.

PubMed

Chen, Hao; Yin, Jinde; Yang, Jingwei; Zhang, Xuejun; Liu, Mengli; Jiang, Zike; Wang, Jinzhang; Sun, Zhipei; Guo, Tuan; Liu, Wenjun; Yan, Peiguang

2017-11-01

In this Letter, high-quality WS 2 film and MoS 2 film were vertically stacked on the tip of a single-mode fiber in turns to form heterostructure (WS 2 -MoS 2 -WS 2 )-based saturable absorbers with all-fiber integrated features. Their nonlinear saturable absorption properties were remarkable, such as a large modulation depth (∼16.99%) and a small saturable intensity (6.23  MW·cm -2 ). Stable pulses at 1.55 μm with duration as short as 296 fs and average power as high as 25 mW were obtained in an erbium-doped fiber laser system. The results demonstrate that the proposed heterostructures own remarkable nonlinear optical properties and offer a platform for adjusting nonlinear optical properties by stacking different transition-metal dichalcogenides or modifying the thickness of each layer, paving the way for engineering functional ultrafast photonics devices with desirable properties.

Self-regulation and the specificity of autobiographical memory in offenders.

PubMed

Neves, Daniela; Pinho, Maria S

Certain clinical populations exhibit an Overgeneral Autobiographical Memory (OAM), characterized by difficulty remembering specific events. One study has observed OAM for positive events in a group of offenders. This study analyzed the stability of the valence effect in the OAM of offenders, the executive control impairments facilitating OAM in offenders, and the relationship of self-esteem and social desirability with AM specificity. The specificity (Autobiographical Memory Test) and emotional properties of the AMs of 59 prisoners (30 men, 29 women) and a control group (29 men, 30 women) were compared. Social desirability, depression symptoms, self-esteem and executive functions (Mazes, Stroop, Verbal Fluency) were assessed. The offenders recalled fewer specific positive AMs than controls, and did not perceive the emotional intensity of their negative AMs to decrease over time, unlike the controls. The offenders' recall of specific negative AMs seemed to influence negatively their performance in the subsequent executive control tasks. Dysfunctional coping strategies in offenders were related to OAM, but not social desirability or self-esteem. Copyright © 2018 Elsevier Ltd. All rights reserved.

In Search of a Human Self-Regulation System

PubMed Central

Kelley, William M.; Wagner, Dylan D.; Heatherton, Todd F.

2015-01-01

The capacity for self-regulation allows people to control their thoughts, behaviors, emotions, and desires. In spite of this impressive ability, failures of self-regulation are common and contribute to numerous societal problems, from obesity to drug addiction. Such failures frequently occur following exposure to highly tempting cues, during negative moods, or after self-regulatory resources have been depleted. Here we review the available neuroscientific evidence regarding self-regulation and its failures. At its core, self-regulation involves a critical balance between the strength of an impulse and an individual’s ability to inhibit the desired behavior. Although neuroimaging and patient studies provide consistent evidence regarding the reward aspects of impulses and desires, the neural mechanisms that underlie the capacity for control have eluded consensus, with various executive control regions implicated in different studies. We outline the necessary properties for a self-regulation control system and suggest that the use of resting-state functional connectivity analyses may be useful for understanding how people regulate their behavior and why they sometimes fail in their attempts. PMID:25938728

Molecular Design of Bioinspired Nanostructures for Biomedical Applications: Synthesis, Self-Assembly and Functional Properties

NASA Astrophysics Data System (ADS)

Xu, Hesheng Victor; Zheng, Xin Ting; Mok, Beverly Yin Leng; Ibrahim, Salwa Ali; Yu, Yong; Tan, Yen Nee

2016-08-01

Biomolecules are the nanoscale building blocks of cells, which play multifaceted roles in the critical biological processes such as biomineralization in a living organism. In these processes, the biological molecules such as protein and nucleic acids use their exclusive biorecognition properties enabled from their unique chemical composition, shape and function to initiate a cascade of cellular events. The exceptional features of these biomolecules, coupled with the recent advancement in nanotechnology, have led to the emergence of a new research field that focuses on the molecular design of bioinspired nanostructures that inherit the extraordinary function of natural biomaterials. These “bioinspired” nanostructures could be formulated by biomimetic approaches through either self-assembling of biomolecules or acting as a biomolecular template/precursor to direct the synthesis of nanocomposite. In either situation, the resulting nanomaterials exhibit phenomenal biocompatibility, superb aqueous solubility and excellent colloidal stability, branding them exceptionally desirable for both in vitro and in vivo biomedical applications. In this review, we will present the recent developments in the preparation of “bioinspired” nanostructures through biomimetic self-assembly and biotemplating synthesis, as well as highlight their functional properties and potential applications in biomedical diagnostics and therapeutic delivery. Lastly, we will conclude this topic with some personal perspective on the challenges and future outlooks of the “bioinspired” nanostructures for nanomedicine.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gürel, Hikmet Hakan, E-mail: hhakan.gurel@kocaeli.edu.tr; Salmankurt, Bahadır

Graphene as a 2D material has unique chemical and electronic properties. Because of its unique physical, chemical, and electronic properties, its interesting shape and size make it a promising nanomaterial in many biological applications. However, the lower water-solubility and the irreversible aggregation due to the strong π-π stacking hinder the wide application of graphene nanosheets in biomedical field. Thus, graphene oxide (GO), one derivative of graphene, has been used more frequently in the biological system owing to its relatively higher water solubility and biocompatibility. Recently, it has been demonstrated that nanomaterials with different functional groups on the surface can bemore » used to bind the drug molecules with high affinity. GO has different functional groups such as H, OH and O on its surface; it can be a potential candidate as a drug carrier. The interactions of biomolecules and graphene like structures are long-ranged and very weak. Development of new techniques is very desirable for design of bioelectronics sensors and devices. In this work, we present first-principles spin polarized calculations within density functional theory to calculate effects of charging on DNA/RNA nucleobases on graphene oxide. It is shown that how modify structural and electronic properties of nucleobases on graphene oxide by applied charging.« less

Development and Validation of Capabilities to Measure Thermal Properties of Layered Monolithic U-Mo Alloy Plate-Type Fuel

NASA Astrophysics Data System (ADS)

Burkes, Douglas E.; Casella, Andrew M.; Buck, Edgar C.; Casella, Amanda J.; Edwards, Matthew K.; MacFarlan, Paul J.; Pool, Karl N.; Smith, Frances N.; Steen, Franciska H.

2014-07-01

The uranium-molybdenum (U-Mo) alloy in a monolithic form has been proposed as one fuel design capable of converting some of the world's highest power research reactors from the use of high enriched uranium to low enriched uranium. One aspect of the fuel development and qualification process is to demonstrate appropriate understanding of the thermal-conductivity behavior of the fuel system as a function of temperature and expected irradiation conditions. The purpose of this paper is to verify functionality of equipment installed in hot cells for eventual measurements on irradiated uranium-molybdenum (U-Mo) monolithic fuel specimens, refine procedures to operate the equipment, and validate models to extract the desired thermal properties. The results presented here demonstrate the adequacy of the equipment, procedures, and models that have been developed for this purpose based on measurements conducted on surrogate depleted uranium-molybdenum (DU-Mo) alloy samples containing a Zr diffusion barrier and clad in aluminum alloy 6061 (AA6061). The results are in excellent agreement with thermal property data reported in the literature for similar U-Mo alloys as a function of temperature.

Hyaluronic acid hydrogels for vocal fold wound healing

PubMed Central

Gaston, Joel; Thibeault, Susan L.

2013-01-01

The unique vibrational properties inherent to the human vocal fold have a significant detrimental impact on wound healing and scar formation. Hydrogels have taken prominence as a tissue engineered strategy to restore normal vocal structure and function as cellularity is low. The frequent vibrational and shear forces applied to, and present in this connective tissue make mechanical properties of such hydrogels a priority in this active area of research. Hyaluronic acid has been chemically modified in a variety of ways to address cell function while maintaining desirable tissue mechanical properties. These various modifications have had mixed results when injected in vivo typically resulting in better biomechanical function but not necessarily with a concomitant decrease in tissue fibrosis. Recent work has focused on seeding mesenchymal progenitor cells within 3D architecture of crosslinked hydrogels. The data from these studies demonstrate that this approach has a positive effect on cells in both early and late wound healing, but little work has been done regarding the biomechanical effects of these treatments. This paper provides an overview of the various hyaluronic acid derivatives, their crosslinking agents, and their effect when implanted into the vocal folds of various animal models. PMID:23507923

Hyaluronic acid hydrogels for vocal fold wound healing.

PubMed

Gaston, Joel; Thibeault, Susan L

2013-01-01

The unique vibrational properties inherent to the human vocal fold have a significant detrimental impact on wound healing and scar formation. Hydrogels have taken prominence as a tissue engineered strategy to restore normal vocal structure and function as cellularity is low. The frequent vibrational and shear forces applied to, and present in this connective tissue make mechanical properties of such hydrogels a priority in this active area of research. Hyaluronic acid has been chemically modified in a variety of ways to address cell function while maintaining desirable tissue mechanical properties. These various modifications have had mixed results when injected in vivo typically resulting in better biomechanical function but not necessarily with a concomitant decrease in tissue fibrosis. Recent work has focused on seeding mesenchymal progenitor cells within 3D architecture of crosslinked hydrogels. The data from these studies demonstrate that this approach has a positive effect on cells in both early and late wound healing, but little work has been done regarding the biomechanical effects of these treatments. This paper provides an overview of the various hyaluronic acid derivatives, their crosslinking agents, and their effect when implanted into the vocal folds of various animal models.

Multimodal switching of conformation and solubility in homocysteine derived polypeptides.

PubMed

Kramer, Jessica R; Deming, Timothy J

2014-04-16

We report the design and synthesis of poly(S-alkyl-L-homocysteine)s, which were found to be a new class of readily prepared, multiresponsive polymers that possess the unprecedented ability to respond in different ways to different stimuli, either through a change in chain conformation or in water solubility. The responsive properties of these materials are also effected under mild conditions and are completely reversible for all pathways. The key components of these polymers are the incorporation of water solubilizing alkyl functional groups that are integrated with precisely positioned, multiresponsive thioether linkages. This promising system allows multimodal switching of polypeptide properties to obtain desirable features, such as coupled responses to multiple external inputs.

Self-assembly into soft materials of molecules derived from naturallyoccurring fatty-acids

NASA Astrophysics Data System (ADS)

Zhang, Mohan

The self-assembly of molecular gelators has provided an attractive route for the construction of nanostructured materials with desired functionalities. A well-defined paradigm for the design of molecular gels is needed, but none has yet been established. One of the important challenges to defining this paradigm is the creation of structure-property correlations for gelators at different distance scales. This dissertation centers on gaining additional insights in the relationship between small changes in gelator structures derived from long-chain, naturally-occurring fatty acids and the properties of the corresponding gels. This approach offers a reasonable method to probe the rational design of molecular gelators. (Abstract shortened by ProQuest.).

An evaluation of sampling and full enumeration strategies for Fisher Jenks classification in big data settings

USGS Publications Warehouse

Rey, Sergio J.; Stephens, Philip A.; Laura, Jason R.

2017-01-01

Large data contexts present a number of challenges to optimal choropleth map classifiers. Application of optimal classifiers to a sample of the attribute space is one proposed solution. The properties of alternative sampling-based classification methods are examined through a series of Monte Carlo simulations. The impacts of spatial autocorrelation, number of desired classes, and form of sampling are shown to have significant impacts on the accuracy of map classifications. Tradeoffs between improved speed of the sampling approaches and loss of accuracy are also considered. The results suggest the possibility of guiding the choice of classification scheme as a function of the properties of large data sets.

Color TV: total variation methods for restoration of vector-valued images.

PubMed

Blomgren, P; Chan, T F

1998-01-01

We propose a new definition of the total variation (TV) norm for vector-valued functions that can be applied to restore color and other vector-valued images. The new TV norm has the desirable properties of 1) not penalizing discontinuities (edges) in the image, 2) being rotationally invariant in the image space, and 3) reducing to the usual TV norm in the scalar case. Some numerical experiments on denoising simple color images in red-green-blue (RGB) color space are presented.

A new solution-adaptive grid generation method for transonic airfoil flow calculations

NASA Technical Reports Server (NTRS)

Nakamura, S.; Holst, T. L.

1981-01-01

The clustering algorithm is controlled by a second-order, ordinary differential equation which uses the airfoil surface density gradient as a forcing function. The solution to this differential equation produces a surface grid distribution which is automatically clustered in regions with large gradients. The interior grid points are established from this surface distribution by using an interpolation scheme which is fast and retains the desirable properties of the original grid generated from the standard elliptic equation approach.

Poly(amidoamine) (PAMAM) dendrimers: from biomimicry to drug delivery and biomedical applications.

PubMed

Esfand, R; Tomalia, D A.

2001-04-01

Poly(amidoamine) (PAMAM) dendrimers are the first complete dendrimer family to be synthesized, characterized and commercialized. Based on this extensive activity, they are recognized as a unique new class of synthetic nanostructures. Dendrimers allow the precise control of size, shape and placement of functional groups that is desirable for many life science applications. From this perspective, this review focuses on crucial properties of biomimetic dendrimers that will broaden the potential for their use as macromolecular vectors in novel drug delivery and biomedical applications.

Multi-Functional Macromers for Hydrogel Design in Biomedical Engineering and Regenerative Medicine

PubMed Central

Hacker, Michael C.; Nawaz, Hafiz Awais

2015-01-01

Contemporary biomaterials are expected to provide tailored mechanical, biological and structural cues to encapsulated or invading cells in regenerative applications. In addition, the degradative properties of the material also have to be adjustable to the desired application. Oligo- or polymeric building blocks that can be further cross-linked into hydrogel networks, here addressed as macromers, appear as the prime option to assemble gels with the necessary degrees of freedom in the adjustment of the mentioned key parameters. Recent developments in the design of multi-functional macromers with two or more chemically different types of functionalities are summarized and discussed in this review illustrating recent trends in the development of advanced hydrogel building blocks for regenerative applications. PMID:26610468

Multi-Functional Macromers for Hydrogel Design in Biomedical Engineering and Regenerative Medicine.

PubMed

Hacker, Michael C; Nawaz, Hafiz Awais

2015-11-19

Contemporary biomaterials are expected to provide tailored mechanical, biological and structural cues to encapsulated or invading cells in regenerative applications. In addition, the degradative properties of the material also have to be adjustable to the desired application. Oligo- or polymeric building blocks that can be further cross-linked into hydrogel networks, here addressed as macromers, appear as the prime option to assemble gels with the necessary degrees of freedom in the adjustment of the mentioned key parameters. Recent developments in the design of multi-functional macromers with two or more chemically different types of functionalities are summarized and discussed in this review illustrating recent trends in the development of advanced hydrogel building blocks for regenerative applications.

Three-dimensional desirability spaces for quality-by-design-based HPLC development.

PubMed

Mokhtar, Hatem I; Abdel-Salam, Randa A; Hadad, Ghada M

2015-04-01

In this study, three-dimensional desirability spaces were introduced as a graphical representation method of design space. This was illustrated in the context of application of quality-by-design concepts on development of a stability indicating gradient reversed-phase high-performance liquid chromatography method for the determination of vinpocetine and α-tocopheryl acetate in a capsule dosage form. A mechanistic retention model to optimize gradient time, initial organic solvent concentration and ternary solvent ratio was constructed for each compound from six experimental runs. Then, desirability function of each optimized criterion and subsequently the global desirability function were calculated throughout the knowledge space. The three-dimensional desirability spaces were plotted as zones exceeding a threshold value of desirability index in space defined by the three optimized method parameters. Probabilistic mapping of desirability index aided selection of design space within the potential desirability subspaces. Three-dimensional desirability spaces offered better visualization and potential design spaces for the method as a function of three method parameters with ability to assign priorities to this critical quality as compared with the corresponding resolution spaces. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Long conducting polymer nanonecklaces with a `beads-on-a-string' morphology: DNA nanotube-template synthesis and electrical properties

NASA Astrophysics Data System (ADS)

Chen, Guofang; Mao, Chengde

2016-05-01

Complex and functional nanostructures are always desired. Herein, we present the synthesis of novel long conducting polymer nanonecklaces with a `beads-on-a-string' morphology by the DNA nanotube-template approach and in situ oxidative polymerization of the 3-methylthiophene monomer with FeCl3 as the oxidant/catalyst. The length of the nanonecklaces is up to 60 μm, and the polymer beads of around 20-25 nm in diameter are closely packed along the axis of the DNA nanotube template with a density of ca. 45 particles per μm. The formation of porous DNA nanotubes impregnated with FeCl3 was also demonstrated as intermediate nanostructures. The mechanisms for the formation of both the porous DNA nanotubes and the conducting polymer nanonecklaces are discussed in detail. The as-synthesized polymer/DNA nanonecklaces exhibit good electrical properties.Complex and functional nanostructures are always desired. Herein, we present the synthesis of novel long conducting polymer nanonecklaces with a `beads-on-a-string' morphology by the DNA nanotube-template approach and in situ oxidative polymerization of the 3-methylthiophene monomer with FeCl3 as the oxidant/catalyst. The length of the nanonecklaces is up to 60 μm, and the polymer beads of around 20-25 nm in diameter are closely packed along the axis of the DNA nanotube template with a density of ca. 45 particles per μm. The formation of porous DNA nanotubes impregnated with FeCl3 was also demonstrated as intermediate nanostructures. The mechanisms for the formation of both the porous DNA nanotubes and the conducting polymer nanonecklaces are discussed in detail. The as-synthesized polymer/DNA nanonecklaces exhibit good electrical properties. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01603k

Measuring Social Desirability amongst Men with Intellectual Disabilities: The Psychometric Properties of the Self- and Other-Deception Questionnaire-Intellectual Disabilities

ERIC Educational Resources Information Center

Langdon, Peter E.; Clare, Isabel C. H.; Murphy, Glynis H.

2010-01-01

Background: Social desirability has been construed as either inaccurately attributing positive characteristics to oneself (self-deception), or inaccurately denying that one possesses undesirable characteristics to others (other-deception or impression management). These conceptualisations of social desirability have not been considered in relation…

Adolescent Desire for Cosmetic Surgery: Associations with Bullying and Psychological Functioning.

PubMed

Lee, Kirsty; Guy, Alexa; Dale, Jeremy; Wolke, Dieter

2017-05-01

Adolescent bullying may be a key driver of interest in cosmetic surgery. This study examined the extent of such interest and whether any effect was sex-specific, and examined psychological functioning as a potential mechanism through which bullying involvement may lead to a wish for cosmetic surgery. A two-stage design was used. In the first stage, 2782 adolescents (aged 11 to 16 years) were screened for bullying involvement using self-reports and peer nominations. In the second stage, 752 adolescents who were bullies, victims, bully-victims, or uninvolved in bullying reported their desire for cosmetic surgery. Psychological functioning was constructed as a composite of self-esteem and emotional problems (assessed at stage 1) and body-esteem scores (assessed at stage 2). Adolescents involved in bullying in any role were significantly more interested in cosmetic surgery than uninvolved adolescents. Desire for cosmetic surgery was greatest in adolescents who were bullied (victims and bully-victims) and girls. Desire for cosmetic surgery was highest in girls, but sex did not interact with bullying role. Being victimized by peers resulted in poor psychological functioning, which increased desire for cosmetic surgery. In contrast, desire for cosmetic surgery in bullies was not related to psychological functioning, which was in the normal range. Bullying victimization is related to poor psychological functioning, and both are related to a greater desire for cosmetic surgery in adolescents. Cosmetic surgeons should screen candidates for psychological vulnerability and may want to include a short screening questionnaire for a history of peer victimization.

Formally verifying Ada programs which use real number types

NASA Technical Reports Server (NTRS)

Sutherland, David

1986-01-01

Formal verification is applied to programs which use real number arithmetic operations (mathematical programs). Formal verification of a program P consists of creating a mathematical model of F, stating the desired properties of P in a formal logical language, and proving that the mathematical model has the desired properties using a formal proof calculus. The development and verification of the mathematical model are discussed.

Method for creating polynucleotide and polypeptide sequences

NASA Technical Reports Server (NTRS)

Arnold, Frances (Inventor); Volkov, Alexander (Inventor); Shao, Zhixin (Inventor)

2003-01-01

The invention provides methods for evolving a polynucleotide toward acquisition of a desired property. Such methods entail incubating a population of parental polynucleotide variants under conditions to generate annealed polynucleotides comprising heteroduplexes. The heteroduplexes are then exposed to a cellular DNA repair system to convert the heteroduplexes to parental polynucleotide variants or recombined polynucleotide variants. The resulting polynucleotides are then screened or selected for the desired property.

Quantum-Mechanical Combinatorial Design of Solids having Target Properties

NASA Astrophysics Data System (ADS)

Zunger, Alex

2007-03-01

(1) One of the most striking aspects of solid state physics is the diversity of structural forms in which crystals appear in Nature. Not only are there many distinct crystal-types, but combinations of two or more crystalline materials (alloys) give rise to various local geometric atomic patters. The already rich repertoire of such forms has recently been significantly enhanced by the advent of artificial crystal growth techniques (MBE, STM- atom positioning, etc.) that can create desired structural forms, such as superlattices and impurity clusters even in defiance of the rules of equilibrium thermodynamics. (2) At the same time, the fields of chemistry of nanostructures and physics of structural phase-transitions have long revealed that different atomic configurations generally lead to different physical properties even without altering the chemical makeup. While the most widely - known illustration of such ``form controls function'' rule is the dramatically different color, conductivity and hardness of the allotropical forms of pure carbon (diamond,graphite, C60), the physics of semiconductor superstructures and nanostructures is full of striking examples of how optical, magnetic and transport properties depend sensitively on atomic configuration. (3) Yet, the history of material research has generally occurred via accidental discoveries of material structures having interesting physical property (semiconductivity, ferromagnetism; superconductivity etc.). This begs the question: can this discovery process be inverted, i.e. can we first articulate a desired target physical property, then search (within a class) for the configuration that has this property? (4) The number of potentially interesting atomic configurations exhibits a combinatorial explosion, so even fast synthesis or fast computations can not survey all. (5) This talk describes the recent steps made by solid state theory + computational physics to address this ``Inverse Design'' (Franceschetti & Zunger, Nature, 402, 60 (1999) problem. I will show how Genetic Algorithms, in combination with efficient (``Order N'') solutions to the Pseudopotential Schrodinger equation allow us to investigate astronomical spaces of atomic configurations in search of the structure with a target physical property. Only a small fraction of all (˜ 10**14 in our case) configurations need to be examined. Physical properties are either calculated on-the-fly (if it's easy), or first ``Cluster-Expanded'' (if the theory is difficult). I will illustrate this Inverse Band Structure approach for (a) Design of required band-gaps in semiconductor superlattices; (b) architecture of impurity --clusters with desired optical properties (PRL 97, 046401, 2006) (c) search for configuration of magnetic ions in semiconductors that maximize the ferromagnetic Curie temperature (PRL, 97, 047202, 2006).

Extraction, composition, and functional properties of dried alfalfa (Medicago sativa L.) leaf protein.

PubMed

Hojilla-Evangelista, Mila P; Selling, Gordon W; Hatfield, Ronald; Digman, Matthew

2017-02-01

Alfalfa is considered a potential feedstock for biofuels; co-products with value-added uses would enhance process viability. This work evaluated dried alfalfa leaves for protein production and describes the functional properties of the protein. Dried alfalfa leaves contained 260 g kg -1 dry basis (DB) crude protein, with albumins being the major fraction (260 g kg -1 of total protein). Alkali solubilization for 2 h at 50 °C, acid precipitation, dialysis, and freeze-drying produced a protein concentrate (600 g kg -1 DB crude protein). Alfalfa leaf protein concentrate showed moderate solubility (maximum 500 g kg -1 soluble protein from pH 5.5 to 10), excellent emulsifying properties (activity 158-219 m 2  g -1 protein, stability 17-49 min) and minimal loss of solubility during heating at pH ≥ 7.0. It is technically feasible to extract protein with desirable emulsifying and heat stability properties from dried alfalfa leaves; however, the dried form may not be a practical starting material for protein production, given the difficulty of achieving high yields and high-purity protein product. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Computational designing and screening of solid materials for CO2capture

NASA Astrophysics Data System (ADS)

Duan, Yuhua

In this presentation, we will update our progress on computational designing and screening of solid materials for CO2 capture. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials have been proposed and validated at NETL. The advantage of this method is that it identifies the thermodynamic properties of the CO2 capture reaction as a function of temperature and pressure without any experimental input beyond crystallographic structural information of the solid phases involved. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to identify only those solid materials for which lower capture energy costs are expected at the desired working conditions. In addition, we present a simulation scheme to increase and decrease the turnover temperature (Tt) of solid capturing CO2 reaction by mixing other solids. Our results also show that some solid sorbents can serve as bi-functional materials: CO2 sorbent and CO oxidation catalyst. Such dual functionality could be used for removing both CO and CO2 after water-gas-shift to obtain pure H2.

From Protein Engineering to Immobilization: Promising Strategies for the Upgrade of Industrial Enzymes

PubMed Central

Singh, Raushan Kumar; Tiwari, Manish Kumar; Singh, Ranjitha; Lee, Jung-Kul

2013-01-01

Enzymes found in nature have been exploited in industry due to their inherent catalytic properties in complex chemical processes under mild experimental and environmental conditions. The desired industrial goal is often difficult to achieve using the native form of the enzyme. Recent developments in protein engineering have revolutionized the development of commercially available enzymes into better industrial catalysts. Protein engineering aims at modifying the sequence of a protein, and hence its structure, to create enzymes with improved functional properties such as stability, specific activity, inhibition by reaction products, and selectivity towards non-natural substrates. Soluble enzymes are often immobilized onto solid insoluble supports to be reused in continuous processes and to facilitate the economical recovery of the enzyme after the reaction without any significant loss to its biochemical properties. Immobilization confers considerable stability towards temperature variations and organic solvents. Multipoint and multisubunit covalent attachments of enzymes on appropriately functionalized supports via linkers provide rigidity to the immobilized enzyme structure, ultimately resulting in improved enzyme stability. Protein engineering and immobilization techniques are sequential and compatible approaches for the improvement of enzyme properties. The present review highlights and summarizes various studies that have aimed to improve the biochemical properties of industrially significant enzymes. PMID:23306150

Random mutagenesis by error-prone pol plasmid replication in Escherichia coli.

PubMed

Alexander, David L; Lilly, Joshua; Hernandez, Jaime; Romsdahl, Jillian; Troll, Christopher J; Camps, Manel

2014-01-01

Directed evolution is an approach that mimics natural evolution in the laboratory with the goal of modifying existing enzymatic activities or of generating new ones. The identification of mutants with desired properties involves the generation of genetic diversity coupled with a functional selection or screen. Genetic diversity can be generated using PCR or using in vivo methods such as chemical mutagenesis or error-prone replication of the desired sequence in a mutator strain. In vivo mutagenesis methods facilitate iterative selection because they do not require cloning, but generally produce a low mutation density with mutations not restricted to specific genes or areas within a gene. For this reason, this approach is typically used to generate new biochemical properties when large numbers of mutants can be screened or selected. Here we describe protocols for an advanced in vivo mutagenesis method that is based on error-prone replication of a ColE1 plasmid bearing the gene of interest. Compared to other in vivo mutagenesis methods, this plasmid-targeted approach allows increased mutation loads and facilitates iterative selection approaches. We also describe the mutation spectrum for this mutagenesis methodology in detail, and, using cycle 3 GFP as a target for mutagenesis, we illustrate the phenotypic diversity that can be generated using our method. In sum, error-prone Pol I replication is a mutagenesis method that is ideally suited for the evolution of new biochemical activities when a functional selection is available.

Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles.

PubMed

Klauke, Karsten; Zaitsau, Dzmitry H; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P; Janiak, Christoph

2018-04-03

Three selenoether-functionalized ionic liquids (ILs) of N-[(phenylseleno)methylene]pyridinium (1), N-(methyl)- (2) and N-(butyl)-N'-[(phenylseleno)methylene]imidazolium (3) with bis(trifluoromethanesulfonyl)imide anions ([NTf2]) were prepared from pyridine, N-methylimidazole and N-butylimidazole with in situ obtained phenylselenomethyl chloride, followed by ion exchange to give the desired compounds. The crystal structures of the bromide and tetraphenylborate salts of the above cations (1-Br, 2-BPh4 and 3-BPh4) confirm the formation of the desired cations and indicate a multitude of different supramolecular interactions besides the dominating Coulomb interactions between the cations and anions. The vaporization enthalpies of the synthesized [NTf2]-containing ILs were determined by means of a quartz-crystal microbalance method (QCM) and their densities were measured with an oscillating U-tube. These thermodynamic data have been used to develop a method for assessment of miscibility of conventional solvents in the selenium-containing ILs by using Hildebrandt solubility parameters, as well as for modeling with the electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) method. Furthermore, structure-property relations between selenoether-functionalized and similarly shaped corresponding aryl-substituted imidazolium- and pyridinium-based ILs were analyzed and showed that the contribution of the selenium moiety to the enthalpy of vaporization of an IL is equal to the contribution of a methylene (CH2) group. An incremental approach to predict vaporization enthalpies of ILs by a group contribution method has been developed. The reaction of these ILs with zinc acetate dihydrate under microwave irradiation led to ZnSe nanoparticles of an average diameter between 4 and 10 nm, depending on the reaction conditions.

Controlled Fabrication of Functional Capsules Based on the Synergistic Interaction between Polyphenols and MOFs under Weak Basic Condition.

PubMed

Wang, Hui; Zhu, Wei; Ping, Yuan; Wang, Chen; Gao, Ning; Yin, Xianpeng; Gu, Chen; Ding, Dan; Brinker, C Jeffrey; Li, Guangtao

2017-04-26

Metal-organic coordination materials with controllable nanostructures are of widespread interest due to the coupled benefits of inorganic/organic building blocks and desired architectures. In this work, based on the finding of a synergistic interaction between metal-organic frameworks (MOFs) and natural polyphenols under weak basic condition, a facile strategy has been developed for directly fabricating diverse phenolic-inspired functional materials or metal-phenolic frameworks (MPFs) with controlled hollow nanostructures (polyhedral core-shell, rattle-like, hollow cage, etc.) and controllable size, morphology, and roughness, as well as composition. By further incorporating the diverse functionalities of polyphenols such as low toxicity and therapeutic properties, catalytic activity, and ability to serve as carbon precursors, into the novel assemblies, diverse artificially designed nanoarchitectures with target functionalities have been generated for an array of applications.

Artificial nacre-like papers based on noncovalent functionalized boron nitride nanosheets with excellent mechanical and thermally conductive properties

NASA Astrophysics Data System (ADS)

Zeng, Xiaoliang; Ye, Lei; Yu, Shuhui; Li, Hao; Sun, Rong; Xu, Jianbin; Wong, Ching-Ping

2015-04-01

Inspired by the nano/microscale hierarchical structure and the precise inorganic/organic interface of natural nacre, we fabricated artificial nacre-like papers based on noncovalent functionalized boron nitride nanosheets (NF-BNNSs) and poly(vinyl alcohol) (PVA) via a vacuum-assisted self-assembly technique. The artificial nacre-like papers exhibit excellent tensile strength (125.2 MPa), on a par with that of the natural nacre, and moreover display a 30% higher toughness (2.37 MJ m-3) than that of the natural nacre. These excellent mechanical properties result from an ordered `brick-and-mortar' arrangement of NF-BNNSs and PVA, in which the long-chain PVA molecules act as the bridge to link NF-BNNSs via hydrogen bonds. The resulting papers also render high thermal conductivity (6.9 W m-1 K-1), and reveal their superiority as flexible substrates to support light-emitting-diode chips. The combined mechanical and thermal properties make the materials highly desirable as flexible substrates for next-generation commercial portable electronics.Inspired by the nano/microscale hierarchical structure and the precise inorganic/organic interface of natural nacre, we fabricated artificial nacre-like papers based on noncovalent functionalized boron nitride nanosheets (NF-BNNSs) and poly(vinyl alcohol) (PVA) via a vacuum-assisted self-assembly technique. The artificial nacre-like papers exhibit excellent tensile strength (125.2 MPa), on a par with that of the natural nacre, and moreover display a 30% higher toughness (2.37 MJ m-3) than that of the natural nacre. These excellent mechanical properties result from an ordered `brick-and-mortar' arrangement of NF-BNNSs and PVA, in which the long-chain PVA molecules act as the bridge to link NF-BNNSs via hydrogen bonds. The resulting papers also render high thermal conductivity (6.9 W m-1 K-1), and reveal their superiority as flexible substrates to support light-emitting-diode chips. The combined mechanical and thermal properties make the materials highly desirable as flexible substrates for next-generation commercial portable electronics. Electronic supplementary information (ESI) available: TEM images of NF-BNNSs, Raman spectra of raw h-BN and BNNSs, TGA curves of raw BN and NF-BNNSs, XRD patterns of NF-BNNS-PVA papers and pure BNNS papers, optical images of NF-BNNS-PVA papers and pure BNNS papers, TGA curves of NF-BNNS-PVA papers, stress-strain curves of the NF-BNNS-PMMA papers as a function of PMMA contents, typical DSC curves of blank, sapphire, and samples to calculate the CP of samples, measurement of in-plane thermal conductivity, summary of the mechanical properties of the papers measured by tensile testing, comparison of mechanical properties of our artificial nacre with the natural nacre and the reported graphene and graphene oxide papers, a summary of the detailed sample information and thermal properties. See DOI: 10.1039/c5nr00228a

Synergism of Dewetting and Self-Wrinkling To Create Two-Dimensional Ordered Arrays of Functional Microspheres.

PubMed

Han, Xue; Hou, Jing; Xie, Jixun; Yin, Jian; Tong, Yi; Lu, Conghua; Möhwald, Helmuth

2016-06-29

Here we report a simple, novel, yet robust nonlithographic method for the controlled fabrication of two-dimensional (2-D) ordered arrays of polyethylene glycol (PEG) microspheres. It is based on the synergistic combination of two bottom-up processes enabling periodic structure formation for the first time: dewetting and the mechanical wrinkle formation. The deterministic dewetting results from the hydrophilic polymer PEG on an incompatible polystyrene (PS) film bound to a polydimethylsiloxane (PDMS) substrate, which is directed both by a wrinkled template and by the template-directed in-situ self-wrinkling PS/PDMS substrate. Two strategies have been introduced to achieve synergism to enhance the 2-D ordering, i.e., employing 2-D in-situ self-wrinkling substrates and boundary conditions. As a result, we achieve highly ordered 2-D arrays of PEG microspheres with desired self-organized microstructures, such as the array location (e.g., selectively on the crest/in the valley of the wrinkles), diameter, spacing of the microspheres, and array direction. Additionally, the coordination of PEG with HAuCl4 is utilized to fabricate 2-D ordered arrays of functional PEG-HAuCl4 composite microspheres, which are further converted into different Au nanoparticle arrays. This simple versatile combined strategy could be extended to fabricate highly ordered 2-D arrays of other functional materials and achieve desirable properties and functionalities.

Oxygenation-linked subunit interactions in human hemoglobin: analysis of linkage functions for constituent energy terms.

PubMed

Johnson, M L; Halvorson, H R; Ackers, G K

1976-11-30

Resolution of the linkage functions between oxygenation and subunit association-dissociation equilibria in human hemoglobin into the constituent microscopic terms has been explored by numerical simulation and least-squares analysis. The correlation properties between parameters has been studied using several choices of parameter sets in order to optimize resolution. It is found that, with currently available levels of experimental precision and ranges of variables, neither linkage function can provide sufficient resolution of all the desired energy terms. The most difficult quantities to resolve always include the dimer-tetramer association constant for unliganded hemoglobin and the oxygen binding constants to alphabeta dimers. A feasible experimental strategy for overcoming these difficulties lies in independent determination of the dimer-tetramer association constants for unliganded and fully oxygenated hemoglobin. These constants, in combination with the median lignad concentration, provide an estimate of the energy for total oxygenation of tetramers which is essentially independent of the other constituent energies. It is shown that if these separately determinable parameters are fixed, the remaining terms may be estimated to good accuracy using data which represents either linkage function. In general it is desirable to combine information from both types of experimental quantities. A previous paper (Mills, F.C., Johnson, M.L., and Ackers, G.K. (1976), Biochemestry, 15, the preceding paper in this issue) describes the experimental implementation of this strategy.

Some functional properties of composite material based on scrap tires

NASA Astrophysics Data System (ADS)

Plesuma, Renate; Malers, Laimonis

2013-09-01

The utilization of scrap tires still obtains a remarkable importance from the aspect of unloading the environment from non-degradable waste [1]. One of the most prospective ways for scrap tires reuse is a production of composite materials [2] This research must be considered as a continuation of previous investigations [3, 4]. It is devoted to the clarification of some functional properties, which are considered important for the view of practical applications, of the composite material. Some functional properties of the material were investigated, for instance, the compressive stress at different extent of deformation of sample (till 67% of initial thickness) (LVS EN 826) [5] and the resistance to UV radiation (modified method based on LVS EN 14836) [6]. Experiments were realized on the purposefully selected samples. The results were evaluated in the correlation with potential changes of Shore C hardness (Shore scale, ISO 7619-1, ISO 868) [7, 8]. The results showed noticeable resistance of the composite material against the mechanical influence and ultraviolet (UV) radiation. The correlation with the composition of the material, activity of binder, definite technological parameters, and the conditions supported during the production, were determined. It was estimated that selected properties and characteristics of the material are strongly dependent from the composition and technological parameters used in production of the composite material, and from the size of rubber crumb. Obtained results show possibility to attain desirable changes in the composite material properties by changing both the composition and technological parameters of examined material.

Directed Evolution as a Powerful Synthetic Biology Tool

PubMed Central

Cobb, Ryan E.; Sun, Ning; Zhao, Huimin

2012-01-01

At the heart of synthetic biology lies the goal of rationally engineering a complete biological system to achieve a specific objective, such as bioremediation and synthesis of a valuable drug, chemical, or biofuel molecule. However, the inherent complexity of natural biological systems has heretofore precluded generalized application of this approach. Directed evolution, a process which mimics Darwinian selection on a laboratory scale, has allowed significant strides to be made in the field of synthetic biology by allowing rapid identification of desired properties from large libraries of variants. Improvement in biocatalyst activity and stability, engineering of biosynthetic pathways, tuning of functional regulatory systems and logic circuits, and development of desired complex phenotypes in industrial host organisms have all been achieved by way of directed evolution. Here, we review recent contributions of directed evolution to synthetic biology at the protein, pathway, network, and whole cell levels. PMID:22465795

[An experimental study of the coagulating properties of a laser beam applied to fix titanium prostheses of auditory ossicles with the use of platelet-rich plasma].

PubMed

Semenov, V F; Semenov, F V

2013-01-01

The displacement of prostheses of auditory ossicles at the concluding stage of surgery and in the early postoperative period is one of the factors influencing the functional outcome of stapedoplasty. The objective of the present experimental study was to estimate the effectiveness of the use of platelet-rich plasma as an alloy for the laser welding in order to improve fixation of titanium prostheses employed in ossiculoplastic surgery. The results of a series of experiments undertaken to assess the possibility of stabilization of titanium prostheses in the desired position with the help of laser welding indicate that this technique with the use of platelet-rich plasma as an alloy may be a reliable method for the fixation of the reconstructed chain of ossicles in the desired position.

Invited Article: Autonomous assembly of atomically perfect nanostructures using a scanning tunneling microscope.

PubMed

Celotta, Robert J; Balakirsky, Stephen B; Fein, Aaron P; Hess, Frank M; Rutter, Gregory M; Stroscio, Joseph A

2014-12-01

A major goal of nanotechnology is to develop the capability to arrange matter at will by placing individual atoms at desired locations in a predetermined configuration to build a nanostructure with specific properties or function. The scanning tunneling microscope has demonstrated the ability to arrange the basic building blocks of matter, single atoms, in two-dimensional configurations. An array of various nanostructures has been assembled, which display the quantum mechanics of quantum confined geometries. The level of human interaction needed to physically locate the atom and bring it to the desired location limits this atom assembly technology. Here we report the use of autonomous atom assembly via path planning technology; this allows atomically perfect nanostructures to be assembled without the need for human intervention, resulting in precise constructions in shorter times. We demonstrate autonomous assembly by assembling various quantum confinement geometries using atoms and molecules and describe the benefits of this approach.

The motivational properties of hope in goal striving.

PubMed

Nelissen, Rob M A

2017-02-01

We argue that hope is not an expectancy based on beliefs about pathways to desired goals and personal capacities to act on them, but an experience of the mere possibility of a desired outcome. We propose that in the latter sense, hope has unique motivational consequences for goal striving. Specifically, we predicted that hope buffers against the detrimental impact of negative feedback on goal-progress. The results of the two studies confirmed this prediction. In Study 1, we measured participants' hopes of attaining a weight-loss goal. In Study 2, we induced hope at solving an unsolvable mathematical puzzle. In both studies, receiving negative feedback on goal-progress resulted in lower levels of success (Study 1) and persistence (Study 2) in goal-striving, but not for participants who experienced hope. We discuss the role of hope as an affective mechanism that functions to regulate energy expenditure in goal-striving.

Laser-directed 3D assembly of carbon nanotubes using two-photon polymerization (Conference Presentation)

NASA Astrophysics Data System (ADS)

Liu, Ying; Xiong, Wei; Jiang, Li Jia; Zhou, Yunshen; Li, Dawei; Jiang, Lan; Silvain, Jean-Francois; Lu, Yongfeng

2017-02-01

Precise assembly of carbon nanotubes (CNTs) in arbitrary 3D space with proper alignment is critically important and desirable for CNT applications but still remains as a long-standing challenge. Using the two-photon polymerization (TPP) technique, it is possible to fabricate 3D micro/nanoscale CNT/polymer architectures with proper CNT alignments in desired directions, which is expected to enable a broad range of applications of CNTs in functional devices. To unleash the full potential of CNTs, it is strategically important to develop TPP-compatible resins with high CNT concentrations for precise assembly of CNTs into 3D micro/nanostructures for functional device applications. We investigated a thiol grafting method in functionalizing multiwalled carbon nanotubes (MWNTs) to develop TPP-compatible MWNT-thiol-acrylate (MTA) composite resins. The composite resins developed had high MWNT concentrations up to 0.2 wt%, over one order of magnitude higher than previously published work. Significantly enhanced electrical and mechanical properties of the 3D micro/nanostructures were achieved. Precisely controlled MWNT assembly and strong anisotropic effects were confirmed. Microelectronic devices made of the MTA composite polymer were demonstrated. The nanofabrication method can achieve controlled assembly of MWNTs in 3D micro/nanostructures, enabling a broad range of CNT applications, including 3D electronics, integrated photonics, and micro/nanoelectromechanical systems (MEMS/NEMS).

Functional gradients in the pericarp of the green coconut inspire asymmetric fibre-composites with improved impact strength, and preserved flexural and tensile properties.

PubMed

Graupner, Nina; Labonte, David; Humburg, Heide; Buzkan, Tayfun; Dörgens, Anna; Kelterer, Wiebke; Müssig, Jörg

2017-02-28

Here we investigate the mechanical properties and structural design of the pericarp of the green coconut (Cocos nucifera L.). The pericarp showed excellent impact characteristics, and mechanical tests of its individual components revealed gradients in stiffness, strength and elongation at break from the outer to the inner layer of the pericarp. In order to understand more about the potential effect of such gradients on 'bulk' material properties, we designed simple, graded, cellulose fibre-reinforced polylactide (PLA) composites by stacking layers reinforced with fibres of different mechanical properties. Tensile properties of the graded composites were largely determined by the 'weakest' fibre, irrespective of the fibre distribution. However, a graded design led to pronounced asymmetric bending and impact properties. Bio-inspired, asymmetrically graded composites showed a flexural strength and modulus comparable to that of the strongest reference samples, but the elongation at maximum load was dependent on the specimen orientation. The impact strength of the graded composites showed a similar orientation-dependence, and peak values exceeded the impact strength of a non-graded reference composite containing identical fibre fractions by up to a factor of three. In combination, our results show that an asymmetric, systematic variation of fibre properties can successfully combine desirable properties of different fibre types, suggesting new routes for the development of high-performance composites, and improving our understanding of the structure-function relationship of the coconut pericarp.

Sexual Anatomy and Function in Women With and Without Genital Mutilation: A Cross-Sectional Study.

PubMed

Abdulcadir, Jasmine; Botsikas, Diomidis; Bolmont, Mylène; Bilancioni, Aline; Djema, Dahila Amal; Bianchi Demicheli, Francesco; Yaron, Michal; Petignat, Patrick

2016-02-01

Female genital mutilation (FGM), the partial or total removal of the external genitalia for non-medical reasons, can affect female sexuality. However, only few studies are available, and these have significant methodologic limitations. To understand the impact of FGM on the anatomy of the clitoris and bulbs using magnetic resonance imaging and on sexuality using psychometric instruments and to study whether differences in anatomy after FGM correlate with differences in sexual function, desire, and body image. A cross-sectional study on sexual function and sexual anatomy was performed in women with and without FGM. Fifteen women with FGM involving cutting of the clitoris and 15 uncut women as a control group matched by age and parity were prospectively recruited. Participants underwent pelvic magnetic resonance imaging with vaginal opacification by ultrasound gel and completed validated questionnaires on desire (Sexual Desire Inventory), body image (Questionnaire d'Image Corporelle [Body Image Satisfaction Scale]), and sexual function (Female Sexual Function Index). Primary outcomes were clitoral and bulbar measurements on magnetic resonance images. Secondary outcomes were sexual function, desire, and body image scores. Women with FGM did not have significantly decreased clitoral glans width and body length but did have significantly smaller volume of the clitoris plus bulbs. They scored significantly lower on sexual function and desire than women without FGM. They did not score lower on Female Sexual Function Index sub-scores for orgasm, desire, and satisfaction and on the Questionnaire d'Image Corporelle but did report significantly more dyspareunia. A larger total volume of clitoris and bulbs did not correlate with higher Female Sexual Function Index and Sexual Desire Inventory scores in women with FGM compared with uncut women who had larger total volume that correlated with higher scores. Women with FGM have sexual erectile tissues for sexual arousal, orgasm, and pleasure. Women with sexual dysfunction should be appropriately counseled and treated. Copyright © 2016 International Society for Sexual Medicine. Published by Elsevier Inc. All rights reserved.

Psychometric properties of the revised conscientiousness dimension of Inventário Dimensional Clínico da Personalidade (IDCP).

PubMed

Carvalho, Lucas de Francisco; Souza, Bruna Daniela Balbino de; Primi, Ricardo

2014-01-01

This study investigated the psychometric properties of the revised scale of conscientiousness of a clinical personality inventory (Inventário Dimensional Clínico da Personalidade, IDCP). One hundred and twenty participants (68 women; 56.7%) aged 18 to 53 years (mean = 22.58, standard deviation = 6.19) were recruited by convenience and answered the IDCP and the NEO Personality Inventory - Revised. The analysis of internal structure, association with external variables and reliability of the dimension under review confirmed its validity. The psychometric characteristics of the revised dimension seem to be more adequate than those of the original version and more focused on pathological functioning, which was expected and desirable.

Emerging Applications of Liquid Metals Featuring Surface Oxides

PubMed Central

2014-01-01

Gallium and several of its alloys are liquid metals at or near room temperature. Gallium has low toxicity, essentially no vapor pressure, and a low viscosity. Despite these desirable properties, applications calling for liquid metal often use toxic mercury because gallium forms a thin oxide layer on its surface. The oxide interferes with electrochemical measurements, alters the physicochemical properties of the surface, and changes the fluid dynamic behavior of the metal in a way that has, until recently, been considered a nuisance. Here, we show that this solid oxide “skin” enables many new applications for liquid metals including soft electrodes and sensors, functional microcomponents for microfluidic devices, self-healing circuits, shape-reconfigurable conductors, and stretchable antennas, wires, and interconnects. PMID:25283244

Probabilistic Component Mode Synthesis of Nondeterministic Substructures

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; Ferri, Aldo A.

1996-01-01

Standard methods of structural dynamic analysis assume that the structural characteristics are deterministic. Recognizing that these characteristics are actually statistical in nature researchers have recently developed a variety of methods that use this information to determine probabilities of a desired response characteristic, such as natural frequency, without using expensive Monte Carlo simulations. One of the problems in these methods is correctly identifying the statistical properties of primitive variables such as geometry, stiffness, and mass. We present a method where the measured dynamic properties of substructures are used instead as the random variables. The residual flexibility method of component mode synthesis is combined with the probabilistic methods to determine the cumulative distribution function of the system eigenvalues. A simple cantilever beam test problem is presented that illustrates the theory.

Lake eutrophication and environmental change: A viability framework for resilience, vulnerability and adaptive capacity

NASA Astrophysics Data System (ADS)

Mathias, Jean-Denis; Rougé, Charles; Deffuant, Guillaume

2013-04-01

We present a simple stochastic model of lake eutrophication to demonstrate how the mathematical framework of viability theory fosters operational definitions of resilience, vulnerability and adaptive capacity, and then helps understand which response one should bring to environmental changes. The model represents the phosphorus dynamics, given that high concentrations trigger a regime change from oligotrophic to eutrophic, and causes ecological but also economic losses, for instance from tourism. Phosphorus comes from agricultural inputs upstream of the lake, and we will consider a stochastic input. We consider the system made of both the lake and its upstream region, and explore how to maintain the desirable ecological and economic properties of this system. In the viability framework, we translate these desirable properties into state constraints, then examine how, given the dynamics of the model and the available policy options, the properties can be kept. The set of states for which there exists a policy to keep the properties is called the viability kernel. We extend this framework to both major perturbations and long-term environmental changes. In our model, since the phosphorus inputs and outputs from the lake depend on rainfall, we will focus on extreme rainfall events and long-term changes in the rainfall regime. They can be described as changes in the state of the system, and may displace it outside the viability kernel. Its response can then be described using the concepts of resilience, vulnerability and adaptive capacity. Resilience is the capacity to recover by getting back to the viability kernel where the dynamics keep the system safe, and in this work we assume it to be the first objective of management. Computed for a given trajectory, vulnerability is a measure of the consequence of violating a property. We propose a family of functions from which cost functions and other vulnerability indicators can be derived for any trajectory. There can be several vulnerability functions, representing for instance social, economic or ecological vulnerability, and each representing the violation of the associated property, but these functions need to be ultimately aggregated as a single indicator. Due to the stochastic nature of the system, there is a range of possible trajectories. Statistics can be derived from the probability distribution of the vulnerability of the trajectories. Dynamic programming methods can then yield the policies which, among available policies, minimize a given trajectory. Thus, this viability framework gives indication on both the possible consequences of a hazard or an environmental change, and on the policies that can mitigate or avert it. It also enables to assess the benefits of extending the set of available policy options, and we define adaptive capacity as the reduction in a given vulnerability statistic due to the introduction of new policy options.

Silica encapsulation of fluorescent nanodiamonds for colloidal stability and facile surface functionalization.

PubMed

Bumb, Ambika; Sarkar, Susanta K; Billington, Neil; Brechbiel, Martin W; Neuman, Keir C

2013-05-29

Fluorescent nanodiamonds (FNDs) emit in the near-IR and do not photobleach or photoblink. These properties make FNDs better suited for numerous imaging applications compared with commonly used fluorescence agents such as organic dyes and quantum dots. However, nanodiamonds do not form stable suspensions in aqueous buffer, are prone to aggregation, and are difficult to functionalize. Here we present a method for encapsulating nanodiamonds with silica using an innovative liposome-based encapsulation process that renders the particle surface biocompatible, stable, and readily functionalized through routine linking chemistries. Furthermore, the method selects for a desired particle size and produces a monodisperse agent. We attached biotin to the silica-coated FNDs and tracked the three-dimensional motion of a biotinylated FND tethered by a single DNA molecule with high spatial and temporal resolution.

Low work function, stable compound clusters and generation process

DOEpatents

Dinh, Long N.; Balooch, Mehdi; Schildbach, Marcus A.; Hamza, Alex V.; McLean, II, William

2000-01-01

Low work function, stable compound clusters are generated by co-evaporation of a solid semiconductor (i.e., Si) and alkali metal (i.e., Cs) elements in an oxygen environment. The compound clusters are easily patterned during deposition on substrate surfaces using a conventional photo-resist technique. The cluster size distribution is narrow, with a peak range of angstroms to nanometers depending on the oxygen pressure and the Si source temperature. Tests have shown that compound clusters when deposited on a carbon substrate contain the desired low work function property and are stable up to 600.degree. C. Using the patterned cluster containing plate as a cathode baseplate and a faceplate covered with phosphor as an anode, one can apply a positive bias to the faceplate to easily extract electrons and obtain illumination.

Controllable Modular Growth of Hierarchical MOF-on-MOF Architectures.

PubMed

Gu, Yifan; Wu, Yi-Nan; Li, Liangchun; Chen, Wei; Li, Fengting; Kitagawa, Susumu

2017-12-04

Fabrication of hybrid MOF-on-MOF heteroarchitectures can create novel and multifunctional platforms to achieve desired properties. However, only MOFs with similar crystallographic parameters can be hybridized by the classical epitaxial growth method (EGM), which largely suppressed its applications. A general strategy, called internal extended growth method (IEGM), is demonstrated for the feasible assembly of MOFs with distinct crystallographic parameters in an MOF matrix. Various MOFs with diverse functions could be introduced in a modular MOF matrix to form 3D core-satellite pluralistic hybrid system. The number of different MOF crystals interspersed could be varied on demand. More importantly, the different MOF crystals distributed in individual domains could be used to further incorporate functional units or enhance target functions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Long-range corrected density functional through the density matrix expansion based semilocal exchange hole.

PubMed

Patra, Bikash; Jana, Subrata; Samal, Prasanjit

2018-03-28

The exchange hole, which is one of the principal constituents of the density functional formalism, can be used to design accurate range-separated hybrid functionals in association with appropriate correlation. In this regard, the exchange hole derived from the density matrix expansion has gained attention due to its fulfillment of some of the desired exact constraints. Thus, the new long-range corrected density functional proposed here combines the meta generalized gradient approximation level exchange functional designed from the density matrix expansion based exchange hole coupled with the ab initio Hartree-Fock exchange through the range separation of the Coulomb interaction operator using the standard error function technique. Then, in association with the Lee-Yang-Parr correlation functional, the assessment and benchmarking of the above newly constructed range-separated functional with various well-known test sets shows its reasonable performance for a broad range of molecular properties, such as thermochemistry, non-covalent interaction and barrier heights of the chemical reactions.

Sexual Functioning in Experienced Meditators.

PubMed

Dascalu, Iulia; Brotto, Lori A

2017-11-21

Given evidence of the benefits of mindfulness for women's sexual difficulties, we investigated the relationship between meditation experience and women's sexual function. Women (N = 450) answered online survey questions about meditation experience, sexual function and desire, interoceptive awareness, health and mood. Women who meditated scored higher than nonmeditators on measures of sexual function and desire, however there was no significant correlation between frequency/length of meditation experience and either of these domains. Global mental health was a significant predictor of both increased sexual function and desire in women who meditate. These findings suggest that, compared to women with no meditation experience, women who meditate to any extent have, on average, improved sexual function associated with better overall mental health.

Characterizing the macro and micro mechanical properties of scaffolds for rotator cuff repair.

PubMed

Smith, Richard D J; Zargar, Nasim; Brown, Cameron P; Nagra, Navraj S; Dakin, Stephanie G; Snelling, Sarah J B; Hakimi, Osnat; Carr, Andrew

2017-11-01

Retearing after rotator cuff surgery is a major clinical problem. Numerous scaffolds are being used to try to reduce retear rates. However, few have demonstrated clinical efficacy. We hypothesize that this lack of efficacy is due to insufficient mechanical properties. Therefore, we compared the macro and nano/micro mechanical properties of 7 commercially available scaffolds to those of the human supraspinatus tendons, whose function they seek to restore. The clinically approved scaffolds tested were X-Repair, LARS ligament, Poly-Tape, BioFiber, GraftJacket, Permacol, and Conexa. Fresh frozen cadaveric human supraspinatus tendon samples were used. Macro mechanical properties were determined through tensile testing and rheometry. Scanning probe microscopy and scanning electron microscopy were performed to assess properties of materials at the nano/microscale (morphology, Young modulus, loss tangent). None of the scaffolds tested adequately approximated both the macro and micro mechanical properties of human supraspinatus tendon. Macroscale mechanical properties were insufficient to restore load-bearing function. The best-performing scaffolds on the macroscale (X-Repair, LARS ligament) had poor nano/microscale properties. Scaffolds approximating tendon properties on the nano/microscale (BioFiber, biologic scaffolds) had poor macroscale properties. Existing scaffolds failed to adequately approximate the mechanical properties of human supraspinatus tendons. Combining the macroscopic mechanical properties of a synthetic scaffold with the micro mechanical properties of biologic scaffold could better achieve this goal. Future work should focus on advancing techniques to create new scaffolds with more desirable mechanical properties. This may help improve outcomes for rotator cuff surgery patients. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Multifunctional polymer nano-composite based superhydrophobic surface

NASA Astrophysics Data System (ADS)

Maitra, Tanmoy; Asthana, Ashish; Buchel, Robert; Tiwari, Manish K.; Poulikakos, Dimos

2014-11-01

Superhydrophobic surfaces become desirable in plethora of applications in engineering fields, automobile industry, construction industries to name a few. Typical fabrication of superhydrophobic surface consists of two steps: first is to create rough morphology on the substrate of interest, followed by coating of low energy molecules. However, typical exception of the above fabrication technique would be direct coating of functional polymer nanocomposites on substrate where superhydrophobicity is needed. Also in this case, the use of different nanoparticles in the polymer matrix can be exploited to impart multi-functional properties to the superhydrophobic coatings. Herein, different carbon nanoparticles like graphene nanoplatelets (GNP), carbon nanotubes (CNT) and carbon black (CB) are used in fluropolymer matrix to prepare superhydrophobic coatings. The multi-functional properties of coatings are enhanced by combining two different carbon fillers in the matrix. The aforementioned superhydrophobic coatings have shown high electrical conductivity and excellent droplet meniscus impalement resistance. Simultaneous superhydrophobic and oleophillic character of the above coating is used to separate mineral oil and water through filtration of their mixture. Swiss National Science Foundation (SNF) Grant 200021_135479.

Effects of build parameters on linear wear loss in plastic part produced by fused deposition modeling

NASA Astrophysics Data System (ADS)

Mohamed, Omar Ahmed; Masood, Syed Hasan; Bhowmik, Jahar Lal

2017-07-01

Fused Deposition Modeling (FDM) is one of the prominent additive manufacturing technologies for producing polymer products. FDM is a complex additive manufacturing process that can be influenced by many process conditions. The industrial demands required from the FDM process are increasing with higher level product functionality and properties. The functionality and performance of FDM manufactured parts are greatly influenced by the combination of many various FDM process parameters. Designers and researchers always pay attention to study the effects of FDM process parameters on different product functionalities and properties such as mechanical strength, surface quality, dimensional accuracy, build time and material consumption. However, very limited studies have been carried out to investigate and optimize the effect of FDM build parameters on wear performance. This study focuses on the effect of different build parameters on micro-structural and wear performance of FDM specimens using definitive screening design based quadratic model. This would reduce the cost and effort of additive manufacturing engineer to have a systematic approachto make decision among the manufacturing parameters to achieve the desired product quality.

Self‐Assembled Graphene‐Based Architectures and Their Applications

PubMed Central

Yuan, Zhongke; Xiao, Xiaofen; Li, Jing; Zhao, Zhe

2017-01-01

Abstract Due to unique planar structures and remarkable thermal, electronic, and mechanical properties, chemically modified graphenes (CMGs) such as graphene oxides, reduced graphene oxides, and the related derivatives are recognized as the attractive building blocks for “bottom‐up” nanotechnology, while self‐assembly of CMGs has emerged as one of the most promising approaches to construct advanced functional materials/systems based on graphene. By virtue of a variety of noncovalent forces like hydrogen bonding, van der Waals interaction, metal‐to‐ligand bonds, electrostatic attraction, hydrophobic–hydrophilic interactions, and π–π interactions, the CMGs bearing various functional groups are highly desirable for the assemblies with themselves and a variety of organic and/or inorganic species which can yield various hierarchical nanostructures and macroscopic composites endowed with unique structures, properties, and functions for widespread technological applications such as electronics, optoelectronics, electrocatalysis/photocatalysis, environment, and energy storage and conversion. In this review, significant recent advances concerning the self‐assembly of CMGs are summarized, and the broad applications of self‐assembled graphene‐based materials as well as some future opportunities and challenges in this vibrant area are elucidated. PMID:29619311

Synthetic plant virology for nanobiotechnology and nanomedicine.

PubMed

Steele, John F C; Peyret, Hadrien; Saunders, Keith; Castells-Graells, Roger; Marsian, Johanna; Meshcheriakova, Yulia; Lomonossoff, George P

2017-07-01

Nanotechnology is a rapidly expanding field seeking to utilize nano-scale structures for a wide range of applications. Biologically derived nanostructures, such as viruses and virus-like particles (VLPs), provide excellent platforms for functionalization due to their physical and chemical properties. Plant viruses, and VLPs derived from them, have been used extensively in biotechnology. They have been characterized in detail over several decades and have desirable properties including high yields, robustness, and ease of purification. Through modifications to viral surfaces, either interior or exterior, plant-virus-derived nanoparticles have been shown to support a range of functions of potential interest to medicine and nano-technology. In this review we highlight recent and influential achievements in the use of plant virus particles as vehicles for diverse functions: from delivery of anticancer compounds, to targeted bioimaging, vaccine production to nanowire formation. WIREs Nanomed Nanobiotechnol 2017, 9:e1447. doi: 10.1002/wnan.1447 For further resources related to this article, please visit the WIREs website. © 2017 John Innes Centre. Wiley Interdisciplinary Reviews: Nanomedicine and Nanobiotechnology Published by Wiley Periodicals, Inc.

Recent development and biomedical applications of self-healing hydrogels.

PubMed

Wang, Yinan; Adokoh, Christian K; Narain, Ravin

2018-01-01

Hydrogels are of special importance, owing to their high-water content and various applications in biomedical and bio-engineering research. Self-healing properties is a common phenomenon in living organisms. Their endowed property of being able to self-repair after physical/chemical/mechanical damage to fully or partially its original properties demonstrates their prospective therapeutic applications. Due to complicated preparation and selection of suitable materials, the application of many host-guest supramolecular polymeric hydrogels are so limited. Thus, the design and construction of self-repairing material are highly desirable for effectively increase in the lifetime of a functional material. However, recent advances in the field of materials science and bioengineering and nanotechnology have led to the design of biologically relevant self-healing hydrogels for therapeutic applications. This review focuses on the recent development of self-healing hydrogels for biomedical application. Areas covered: The strategies of making self-healing hydrogels and their healing mechanisms are discussed. The significance of self-healing hydrogel for biomedical application is also highlighted in areas such as 3D/4D printing, cell/drug delivery, as well as soft actuators. Expert opinion: Materials that have the ability to self-repair damage and regain the desired mechanical properties, have been found to be excellent candidate materials for a range of biomedical uses especially if their unique characteristics are similar to that of soft-tissues. Self-healing hydrogels have been synthesized and shown to exhibit similar characteristics as human tissues, however, significant improvement is required in the fabrication process from inexpensive and nontoxic/non-hazardous materials and techniques, and, in addition, further fine-tuning of the self-healing properties are needed for specific biomedical uses.

On strong homogeneity of a class of global optimization algorithms working with infinite and infinitesimal scales

NASA Astrophysics Data System (ADS)

Sergeyev, Yaroslav D.; Kvasov, Dmitri E.; Mukhametzhanov, Marat S.

2018-06-01

The necessity to find the global optimum of multiextremal functions arises in many applied problems where finding local solutions is insufficient. One of the desirable properties of global optimization methods is strong homogeneity meaning that a method produces the same sequences of points where the objective function is evaluated independently both of multiplication of the function by a scaling constant and of adding a shifting constant. In this paper, several aspects of global optimization using strongly homogeneous methods are considered. First, it is shown that even if a method possesses this property theoretically, numerically very small and large scaling constants can lead to ill-conditioning of the scaled problem. Second, a new class of global optimization problems where the objective function can have not only finite but also infinite or infinitesimal Lipschitz constants is introduced. Third, the strong homogeneity of several Lipschitz global optimization algorithms is studied in the framework of the Infinity Computing paradigm allowing one to work numerically with a variety of infinities and infinitesimals. Fourth, it is proved that a class of efficient univariate methods enjoys this property for finite, infinite and infinitesimal scaling and shifting constants. Finally, it is shown that in certain cases the usage of numerical infinities and infinitesimals can avoid ill-conditioning produced by scaling. Numerical experiments illustrating theoretical results are described.

Method of manipulating the chemical properties of water to improve the effectiveness of a desired chemical process

DOEpatents

Hawthorne, Steven B.; Miller, David J.; Yang, Yu; Lagadec, Arnaud Jean-Marie

1999-01-01

The method of the present invention is adapted to manipulate the chemical properties of water in order to improve the effectiveness of a desired chemical process. The method involves heating the water in the vessel to subcritical temperatures between 100.degree. to 374.degree. C. while maintaining sufficient pressure to the water to maintain the water in the liquid state. Various physiochemical properties of the water can be manipulated including polarity, solute solubility, surface tension, viscosity, and the disassociation constant. The method of the present invention has various uses including extracting organics from solids and semisolids such as soil, selectively extracting desired organics from nonaqueous liquids, selectively separating organics using sorbent phases, enhancing reactions by controlling the disassociation constant of water, cleaning waste water, and removing organics from water using activated carbon or other suitable sorbents.

Method of manipulating the chemical properties of water to improve the effectiveness of a desired process

DOEpatents

Hawthorne, Steven B.; Miller, David J.; Lagadec, Arnaud Jean-Marie; Hammond, Peter James; Clifford, Anthony Alan

2002-01-01

The method of the present invention is adapted to manipulate the chemical properties of water in order to improve the effectiveness of a desired process. The method involves heating the water in the vessel to subcritical temperatures between 100.degree. to 374.degree. C. while maintaining sufficient pressure to the water to maintain the water in the liquid state. Various physiochemical properties of the water can be manipulated including polarity, solute solubility, surface tension, viscosity, and the disassociation constant. The method of the present invention has various uses including extracting organics from solids and semisolids such as soil, selectively extracting desired organics from liquids, selectively separating organics using sorbent phases, enhancing reactions by controlling the disassociation constant of water, cleaning waste water, removing organics from water using activated carbon or other suitable sorbents, and degrading various compounds.

Foam generator and viscometer apparatus and process

DOEpatents

Reed, Troy D.; Pickell, Mark B.; Volk, Leonard J.

2004-10-26

An apparatus and process to generate a liquid-gas-surfactant foam and to measure its viscosity and enable optical and or electronic measurements of physical properties. The process includes the steps of pumping selected and measured liquids and measured gases into a mixing cell. The mixing cell is pressurized to a desired pressure and maintained at a desired pressure. Liquids and gas are mixed in the mixing cell to produce a foam of desired consistency. The temperature of the foam in the mixing cell is controlled. Foam is delivered from the mixing cell through a viscometer under controlled pressure and temperature conditions where the viscous and physical properties of the foam are measured and observed.

Recent Developments on Microencapsulation for Autonomous Corrosion Protection

NASA Technical Reports Server (NTRS)

Calle, Luz M.; Li, Wenyan; Buhrow, Jerry W.; Fitzpatrick, Lilliana; Jolley, Scott T.; Surma, Jan M.; Pearman, Benjamin P.; Zhang, Xuejun

2014-01-01

This work concerns recent progress in the development of a multifunctional smart coating based on microencapsulation for the autonomous control of corrosion. Microencapsulation allows the incorporation of desired corrosion control functionalities, such as early corrosion detection and inhibition through corrosion controlled release of corrosion indicators and inhibitors, as well as self-healing agent release when mechanical damage occurs.While proof-of-concept results have been reported previously, more recent efforts have been concentrated in technical developments to improve coating compatibility, synthesis procedure scalability, as well as fine tuning the release property of encapsulated active agents.

Using lithium ion batteries in the aeromedical environment: a calculated risk?

PubMed

Haggerty, Andrew; Keogh, Sean

2015-04-01

Lithium ion batteries are increasingly utilised within helicopter emergency medical services. Their favourable chemical profile confers many desirable properties: they are small, lightweight and provide a high specific capacity (energy to weight ratio) coupled with a slow self-discharge rate, ensuring a longer functional availability for vital equipment. They are frequently used in routine medical equipment including ventilators, monitors and intravenous pumps, and in aviation specific items, such as satellite and mobile phones, VHF radios and navigation systems. © 2015 Australasian College for Emergency Medicine and Australasian Society for Emergency Medicine.

Photoacoustic emission from fluorescent nanodiamonds enhanced with gold nanoparticles

PubMed Central

Zhang, Bailin; Fang, Chia-Yi; Chang, Cheng-Chun; Peterson, Ralph; Maswadi, Saher; Glickman, Randolph D.; Chang, Huan-Cheng; Ye, Jing Yong

2012-01-01

Fluorescent nanodiamonds (FNDs) have drawn much attention in recent years for biomedical imaging applications due to their desired physical properties including excellent photostability, high biocompatibility, extended far-red fluorescence emission, and ease of surface functionalization. Here we explore a new feature of FNDs, i.e. their photoacoustic emission capability, which may lead to potential applications of using FNDs as a dual imaging contrast agent for combined fluorescence and photoacoustic imaging modalities. We observed significant enhancement of photoacoustic emission from FNDs when they were conjugated with gold nanoparticles (GNPs). PMID:22808436

Photoacoustic emission from fluorescent nanodiamonds enhanced with gold nanoparticles.

PubMed

Zhang, Bailin; Fang, Chia-Yi; Chang, Cheng-Chun; Peterson, Ralph; Maswadi, Saher; Glickman, Randolph D; Chang, Huan-Cheng; Ye, Jing Yong

2012-07-01

Fluorescent nanodiamonds (FNDs) have drawn much attention in recent years for biomedical imaging applications due to their desired physical properties including excellent photostability, high biocompatibility, extended far-red fluorescence emission, and ease of surface functionalization. Here we explore a new feature of FNDs, i.e. their photoacoustic emission capability, which may lead to potential applications of using FNDs as a dual imaging contrast agent for combined fluorescence and photoacoustic imaging modalities. We observed significant enhancement of photoacoustic emission from FNDs when they were conjugated with gold nanoparticles (GNPs).

Functionalized Agarose Self-Healing Ionogels Suitable for Supercapacitors.

PubMed

Trivedi, Tushar J; Bhattacharjya, Dhrubajyoti; Yu, Jong-Sung; Kumar, Arvind

2015-10-12

Agarose has been functionalized (acetylated/carbanilated) in an ionic liquid (IL) medium of 1-butyl-3-methylimidazolium acetate at ambient conditions. The acetylated agarose showed a highly hydrophobic nature, whereas the carbanilated agarose could be dissolved in water as well as in the IL medium. Thermoreversible ionogels were obtained by cooling the IL sols of carbanilated agarose at room temperature. The ionogel prepared from a protic-aprotic mixed-IL system (1-butyl-3-methylimidazolium chloride and N-(2-hydroxyethyl)ammonium formate) demonstrated a superior self-healing property, as confirmed from rheological measurements. The superior self-healing property of such an ionogel has been attributed to the unique inter-intra hydrogen-bonding network of functional groups inserted in the agarose. The ionogel was tested as a flexible solid electrolyte for an activated-carbon-based supercapacitor cell. The measured specific capacitance was found to be comparable with that of a liquid electrolyte system at room temperature and was maintained for up to 1000 charge-discharge cycles. Such novel functionalized-biopolymer self-healing ionogels with flexibility and good conductivity are desirable for energy-storage devices and electronic skins with superior lifespans and robustness. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ground-state properties of rare-earth metals: an evaluation of density-functional theory.

PubMed

Söderlind, Per; Turchi, P E A; Landa, A; Lordi, V

2014-10-15

The rare-earth metals have important technological applications due to their magnetic properties, but are scarce and expensive. Development of high-performance magnetic materials with less rare-earth content is desired, but theoretical modeling is hampered by complexities of the rare earths electronic structure. The existence of correlated (atomic-like) 4f electrons in the vicinity of the valence band makes any first-principles theory challenging. Here, we apply and evaluate the efficacy of density-functional theory for the series of lanthanides (rare earths), investigating the influence of the electron exchange and correlation functional, spin-orbit interaction, and orbital polarization. As a reference, the results are compared with those of the so-called 'standard model' of the lanthanides in which electrons are constrained to occupy 4f core states with no hybridization with the valence electrons. Some comparisons are also made with models designed for strong electron correlations. Our results suggest that spin-orbit coupling and orbital polarization are important, particularly for the magnitude of the magnetic moments, and that calculated equilibrium volumes, bulk moduli, and magnetic moments show correct trends overall. However, the precision of the calculated properties is not at the level of that found for simpler metals in the Periodic Table of Elements, and the electronic structures do not accurately reproduce x-ray photoemission spectra.

Computational study on the effects of substituent and heteroatom on physical properties and solar cell performance in donor-acceptor conjugated polymers based on benzodithiophene.

PubMed

Zhang, Lvyong; Shen, Wei; He, Rongxing; Liu, Xiaorui; Fu, Zhiyong; Li, Ming

2014-11-01

Computationally driven material design has attracted increasing interest to accelerate the search for optimal conjugated donor materials in bulk heterojunction organic solar cells. A series of novel copolymers containing benzo[1,2-b:4,5-b']dithiophene (BDT) and thieno[3,4-c]pyrrole-4,6-dione (TPD) derivatives were simulated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT). We performed a systematic study on the influences on molecular geometry parameters, electronic properties, optical properties, photovoltaic performances, and intermolecular stacking as well as hole mobility when different chalcogenophenes in TPD derivatives were used and functional groups with different electron-withdrawing abilities such as alkyl, fluorine, sufonyl, and cyano were introduced to the nitrogen positions in electron-deficient units. The substitution position of electron-withdrawing groups may cause little steric hindrance to the neighboring donor units, especially fluorine and cyano group. It was found that the incorporation of these new electron-deficient substituents and sulfur-selenium exchange can be applicable to further modify and optimize existing molecular structures. Our findings will provide valuable guidance and chemical methodologies for a judicious material design of conjugated polymers for solar cell applications with desirable photovoltaic characteristics.

Narratives of desire in mid-age women with and without arousal difficulties.

PubMed

Brotto, Lori A; Heiman, Julia R; Tolman, Deborah L

2009-01-01

There is controversy about the nature of women's sexual desire. The aim was to explore narrative descriptions of sexual desire among mid-aged women in hopes of clarifying how women define and experience sexual desire, and how these might differ among women with and without female sexual arousal disorder (FSAD). Mid-aged women without (age: M = 45, n = 12) and with (age: M = 55, n = 10) FSAD took part in in-depth interviews that invited them to share personal stories of sexual desire. Women also completed the Brief Index of Sexual Functioning and the Female Sexual Function Index (FSFI). Women in both groups described sexual desire in genital, non-genital physical, and in cognitive-emotional terms. Although women with FSAD had low ratings of sexual desire on the FSFI, they could recall recent experiences of desire that did not differ from the control group. Women identified a number of triggers of desire including touch, memories, and partner's responses--the latter of which acted as both a trigger and an inhibitor. Women in the control group were more likely to express conflation about the distinction between desire and arousal. Among the different "objects" of women's desire, most women acknowledged emotional connection as most important.

Multiparameter magnetic inspection system with magnetic field control and plural magnetic transducers

DOEpatents

Jiles, D.C.

1991-04-16

A multiparameter magnetic inspection system is disclosed for providing an efficient and economical way to derive a plurality of independent measurements regarding magnetic properties of the magnetic material under investigation. The plurality of transducers for a plurality of different types of measurements operatively connected to the specimen. The transducers are in turn connected to analytical circuits for converting transducer signals to meaningful measurement signals of the magnetic properties of the specimen. The measurement signals are processed and can be simultaneously communicated to a control component. The measurement signals can also be selectively plotted against one another. The control component operates the functioning of the analytical circuits and operates and controls components to impose magnetic fields of desired characteristics upon the specimen. The system therefore allows contemporaneous or simultaneous derivation of the plurality of different independent magnetic properties of the material which can then be processed to derive characteristics of the material. 1 figure.

Ferroelectric properties of substituted barium titanate ceramics

NASA Astrophysics Data System (ADS)

Kumar, Parveen; Singh, Sangeeta; Juneja, J. K.; Prakash, Chandra; Raina, K. K.

2009-06-01

Barium titanate (BT) is among the most studied ferroelectric material which has been used in various forms, e.g. bulk, thin and thick film, powder, in a number of applications. In order to achieve a material with desired properties, it is modified with a variety of substituents. Most common substituents have been strontium, calcium and zirconium. Here we report studies on lead and zirconium substituted BT. The material series with compositional formula Ba 0.80Pb 0.20Ti 1-xZr xO 3 with, 0< x<0.1 was chosen for investigations. The material was synthesized by solid state reaction method. Reacted powder compacted in form of circular discs were sintered in the range of 1300 °C. All the samples were subjected to X-ray analysis and found to be single phase. Ferroelectric properties were studied as a function of composition and temperature. Pr/ Ps ratio was determined. It was found to decrease with increase in x.

Multiparameter magnetic inspection system with magnetic field control and plural magnetic transducers

DOEpatents

Jiles, David C.

1991-04-16

A multiparameter magnetic inspection system for providing an efficient and economical way to derive a plurality of independent measurements regarding magnetic properties of the magnetic material under investigation. The plurality of transducers for a plurality of different types of measurements operatively connected to the specimen. The transducers are in turn connected to analytical circuits for converting transducer signals to meaningful measurement signals of the magnetic properties of the specimen. The measurement signals are processed and can be simultaneously communicated to a control component. The measurement signals can also be selectively plotted against one another. The control component operates the functioning of the analytical circuits and operates and controls components to impose magnetic fields of desired characteristics upon the specimen. The system therefore allows contemporaneous or simultaneous derivation of the plurality of different independent magnetic properties of the material which can then be processed to derive characteristics of the material.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beck, Ashley; Hunt, Kristopher; Bernstein, Hans C.

Interest in microbial communities for bioprocessing has surged in recent years based on the potential to optimize multiple tasks simultaneously and to enhance process productivity and stability. The presence and magnitude of these desirable system properties often result from interactions between functionally distinct community members. The importance of interactions, while appreciated by some disciplines for decades, has gained interest recently due to the development of ‘omics techniques, polymicrobial culturing approaches, and computational methods which has made the systems-level analysis of interacting components more tractable. This review defines and categorizes natural and engineered system components, interactions, and emergent properties, as wellmore » as presents three ecological theories relevant to microbial communities. Case studies are interpreted to illustrate components, interactions, emergent properties and agreement with theoretical concepts. A general foundation is laid to facilitate interpretation of current systems and to aid in future design of microbial systems for the next generation of bioprocesses.« less

Optimal design of nanoplasmonic materials using genetic algorithms as a multiparameter optimization tool.

PubMed

Yelk, Joseph; Sukharev, Maxim; Seideman, Tamar

2008-08-14

An optimal control approach based on multiple parameter genetic algorithms is applied to the design of plasmonic nanoconstructs with predetermined optical properties and functionalities. We first develop nanoscale metallic lenses that focus an incident plane wave onto a prespecified, spatially confined spot. Our results illustrate the mechanism of energy flow through wires and cavities. Next we design a periodic array of silver particles to modify the polarization of an incident, linearly polarized plane wave in a desired fashion while localizing the light in space. The results provide insight into the structural features that determine the birefringence properties of metal nanoparticles and their arrays. Of the variety of potential applications that may be envisioned, we note the design of nanoscale light sources with controllable coherence and polarization properties that could serve for coherent control of molecular, electronic, or electromechanical dynamics in the nanoscale.

Synthesis, characterization, properties, and applications of nanosized ferroelectric, ferromagnetic, or multiferroic materials

DOE PAGES

Dhak, Debasis; Hong, Seungbum; Das, Soma; ...

2015-01-01

Recently, there has been an enormous increase in research activity in the field of ferroelectrics and ferromagnetics especially in multiferroic materials which possess both ferroelectric and ferromagnetic properties simultaneously. However, the ferroelectric, ferromagnetic, and multiferroic properties should be further improved from the utilitarian and commercial viewpoints. Nanostructural materials are central to the evolution of future electronics and information technologies. Ferroelectrics and ferromagnetics have already been established as a dominant branch in electronics sector because of their diverse applications. The ongoing dimensional downscaling of materials to allow packing of increased numbers of components into integrated circuits provides the momentum for evolutionmore » of nanostructural devices. Nanoscaling of the above materials can result in a modification of their functionality. Furthermore, nanoscaling can be used to form high density arrays of nanodomain nanostructures, which is desirable for miniaturization of devices.« less

A Computational Approach to Investigate Properties of Estimators

ERIC Educational Resources Information Center

Caudle, Kyle A.; Ruth, David M.

2013-01-01

Teaching undergraduates the basic properties of an estimator can be difficult. Most definitions are easy enough to comprehend, but difficulties often lie in gaining a "good feel" for these properties and why one property might be more desired as compared to another property. Simulations which involve visualization of these properties can…

Optimization of response surface and neural network models in conjugation with desirability function for estimation of nutritional needs of methionine, lysine, and threonine in broiler chickens.

PubMed

Mehri, Mehran

2014-07-01

The optimization algorithm of a model may have significant effects on the final optimal values of nutrient requirements in poultry enterprises. In poultry nutrition, the optimal values of dietary essential nutrients are very important for feed formulation to optimize profit through minimizing feed cost and maximizing bird performance. This study was conducted to introduce a novel multi-objective algorithm, desirability function, for optimization the bird response models based on response surface methodology (RSM) and artificial neural network (ANN). The growth databases on the central composite design (CCD) were used to construct the RSM and ANN models and optimal values for 3 essential amino acids including lysine, methionine, and threonine in broiler chicks have been reevaluated using the desirable function in both analytical approaches from 3 to 16 d of age. Multi-objective optimization results showed that the most desirable function was obtained for ANN-based model (D = 0.99) where the optimal levels of digestible lysine (dLys), digestible methionine (dMet), and digestible threonine (dThr) for maximum desirability were 13.2, 5.0, and 8.3 g/kg of diet, respectively. However, the optimal levels of dLys, dMet, and dThr in the RSM-based model were estimated at 11.2, 5.4, and 7.6 g/kg of diet, respectively. This research documented that the application of ANN in the broiler chicken model along with a multi-objective optimization algorithm such as desirability function could be a useful tool for optimization of dietary amino acids in fractional factorial experiments, in which the use of the global desirability function may be able to overcome the underestimations of dietary amino acids resulting from the RSM model. © 2014 Poultry Science Association Inc.

Structural Chemistry of Functional Nano-Materials for Environmental Remediation

NASA Astrophysics Data System (ADS)

John, Jesse

Nano minerals and materials have become a focal point of Geoscience research due to the unique physical, chemical, optical, magnetic, electronic, and reactive properties. Many of these desired properties in Nano technology have the potential to impact society by improving remediation, photovoltaics, medicine and the sustainability limits on Earth for an expanding population. Despite the progress made on the discovery, synthesis, and manufacturing of numerous nano-materials, the atomistic cause of their desired properties is poorly understood. To gain a better understanding of the atomic structure of nano materials and their bulk counterparts we combined several crystallographic techniques to solve the crystal structure and performed formative characterization to ascertain the atomistic source of the desired application. These strategies and tools can be used to expedite discovery, development and the goals of the National Nanotechnology Initiative (NNI). This thesis will cover the optimization of the reaction conditions and resolve the atomic structure to produce pure synthetic nano nolanite (SNN) Fe2V3O7OH. The complete structural model of nolanite was described from a bulk mineral to the nano-regime using a combination of single crystal X-ray diffraction (SC-XRD), pair distribution function analysis (PDF) and neutron powder diffraction from synthetic material. Nolanite is isostructural to ferrihydrite, a ubiquitous nano-mineral, both of these mineral structures have been the subject for debate for the last half of century. A comparative study of the isostructural minerals nolanite, akdalaite and ferrihydrite was utilized to address the discrepancies and consolidate the structural models. Lastly, we developed a structural model for nano-crystalline titanium-based material; mono sodium titanate (MST) using high energy total X-ray scattering and PDF coupled with scanning transmission electron microscope (STEM). In the USA we have accumulated over 76000 metric tons of nuclear waste and the nuclear industry continues to generate an additional 2000 tons every year. MST is the baseline material used for to effectively remove 90Sr and alpha-emitting actinides from strongly alkaline, high-level nuclear waste solutions at the Savannah River site. Despite the success of MST in the remediation of high-level radioactive waste (HLW) the process by which the metals are structurally incorporated is still poorly understood, and there is still no structural model. This study aims to better understand the ion exchange mechanism of MST by generating a structural model derived from synchrotron X-ray powder diffraction data.

Electrical and Optical Characteristics of Undoped and Se-Doped Bi2S3 Transistors

NASA Astrophysics Data System (ADS)

Kilcoyne, Colin; Alsaqqa, Ali; Rahman, Ajara A.; Whittaker-Brooks, Luisa; Sambandamurthy, G.

Semiconducting chalcogenides have been drawing increased attention due to their interesting physical properties, especially in low dimensional structures. Bi2S3 has demonstrated a high optical absorption coefficient, a large bulk mobility, small bandgap, high Seebeck coefficient, and low thermal conductivity. These properties make it a good candidate for optical, electric and thermoelectric applications. However, control over the electrical properties for enhanced thermoelectric performance and optical applications is desired. We present electrical transport and optical properties from individual nanowire and few-layer transistors of single crystalline undoped and Se-doped Bi2S3-xSex. All devices exhibit n-type semiconducting behavior and the ON/OFF ratio, mobility, and conductivity noise behavior are studied as functions of dopant concentration, temperature, and charge carrier density in different conduction regimes. The roles of dopant driven scattering mechanisms and mobility/carrier density fluctuations will be discussed. The potential for this series of materials as optical and electrical switches will be presented. NSF DMR.

Genome shuffling of Lactobacillus plantarum C88 improves adhesion.

PubMed

Zhao, Yujuan; Duan, Cuicui; Gao, Lei; Yu, Xue; Niu, Chunhua; Li, Shengyu

2017-01-01

Genome shuffling is an important method for rapid improvement in microbial strains for desired phenotypes. In this study, ultraviolet irradiation and nitrosoguanidine were used as mutagens to enhance the adhesion of the wild-type Lactobacillus plantarum C88. Four strains with better property were screened after mutagenesis to develop a library of parent strains for three rounds of genome shuffling. Fusants F3-1, F3-2, F3-3, and F3-4 were screened as the improved strains. The in vivo and in vitro tests results indicated that the population after three rounds of genome shuffling exhibited improved adhesive property. Random Amplified Polymorphic DNA results showed significant differences between the parent strain and recombinant strains at DNA level. These results suggest that the adhesive property of L. plantarum C88 can be significantly improved by genome shuffling. Improvement in the adhesive property of bacterial cells by genome shuffling enhances the colonization of probiotic strains which further benefits to exist probiotic function.

Characterizations and Electrical Modelling of Sensory Samples Formed from Synthesized Vanadium (V) Oxide and Copper Oxide Graphene Quantum Tunneling Composites (GQTC) Applied in Electrotribology

PubMed Central

Habdank-Wojewódzki, Tadeusz; Habdank, Josef; Cwik, Przemyslaw; Zimowski, Slawomir

2016-01-01

CuO and V2O5 graphene quantum tunneling composites (GQTC) presented in this article were produced and their sensory properties were analyzed. The composites were synthesised using two stage high-power milling process, which resulted in materials that have good temeprature and pressure sensory properties. Described production process defines internal structure of materials such that when used as sensor in the desired range, it exhibits a strong percolation effect. The experiment, with controlled changing physical conditions during electrotribological measurement, enabled analyzing of the composites’ conductivity as a function of the sensory properties: applied temperature, pressure, tangential force and wear. The sensory characteristic was successfully modelled by invertible generalized equations, and used to create sensor capable of estimating temperature or pressure in the real time. The developed materials have the potential to be applied in the areas where miniaturization is essential, due to the materials exhibiting good sensory properties in mini and micro scale. PMID:26742044

Characterizations and Electrical Modelling of Sensory Samples Formed from Synthesized Vanadium (V) Oxide and Copper Oxide Graphene Quantum Tunneling Composites (GQTC) Applied in Electrotribology.

PubMed

Habdank-Wojewódzki, Tadeusz; Habdank, Josef; Cwik, Przemyslaw; Zimowski, Slawomir

2016-01-05

CuO and V₂O₅ graphene quantum tunneling composites (GQTC) presented in this article were produced and their sensory properties were analyzed. The composites were synthesised using two stage high-power milling process, which resulted in materials that have good temeprature and pressure sensory properties. Described production process defines internal structure of materials such that when used as sensor in the desired range, it exhibits a strong percolation effect. The experiment, with controlled changing physical conditions during electrotribological measurement, enabled analyzing of the composites' conductivity as a function of the sensory properties: applied temperature, pressure, tangential force and wear. The sensory characteristic was successfully modelled by invertible generalized equations, and used to create sensor capable of estimating temperature or pressure in the real time. The developed materials have the potential to be applied in the areas where miniaturization is essential, due to the materials exhibiting good sensory properties in mini and micro scale.

Synthesis, crystal structure, photophysical properties and theoretical studies of a novel bis(phenylisoxazolyl) benzene derivative

NASA Astrophysics Data System (ADS)

de Brito, A. C. F.; Correa, R. S.; Pinto, A. A.; Matos, M. J. S.; Tenorio, J. C.; Taylor, J. G.; Cazati, T.

2018-07-01

Isoxazoles have well established biological activities but, have been underexplored as synthetic intermediates for applications in materials science. The aims of this work are to synthesis a novel isoxazole and analyze its structural and photophysical properties for application in electronic organic materials. The novel bis (phenylisoxazolyl) benzene compound was synthesized in four steps and characterized by NMR, high resolution mass spectrometry, differential thermal analysis, infrared spectroscopy, cyclic voltammetry, ultraviolet-visible spectroscopy, fluorescence spectroscopy, DFT and TDDFT calculations. The molecule presented optical absorption in the ultraviolet region (from 290 nm to 330 nm), with maximum absorption length centered at 306 nm. The molar extinction coefficients (ε), fluorescence emission spectra and quantum efficiencies in chloroform and dimethylformamide solution were determined. Cyclic voltammetry analysis was carried out for estimating the HOMO energy level and these properties make it desirable material for photovoltaic device applications. Finally, the excited-state properties of present compound were calculated by time-dependent density functional theory (TDDFT).

A 3D Self-Shaping Strategy for Nanoresolution Multicomponent Architectures.

PubMed

Su, Meng; Huang, Zhandong; Li, Yifan; Qian, Xin; Li, Zheng; Hu, Xiaotian; Pan, Qi; Li, Fengyu; Li, Lihong; Song, Yanlin

2018-01-01

3D printing or fabrication pursues the essential surface behavior manipulation of droplets or a liquid for rapidly and precisely constructing 3D multimaterial architectures. Further development of 3D fabrication desires a self-shaping strategy that can heterogeneously integrate functional materials with disparate electrical or optical properties. Here, a 3D liquid self-shaping strategy is reported for rapidly patterning materials over a series of compositions and accurately achieving micro- and nanoscale structures. The predesigned template selectively pins the droplet, and the surface energy minimization drives the self-shaping processing. The as-prepared 3D circuits assembled by silver nanoparticles carry a current of 208-448 µA at 0.01 V impressed voltage, while the 3D architectures achieved by two different quantum dots show noninterfering optical properties with feature resolution below 3 µm. This strategy can facilely fabricate micro-nanogeometric patterns without a modeling program, which will be of great significance for the development of 3D functional devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multivalency at Interfaces: Supramolecular Carbohydrate-Functionalized Graphene Derivatives for Bacterial Capture, Release, and Disinfection.

PubMed

Qi, Zhenhui; Bharate, Priya; Lai, Chian-Hui; Ziem, Benjamin; Böttcher, Christoph; Schulz, Andrea; Beckert, Fabian; Hatting, Benjamin; Mülhaupt, Rolf; Seeberger, Peter H; Haag, Rainer

2015-09-09

A supramolecular carbohydrate-functionalized two-dimensional (2D) surface was designed and synthesized by decorating thermally reduced graphene sheets with multivalent sugar ligands. The formation of host-guest inclusions on the carbon surface provides a versatile strategy, not only to increase the intrinsic water solubility of graphene-based materials, but more importantly to let the desired biofunctional binding groups bind to the surface. Combining the vital recognition role of carbohydrates and the unique 2D large flexible surface area of the graphene sheets, the addition of multivalent sugar ligands makes the resulting carbon material an excellent platform for selectively wrapping and agglutinating Escherichia coli (E. coli). By taking advantage of the responsive property of supramolecular interactions, the captured bacteria can then be partially released by adding a competitive guest. Compared to previously reported scaffolds, the unique thermal IR-absorption properties of graphene derivatives provide a facile method to kill the captured bacteria by IR-laser irradiation of the captured graphene-sugar-E. coli complex.

Nanoscale determination of the mass enhancement factor in the lightly doped bulk insulator lead selenide

DOE PAGES

Zeljkovic, Ilija; Scipioni, Kane L.; Walkup, Daniel; ...

2015-03-27

Bismuth chalcogenides and lead telluride/selenide alloys exhibit exceptional thermoelectric properties that could be harnessed for power generation and device applications. Since phonons play a significant role in achieving these desired properties, quantifying the interaction between phonons and electrons, which is encoded in the Eliashberg function of a material, is of immense importance. However, its precise extraction has in part been limited due to the lack of local experimental probes. Here we construct a method to directly extract the Eliashberg function using Landau level spectroscopy, and demonstrate its applicability to lightly doped thermoelectric bulk insulator PbSe. In addition to its highmore » energy resolution only limited by thermal broadening, this novel experimental method could be used to detect variations in mass enhancement factor at the nanoscale level. Finally, this opens up a new pathway for investigating the local effects of doping and strain on the mass enhancement factor.« less

Directed assembly of bio-inspired hierarchical materials with controlled nanofibrillar architectures

NASA Astrophysics Data System (ADS)

Tseng, Peter; Napier, Bradley; Zhao, Siwei; Mitropoulos, Alexander N.; Applegate, Matthew B.; Marelli, Benedetto; Kaplan, David L.; Omenetto, Fiorenzo G.

2017-05-01

In natural systems, directed self-assembly of structural proteins produces complex, hierarchical materials that exhibit a unique combination of mechanical, chemical and transport properties. This controlled process covers dimensions ranging from the nano- to the macroscale. Such materials are desirable to synthesize integrated and adaptive materials and systems. We describe a bio-inspired process to generate hierarchically defined structures with multiscale morphology by using regenerated silk fibroin. The combination of protein self-assembly and microscale mechanical constraints is used to form oriented, porous nanofibrillar networks within predesigned macroscopic structures. This approach allows us to predefine the mechanical and physical properties of these materials, achieved by the definition of gradients in nano- to macroscale order. We fabricate centimetre-scale material geometries including anchors, cables, lattices and webs, as well as functional materials with structure-dependent strength and anisotropic thermal transport. Finally, multiple three-dimensional geometries and doped nanofibrillar constructs are presented to illustrate the facile integration of synthetic and natural additives to form functional, interactive, hierarchical networks.

Process for making polymers comprising derivatized carbon nanotubes and compositions thereof

NASA Technical Reports Server (NTRS)

Tour, James M. (Inventor); Bahr, Jeffrey L. (Inventor); Yang, Jiping (Inventor)

2007-01-01

The present invention incorporates new processes for blending derivatized carbon nanotubes into polymer matrices to create new polymer/composite materials. When modified with suitable chemical groups using diazonium chemistry, the nanotubes can be made chemically compatible with a polymer matrix, allowing transfer of the properties of the nanotubes (such as mechanical strength) to the properties of the composite material as a whole. To achieve this, the derivatized (modified) carbon nanotubes are physically blended with the polymeric material, and/or, if desired, allowed to react at ambient or elevated temperature. These methods can be utilized to append functionalities to the nanotubes that will further covalently bond to the host polymer matrix, or directly between two tubes themselves. Furthermore, the nanotubes can be used as a generator of polymer growth, wherein the nanotubes are derivatized with a functional group that is an active part of a polymerization process, which would also result in a composite material in which the carbon nanotubes are chemically involved.

Sequencing of the Cheese Microbiome and Its Relevance to Industry.

PubMed

Yeluri Jonnala, Bhagya R; McSweeney, Paul L H; Sheehan, Jeremiah J; Cotter, Paul D

2018-01-01

The microbiota of cheese plays a key role in determining its organoleptic and other physico-chemical properties. It is essential to understand the various contributions, positive or negative, of these microbial components in order to promote the growth of desirable taxa and, thus, characteristics. The recent application of high throughput DNA sequencing (HTS) facilitates an even more accurate identification of these microbes, and their functional properties, and has the potential to reveal those microbes, and associated pathways, responsible for favorable or unfavorable characteristics. This technology also facilitates a detailed analysis of the composition and functional potential of the microbiota of milk, curd, whey, mixed starters, processing environments, and how these contribute to the final cheese microbiota, and associated characteristics. Ultimately, this information can be harnessed by producers to optimize the quality, safety, and commercial value of their products. In this review we highlight a number of key studies in which HTS was employed to study the cheese microbiota, and pay particular attention to those of greatest relevance to industry.

Identifying Atomic Scale Structure in Undoped/Doped Semicrystalline P3HT Using Inelastic Neutron Scattering

DOE PAGES

Harrelson, Thomas F.; Cheng, Yongqiang Q.; Li, Jun; ...

2017-03-07

The greatest advantage of organic materials is the ability to synthetically tune desired properties. However, structural heterogeneity often obfuscates the relationship between chemical structure and functional properties. Inelastic neutron scattering (INS) is sensitive to both local structure and chemical environment and provides atomic level details that cannot be obtained through other spectroscopic or diffraction methods. INS data are composed of a density of vibrational states with no selection rules, which means that every structural configuration is equally weighted in the spectrum. This allows the INS spectrum to be quantitatively decomposed into different structural motifs. Here in this paper we presentmore » INS measurements of the semiconducting polymer P3HT doped with F4TCNQ supported by density functional theory calculations to identify two dominant families of undoped crystalline structures and one dominant doped structural motif, in spite of considerable heterogeneity. The differences between the undoped and doped structures indicate that P3HT side chains flatten upon doping.« less

A novel scaling law relating the geometrical dimensions of a photocathode radio frequency gun to its radio frequency properties

NASA Astrophysics Data System (ADS)

Lal, Shankar; Pant, K. K.; Krishnagopal, S.

2011-12-01

Developing a photocathode RF gun with the desired RF properties of the π-mode, such as field balance (eb) ˜1, resonant frequency fπ = 2856 MHz, and waveguide-to-cavity coupling coefficient βπ ˜1, requires precise tuning of the resonant frequencies of the independent full- and half-cells (ff and fh), and of the waveguide-to-full-cell coupling coefficient (βf). While contemporary electromagnetic codes and precision machining capability have made it possible to design and tune independent cells of a photocathode RF gun for desired RF properties, thereby eliminating the need for tuning, access to such computational resources and quality of machining is not very widespread. Therefore, many such structures require tuning after machining by employing conventional tuning techniques that are iterative in nature. Any procedure that improves understanding of the tuning process and consequently reduces the number of iterations and the associated risks in tuning a photocathode gun would, therefore, be useful. In this paper, we discuss a method devised by us to tune a photocathode RF gun for desired RF properties under operating conditions. We develop and employ a simple scaling law that accounts for inter-dependence between frequency of independent cells and waveguide-to-cavity coupling coefficient, and the effect of brazing clearance for joining of the two cells. The method has been employed to successfully develop multiple 1.6 cell BNL/SLAC/UCLA type S-band photocathode RF guns with the desired RF properties, without the need to tune them by a tiresome cut-and-measure process. Our analysis also provides a physical insight into how the geometrical dimensions affect the RF properties of the photo-cathode RF gun.

Self-assembled materials and supramolecular chemistry within microfluidic environments: from common thermodynamic states to non-equilibrium structures.

PubMed

Sevim, S; Sorrenti, A; Franco, C; Furukawa, S; Pané, S; deMello, A J; Puigmartí-Luis, J

2018-05-01

Self-assembly is a crucial component in the bottom-up fabrication of hierarchical supramolecular structures and advanced functional materials. Control has traditionally relied on the use of encoded building blocks bearing suitable moieties for recognition and interaction, with targeting of the thermodynamic equilibrium state. On the other hand, nature leverages the control of reaction-diffusion processes to create hierarchically organized materials with surprisingly complex biological functions. Indeed, under non-equilibrium conditions (kinetic control), the spatio-temporal command of chemical gradients and reactant mixing during self-assembly (the creation of non-uniform chemical environments for example) can strongly affect the outcome of the self-assembly process. This directly enables a precise control over material properties and functions. In this tutorial review, we show how the unique physical conditions offered by microfluidic technologies can be advantageously used to control the self-assembly of materials and of supramolecular aggregates in solution, making possible the isolation of intermediate states and unprecedented non-equilibrium structures, as well as the emergence of novel functions. Selected examples from the literature will be used to confirm that microfluidic devices are an invaluable toolbox technology for unveiling, understanding and steering self-assembly pathways to desired structures, properties and functions, as well as advanced processing tools for device fabrication and integration.

Sexual function in cervical cancer patients: Psychometric properties and performance of a Chinese version of the Female Sexual Function Index.

PubMed

Liu, Huayun; Yu, Juping; Chen, Yongyi; He, Pingping; Zhou, Lianqing; Tang, Xinhui; Liu, Xiangyu; Li, Xuying; Wu, Yanping; Wang, Yuhua

2016-02-01

This study aimed to examine the psychometric properties and performance of a Chinese version of the Female Sexual Function Index (FSFI) among a sample of Chinese women with cervical cancer. A cross-sectional survey design was used. The respondents included 215 women with cervical cancer in an oncology hospital in China. A translated Chinese version of the FSFI was used to investigate their sexual functioning. Psychometric testing included internal consistency reliability (Cronbach's alpha coefficient and item-total correlations), test-retest reliability, construct validity (principal component analysis via oblique rotation and confirmatory factor analysis), and variability (floor and ceiling effects). The mean score of the total scale was 20.65 ± 4.77. The Cronbach values were .94 for the total scale, .72-.90 for the domains. Test-retest correlation coefficients over 2-4 weeks were .84 (p < .05) for the total scale, .68-.83 for the subscales. Item-total correlation coefficients ranged between .47 and .83 (p < .05). A five-factor model was identified via principal component analysis and established by confirmatory factor analysis, including desire/arousal, lubrication, orgasm, satisfaction, and pain. There was no evidence of floor or ceiling effects. With good psychometric properties similar to its original English version, this Chinese version of the FSFI is demonstrated to be a reliable and valid instrument that can be used to assess sexual functioning of women with cervical cancer in China. Future research is still needed to confirm its psychometric properties and performance among a large sample. Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthetic Design of Polysulfone Membranes: Morphological Effect on Property and Performance in Flow Batteries

NASA Astrophysics Data System (ADS)

Gindt, Brandon

This dissertation outlines a novel path towards improved understanding and function of proton exchange membranes (PEMs) for redox flow batteries, a large-scale battery storage device. This research uses synthetic methods and nanotechnology through two different approaches to prepare tailored polymer membranes: 1) Ion exchange membranes with enhanced chemical structures to promote membrane morphology on the nano-scale were prepared. Specifically, functional polysulfones (PSUs) were synthesized from different pre-sulfonated monomers. These PSUs have controlled placement and content of unique sulfonic acid moieties. PEMs were fabricated and characterized. The new PEMs showed desirable physical properties and performance in a vanadium redox flow battery (VRFB) cell. 2) Nanoporous PSU membranes were fabricated via post-hydrolysis of polylactide (PLA) from PLA-PSU-PLA triblock copolymer membranes. The controlled morphology and pore size of the resulting nanoporous membranes were evaluated by different microscopy and scattering techniques to understand structure-property relationships. Further, the resulting nanopore surface was chemically modified with sulfonic acid moieties. Membranes were analyzed and evaluated as separators for a VRFB. The chemically modified nanoporous PEMs exhibited unique behavior with respect to their ion conductivity when exposed to solutions of increasing acid concentration. In addition, the hierarchical micro-nanoporous membranes developed further showed promising structure and properties.

Rapid thermal responsive conductive hybrid cryogels with shape memory properties, photothermal properties and pressure dependent conductivity.

PubMed

Deng, Zexing; Guo, Yi; Ma, Peter X; Guo, Baolin

2018-09-15

Stimuli responsive cryogels with multi-functionality have potential application for electrical devices, actuators, sensors and biomedical devices. However, conventional thermal sensitive poly(N-isopropylacrylamide) cryogels show slow temperature response speed and lack of multi-functionality, which greatly limit their practical application. Herein we present conductive fast (2 min for both deswelling and reswelling behavior) thermally responsive poly(N-isopropylacrylamide) cryogels with rapid shape memory properties (3 s for shape recovery), near-infrared (NIR) light sensitivity and pressure dependent conductivity, and further demonstrated their applications as temperature sensitive on-off switch, NIR light sensitive on-off switch, water triggered shape memory on-off switch and pressure dependent device. These cryogels were first prepared in dimethyl sulfoxide below its melting temperature in ice bath and subsequently put into aniline or pyrrole solution to in situ deposition of conducting polyaniline or polypyrrole nanoparticles. The continuous macroporous sponge-like structure provides cryogels with rapid responsivity both in deswelling, reswelling kinetics and good elasticity. After incorporating electrically conductive polyaniline or polypyrrole nanoaggregates, the hybrid cryogels exhibit desirable conductivity, photothermal property, pressure dependent conductivity and good cytocompatibility. These multifunctional hybrid cryogels make them great potential as stimuli responsive electrical device, tissue engineering scaffolds, drug delivery vehicle and electronic skin. Copyright © 2018 Elsevier Inc. All rights reserved.

Digital control algorithms for microgravity isolation systems

NASA Technical Reports Server (NTRS)

Sinha, Alok; Wang, Yung-Peng

1992-01-01

New digital control algorithms were developed to achieve the desired acceleration transmissibility function. The attractive electromagnets have been taken as actuators. The relative displacement and the acceleration of the mass were used as feedback signals. Two approaches were developed to find that controller transfer function in Z-domain, which yields the desired transmissibility at each frequency. In the first approach, the controller transfer function is obtained by assuming that the desired transmissibility is known in Z-domain. Since the desired transmissibility H sub d(S) = 1/(tauS+1)(exp 2) is given in S-domain, the first task is to obtain the desired transmissibility in Z-domain. There are three methods to perform this task: bilinear transformation, and backward and forward rectangular rules. The bilinear transformation and backward rectangular rule lead to improper controller transfer functions, which are physically not realizable. The forward rectangular rule does lead to a physically realizable controller. However, this controller is found to be marginally stable because of a pole at Z=1. In order to eliminate this pole, a hybrid control structure is proposed. Here the control input is composed of two parts: analog and digital. The analog input simply represents the velocity (or the integral of acceleration) feedback; and the digital controller which uses only relative displacement signal, is then obtained to achieve the desired closed-loop transfer function. The stability analysis indicates that the controller transfer function is stable for typical values of sampling period. In the second approach, the aforementioned hybrid control structure is again used. First, an analog controller transfer function corresponding to relative displacement feedback is obtained to achieve the transmissibility as 1/(tauS+1)(exp 2). Then the transfer function for the digital control input is obtained by discretizing this analog controller transfer function via bilinear transformation. The stability of the resulting Z-domain closed loop system is analyzed. Also, the frequency response of the Z-domain closed-loop transfer function is determined to evaluate the performance of the control system.

Object of desire self-consciousness theory.

PubMed

Bogaert, Anthony F; Brotto, Lori A

2014-01-01

In this article, the authors discuss the construct of object of desire self-consciousness, the perception that one is romantically and sexually desirable in another's eyes. The authors discuss the nature of the construct, variations in its expression, and how it may function as part of a self-schemata or script related to romance and sexuality. The authors suggest that object of desire self-consciousness may be an adaptive, evolved psychological mechanism allowing sexual and romantic tactics suitable to one's mate value. The authors also suggest that it can act as a signal that one has high mate value in the sexual marketplace. The authors then review literature (e.g., on fantasies, on sexual activity preferences, on sexual dysfunctions, on language) suggesting that object of desire self-consciousness plays a particularly important role in heterosexual women's sexual/romantic functioning and desires.

Strong enhancement effect of silver nanowires on fluorescent property of Eu3+-ligand complexes and desired fluorescent iPP composite materials

NASA Astrophysics Data System (ADS)

Zhang, Yu; Wang, Xinzhi; Tang, Jianguo; Wang, Wei; Wang, Jinping; Belfiore, Laurence A.

2017-04-01

In this contribution, we obtained the strong enhancement effect of silver nanowires(AgNWs) on fluorescent property of Eu3+-antenna complexes through the function of the surface plasmon resonance(SPR) effect. The key structural characteristics are: (1) AgNWs are covered by the Eu3+-ligand complex and spaced by SiO2 nano-layer between AgNWs and Eu3+-ligand complex (this structure is marked as AgNWs@SiO2@EuTP), and (2) AgNWs as nano-material with large ratio of length to diameter show their good dispersion and processability in isotactic polypropylene (iPP). We obtained the important data about the optimal spacer thickness of SiO2 is 15 nm that was not found in previous publications. The enhanced intensity of fluorescence of EuTP by AgNWs in AgNWs@SiO2@EuTP is 9 times compared with that of EuTP. All of these outstanding properties and fine structures were characterized by TEM, FT-IR, XRD, and fluorescence spectrophotometer. On the other hand, the desired fluorescent iPP composite material was obtained through blending AgNWs@SiO2@EuTP into iPP host. Very importantly, the enhancement effect of AgNWs on EuTP fluorescence in AgNWs@SiO2@EuTP is refrained from the quenching caused by host polymer of iPP.

Polyfunctional dispersants for controlling viscosity of phyllosilicates

DOEpatents

Chaiko, David J.

2006-07-25

This invention provides phyllosilicates and polyfunctional dispersants which can be manipulated to selectively control the viscosity of phyllosilicate slurries. The polyfunctional dispersants used in the present invention, which include at least three functional groups, increase the dispersion and exfoliation of phyllosilicates in polymers and, when used in conjunction with phyllosilicate slurries, significantly reduce the viscosity of slurries having high concentrations of phyllosilicates. The functional groups of the polyfunctional dispersants are capable of associating with multivalent metal cations and low molecular weight organic polymers, which can be manipulated to substantially increase or decrease the viscosity of the slurry in a concentration dependent manner. The polyfunctional dispersants of the present invention can also impart desirable properties on the phyllosilicate dispersions including corrosion inhibition and enhanced exfoliation of the phyllosilicate platelets.

Single nickel-related defects in molecular-sized nanodiamonds for multicolor bioimaging: an ab initio study.

PubMed

Thiering, Gergő; Londero, Elisa; Gali, Adam

2014-10-21

Fluorescent nanodiamonds constitute an outstanding alternative to semiconductor quantum dots and dye molecules for in vivo biomarker applications, where the fluorescence comes from optically active point defects acting as color centers in the nanodiamonds. For practical purposes, these color centers should be photostable as a function of the laser power or the surface termination of nanodiamonds. Furthermore, they should exhibit a sharp and nearly temperature-independent zero-phonon line. In this study, we show by hybrid density functional theory calculations that nickel doped nanodiamonds exhibit the desired properties, thus opening the avenue to practical applications. In particular, harnessing the strong quantum confinement effect in molecule-sized nanodiamonds is very promising for achieving multicolor imaging by single nickel-related defects.

Single nickel-related defects in molecular-sized nanodiamonds for multicolor bioimaging: an ab initio study

NASA Astrophysics Data System (ADS)

Thiering, Gergő; Londero, Elisa; Gali, Adam

2014-09-01

Fluorescent nanodiamonds constitute an outstanding alternative to semiconductor quantum dots and dye molecules for in vivo biomarker applications, where the fluorescence comes from optically active point defects acting as color centers in the nanodiamonds. For practical purposes, these color centers should be photostable as a function of the laser power or the surface termination of nanodiamonds. Furthermore, they should exhibit a sharp and nearly temperature-independent zero-phonon line. In this study, we show by hybrid density functional theory calculations that nickel doped nanodiamonds exhibit the desired properties, thus opening the avenue to practical applications. In particular, harnessing the strong quantum confinement effect in molecule-sized nanodiamonds is very promising for achieving multicolor imaging by single nickel-related defects.

Silica encapsulation of fluorescent nanodiamonds for colloidal stability and facile surface functionalization

PubMed Central

Bumb, Ambika; Sarkar, Susanta K.; Billington, Neil; Brechbiel, Martin W.; Neuman, Keir C.

2013-01-01

Fluorescent nanodiamonds (FNDs) emit in the near infrared and do not photo-bleach or photoblink. These properties make FNDs better suited for numerous imaging applications in comparison to commonly used fluorescence agents such as organic dyes and quantum dots. However, nanodiamonds do not form stable suspensions in aqueous buffer, are prone to aggregation, and are difficult to functionalize. Here, we present a method to encapsulate nanodiamonds with silica using an innovative liposome-based encapsulation process that renders the particle surface biocompatible, stable, and readily functionalized through routine linking chemistries. Furthermore, the method selects for a desired particle size and produces a monodisperse agent. We attached biotin to the silica-coated FNDs and tracked the three-dimensional motion of a biotinylated FND tethered by a single DNA molecule with high spatial and temporal resolution. PMID:23581827

Two-dimensional mesh embedding for Galerkin B-spline methods

NASA Technical Reports Server (NTRS)

Shariff, Karim; Moser, Robert D.

1995-01-01

A number of advantages result from using B-splines as basis functions in a Galerkin method for solving partial differential equations. Among them are arbitrary order of accuracy and high resolution similar to that of compact schemes but without the aliasing error. This work develops another property, namely, the ability to treat semi-structured embedded or zonal meshes for two-dimensional geometries. This can drastically reduce the number of grid points in many applications. Both integer and non-integer refinement ratios are allowed. The report begins by developing an algorithm for choosing basis functions that yield the desired mesh resolution. These functions are suitable products of one-dimensional B-splines. Finally, test cases for linear scalar equations such as the Poisson and advection equation are presented. The scheme is conservative and has uniformly high order of accuracy throughout the domain.

Influence of mannitol concentration on the physicochemical, mechanical and pharmaceutical properties of lyophilised mannitol.

PubMed

Kaialy, Waseem; Khan, Usman; Mawlud, Shadan

2016-08-20

Mannitol is a pharmaceutical excipient that is receiving increased popularity in solid dosage forms. The aim of this study was to provide comparative evaluation on the effect of mannitol concentration on the physicochemical, mechanical, and pharmaceutical properties of lyophilised mannitol. The results showed that the physicochemical, mechanical and pharmaceutical properties of lyophilised mannitol powders are strong functions of mannitol concentration. By decreasing mannitol concentration, the true density, bulk density, cohesivity, flowability, netcharge-to-mass ratio, and relative degree of crystallinity of LM were decreased, whereas the breakability, size distribution, and size homogeneity of lyophilised mannitol particles were increased. The mechanical properties of lyophilised mannitol tablets improved with decreasing mannitol concentration. The use of lyophilised mannitol has profoundly improved the dissolution rate of indomethacin from tablets in comparison to commercial mannitol. This improvement exhibited an increasing trend with decreasing mannitol concentration. In conclusion, mannitols lyophilised from lower concentrations are more desirable in tableting than mannitols from higher concentrations due to their better mechanical and dissolution properties. Copyright © 2016 Elsevier B.V. All rights reserved.

Naturally derived and synthetic scaffolds for skeletal muscle reconstruction☆

PubMed Central

Wolf, Matthew T.; Dearth, Christopher L.; Sonnenberg, Sonya B.; Loboa, Elizabeth G.; Badylak, Stephen F.

2017-01-01

Skeletal muscle tissue has an inherent capacity for regeneration following injury. However, severe trauma, such as volumetric muscle loss, overwhelms these natural muscle repair mechanisms prompting the search for a tissue engineering/regenerative medicine approach to promote functional skeletal muscle restoration. A desirable approach involves a bioscaffold that simultaneously acts as an inductive microenvironment and as a cell/drug delivery vehicle to encourage muscle ingrowth. Both biologically active, naturally derived materials (such as extracellular matrix) and carefully engineered synthetic polymers have been developed to provide such a muscle regenerative environment. Next generation naturally derived/synthetic “hybrid materials” would combine the advantageous properties of these materials to create an optimal platform for cell/drug delivery and possess inherent bioactive properties. Advances in scaffolds using muscle tissue engineering are reviewed herein. PMID:25174309

Natural and synthetic polymers in fabric and home care applications

NASA Astrophysics Data System (ADS)

Paderes, Monissa; Ahirwal, Deepak; Fernández Prieto, Susana

2017-07-01

Polymers can be tailored to provide different benefits in Fabric & Home Care formulations depending on the monomers and modifications used, such as avoiding dye transfer inhibition in the wash, modifying the surface of tiles or increasing the viscosity and providing suspension properties to consumer products. Specifically, the rheology modification properties of synthetic and natural polymers are discussed in this chapter. The choice of a polymeric rheology modifier will depend on the formulation ingredients (charges, functional groups), the type and the amount of surfactants, the pH and the desired rheology modification. Natural polymeric rheology modifiers have been traditionally used in the food industry, being xanthan gum one of the most well-known ones. On the contrary, synthetic rheology modifiers are preferably used in paints & coats, textile printing and cleaning products.

A review on chitosan centred scaffolds and their applications in tissue engineering.

PubMed

Ahmed, Shakeel; Annu; Sheikh, Javed; Ali, Akbar

2018-05-03

The diversity and availability of biopolymer and increased clinical demand for safe scaffolds lead to an increased interest in fabricating scaffolds in order to achieve fruitful progress in tissue engineering. Due to biocompatibility, biodegradability, inherent antimicrobial character, chitosan has drawn ample consideration in recent years. Chitosan is a biopolymer obtained by de-acetylation of chitin extracted from shells of crustaceans and fungi. Due to the presence of reactive functionality in the molecular chain chitosan can be modified either chemically or physically to fabricate the tailor-made scaffolds having desired properties for tissue engineering centered applications. In this review chitosan, its properties and role either virgin, chemically or physically modified, 2D or 3D scaffolds for tissue engineering application have been highlighted. Copyright © 2017. Published by Elsevier B.V.

Structure - Property Relationships of Furanyl Thermosetting Polymer Materials Derived from Biobased Feedstocks

NASA Astrophysics Data System (ADS)

Hu, Fengshuo

Biobased thermosetting polymers have drawn significant attention due to their potential positive economic and ecological impacts. New materials should mimic the rigid, phenylic structures of incumbent petroleum-based thermosetting monomers and possess superior thermal and mechanical properties. Furans and triglycerides derived from cellulose, hemicellulose and plant oils are promising candidates for preparing such thermosetting materials. In this work, furanyl diepoxies, diamines and di-vinyl esters were synthesized using biobased furanyl materials, and their thermal and mechanical properties were investigated using multiple techniques. The structure versus property relationship showed that, compared with the prepared phenylic analogues, biobased furanyl thermosetting materials possess improved glassy storage modulus (E '), advanced fracture toughness, superior high-temperature char yield and comparable glass transition temperature (Tg) properties. An additive molar function analysis of the furanyl building block to the physical properties, such as Tg and density, of thermosetting polymers was performed. The molar glass transition function value (Yg) and molar volume increment value (Va,i) of the furanyl building block were obtained. Biobased epoxidized soybean oil (ESO) was modified using different fatty acids at varying molar ratios, and these prepared materials dramatically improved the critical strain energy release rate (G1c) and the critical stress intensity factor (K1c) values of commercial phenylic epoxy resins, without impairing their Tg and E ' properties. Overall, it was demonstrated that biobased furans and triglycerides possess promising potential for use in preparing high-performance thermosetting materials, and the established methodologies in this work can be utilized to direct the preparation of thermosetting materials with thermal and mechanical properties desired for practical applications.

Effect of chemical modification on tribological properties

USDA-ARS?s Scientific Manuscript database

Biobased ingredients possess a number of properties that makes them very desirable for applications in lubricant formulations. These include: excellent boundary properties, high viscosity index, low volatility, low traction coefficient, renewability, and biodegradability. Biobased ingredients also h...

Grafting of Oligo(ethylene glycol)-Functionalized Calix[4]arene-Tetradiazonium Salts for Antifouling Germanium and Gold Surfaces.

PubMed

Blond, Pascale; Mattiuzzi, Alice; Valkenier, Hennie; Troian-Gautier, Ludovic; Bergamini, Jean-François; Doneux, Thomas; Goormaghtigh, Erik; Raussens, Vincent; Jabin, Ivan

2018-05-29

Biosensors that can determine protein concentration and structure are highly desired for biomedical applications. For the development of such biosensors, the use of Fourier transform infrared (FTIR) spectroscopy with the attenuated internal total reflection (ATR) configuration is particularly attractive, but it requires appropriate surface functionalization of the ATR optical element. Indeed, the surface has to specifically interact with a target protein in close contact with the optical element and must display antifouling properties to prevent nonspecific adsorption of other proteins. Here, we report robust monolayers of calix[4]arenes bearing oligo(ethylene glycol) (oEG) chains, which were grafted on germanium and gold surfaces via their tetradiazonium salts. The formation of monolayers of oEGylated calix[4]arenes was confirmed by AFM, IR, and contact angle measurements. The antifouling properties of these modified surfaces were studied by ATR-FTIR spectroscopy and fluorescence microscopy, and the nonspecific absorption of bovine serum albumin was found to be reduced by 85% compared to that of unmodified germanium. In other words, the organic coating by oEGylated calix[4]arenes provides remarkable antifouling properties, opening the way for the design of germanium- or gold-based biosensors.

Synthesis, Characterization, and Cross-Linking Strategy of a Quercetin-Based Epoxidized Monomer as a Naturally-Derived Replacement for BPA in Epoxy Resins.

PubMed

Kristufek, Samantha L; Yang, Guozhen; Link, Lauren A; Rohde, Brian J; Robertson, Megan L; Wooley, Karen L

2016-08-23

The natural polyphenolic compound quercetin was functionalized and cross-linked to afford a robust epoxy network. Quercetin was selectively methylated and functionalized with glycidyl ether moieties using a microwave-assisted reaction on a gram scale to afford the desired monomer (Q). This quercetin-derived monomer was treated with nadic methyl anhydride (NMA) to obtain a cross-linked network (Q-NMA). The thermal and mechanical properties of this naturally derived network were compared to those of a conventional diglycidyl ether bisphenol A-derived counterpart (DGEBA-NMA). Q-NMA had similar thermal properties [i.e., glass transition (Tg ) and decomposition (Td ) temperatures] and comparable mechanical properties (i.e., Young's Modulus, storage modulus) to that of DGEBA-NMA. However, it had a lower tensile strength and higher flexural modulus at elevated temperatures. The application of naturally derived, sustainable compounds for the replacement of commercially available petrochemical-based epoxies is of great interest to reduce the environmental impact of these materials. Q-NMA is an attractive candidate for the replacement of bisphenol A-based epoxies in various specialty engineering applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Small World of Neuronal Synchrony

PubMed Central

Yu, Shan; Huang, Debin; Singer, Wolf

2008-01-01

A small-world network has been suggested to be an efficient solution for achieving both modular and global processing—a property highly desirable for brain computations. Here, we investigated functional networks of cortical neurons using correlation analysis to identify functional connectivity. To reconstruct the interaction network, we applied the Ising model based on the principle of maximum entropy. This allowed us to assess the interactions by measuring pairwise correlations and to assess the strength of coupling from the degree of synchrony. Visual responses were recorded in visual cortex of anesthetized cats, simultaneously from up to 24 neurons. First, pairwise correlations captured most of the patterns in the population's activity and, therefore, provided a reliable basis for the reconstruction of the interaction networks. Second, and most importantly, the resulting networks had small-world properties; the average path lengths were as short as in simulated random networks, but the clustering coefficients were larger. Neurons differed considerably with respect to the number and strength of interactions, suggesting the existence of “hubs” in the network. Notably, there was no evidence for scale-free properties. These results suggest that cortical networks are optimized for the coexistence of local and global computations: feature detection and feature integration or binding. PMID:18400792

Formation, antioxidant property and oxidative stability of cold pressed rice bran oil emulsion.

PubMed

Thanonkaew, Amonrat; Wongyai, Surapote; Decker, Eric A; McClements, David J

2015-10-01

Cold pressed rice bran oil (CPRBO) is used in foods, cosmetics, and pharmaceuticals due to its desirable health and functional attributes. The purpose of this work was to study the formation, antioxidant property and oxidative stability of oil-in-water emulsion of CPRBO. The influence of oil (10-40 % CPRBO) and surfactant (1-5 % glyceryl monostearate (GMS)) concentration on the properties of emulsions were studied. The lightness (L*) and yellowness (b*) of CPRBO emulsions decreased as GMS concentration increased, which was attributed to a decrease in droplet size after homogenization. The CPRBO emulsion was stable during storage at room temperature for 30 days. Increasing the oil concentration in the CPRBO emulsions increased their antioxidant activity, which can be attributed to the corresponding increase in phytochemical content. However, GMS concentration had little impact on the antioxidant activity of CPRBO emulsions. The storage of CPRBO emulsion at room temperature showed that lipid oxidation markers gradually increased after 30 days of storage, which was correlated to a decrease in gamma oryzanol content and antioxidant activity. These results have important implications for the utilization of rice bran oil (RBO) as a function ingredient in food, cosmetic, and pharmaceutical products.

Magnitude and sign of long-range correlated time series: Decomposition and surrogate signal generation.

PubMed

Gómez-Extremera, Manuel; Carpena, Pedro; Ivanov, Plamen Ch; Bernaola-Galván, Pedro A

2016-04-01

We systematically study the scaling properties of the magnitude and sign of the fluctuations in correlated time series, which is a simple and useful approach to distinguish between systems with different dynamical properties but the same linear correlations. First, we decompose artificial long-range power-law linearly correlated time series into magnitude and sign series derived from the consecutive increments in the original series, and we study their correlation properties. We find analytical expressions for the correlation exponent of the sign series as a function of the exponent of the original series. Such expressions are necessary for modeling surrogate time series with desired scaling properties. Next, we study linear and nonlinear correlation properties of series composed as products of independent magnitude and sign series. These surrogate series can be considered as a zero-order approximation to the analysis of the coupling of magnitude and sign in real data, a problem still open in many fields. We find analytical results for the scaling behavior of the composed series as a function of the correlation exponents of the magnitude and sign series used in the composition, and we determine the ranges of magnitude and sign correlation exponents leading to either single scaling or to crossover behaviors. Finally, we obtain how the linear and nonlinear properties of the composed series depend on the correlation exponents of their magnitude and sign series. Based on this information we propose a method to generate surrogate series with controlled correlation exponent and multifractal spectrum.

Organic-dye-coupled magnetic nanoparticles encaged inside thermoresponsive PNIPAM Microcapsules.

PubMed

Guo, Jia; Yang, Wuli; Deng, Yonghui; Wang, Changchun; Fu, Shoukuan

2005-07-01

We present a new approach for the fabrication of thermoresponsive polymer microcapsules with mobile magnetic cores that undergo a volume phase-transition upon changing the temperature and are collected under an external magnetic field. We have prepared organic/inorganic composite microspheres with a well-defined core-shell structure that are composed of a crosslinked poly(N-isopropylacrylamide) (PNIPAM) shell and silica cores dotted centrally by magnetite nanoparticles. Since the infiltration of template-decomposed products is dependent on the permeability of PNIPAM shells triggered by changes of exterior temperature, the silica layer sandwiched between the magnetic core and the PNIPAM shell was quantitatively removed to generate PNIPAM microcapsules with mobile magnetic cores by treatment with aqueous NaOH solution. For development of the desired multifunctional microcapsules, modification of the unetched silica surface interiors can be realized by treatment with a silane coupling agent containing functional groups that can easily bind to catalysts, enzymes, or labeling molecules. Herein, fluorescein isothiocyanate (FITC), which is a common organic dye, is attached to the insides of the mobile magnetic cores to give PNIPAM microcapsules with FITC-labeled magnetic cores. In this system, it can be expected that an extension of the functionalization of the cavity properties of smart polymer microcapsules is to immobilize other target molecules onto the mobile cores in order to introduce other desired functions in the hollow cage.

The Lived Experiences of Sexual Desire Among Chinese-Canadian Men and Women.

PubMed

Dang, Silvain; Chang, Sabrina; Brotto, Lori A

2017-05-19

How North American Chinese conceptualize and experience sexual desire is not well understood, and may have implications for understanding cross-cultural differences in sexual functioning. This study examined narratives of sexual desire among Chinese men and women in Canada. Ten each of Chinese men (age: M = 24.0, range = 18-42) and women (age: M = 23.5, range = 19-38) took part in semi-structured interviews in which they were invited to share personal accounts of sexual desire. A phenomenological analysis of participants' responses showed men and women described desire as having genital, nongenital-physical, and cognitive-emotional components. Chinese cultural prohibitions against sexuality, particularly pronounced in women, were a common inhibitor of desire. Relationship factors appeared as a frequently endorsed context and target of desire. These findings suggest that relationship context is of paramount importance in Chinese individuals and that previous findings of low sexual functioning in this group may be due to inhibition from cultural factors. However, the experience of desire in Chinese individuals is also in many ways similar to that of existing conceptualizations from Western samples.

Assembly of quasicrystalline photonic heterostructures

DOEpatents

Grier, David G.; Roichman, Yael; Man, Weining; Chaikin, Paul Michael; Steinhardt, Paul Joseph

2013-03-12

A method and system for assembling a quasicrystalline heterostructure. A plurality of particles is provided with desirable predetermined character. The particles are suspended in a medium, and holographic optical traps are used to position the particles in a way to achieve an arrangement which provides a desired property.

Assembly of quasicrystalline photonic heterostructures

DOEpatents

Grier, David G [New York, NY; Roichman, Yael [New York, NY; Man, Weining [Princeton, NJ; Chaikin, Paul Michael [Pennington, NJ; Steinhardt, Paul Joseph [Princeton, NJ

2011-07-19

A method and system for assembling a quasicrystalline heterostructure. A plurality of particles is provided with desirable predetermined character. The particles are suspended in a medium, and holographic optical traps are used to position the particles in a way to achieve an arrangement which provides a desired property.

PROSTATE REGULATION: MODELING ENDOGENOUS ...

EPA Pesticide Factsheets

Prostate function is an important indicator of androgen status in toxicological studies making predictive modeling of the relevant pharmacokinetics and pharmacodynamics desirable. Prostate function is an important indicator of androgen status in toxicological studies making predictive modeling of the relevant pharmacokinetics and pharmacodynamics desirable.

Effects of hyperthyroidism, hypothyroidism, and thyroid autoimmunity on female sexual function.

PubMed

Oppo, A; Franceschi, E; Atzeni, F; Taberlet, A; Mariotti, S

2011-06-01

Thyroid hormones affect male and female sexual functions, but data in hypo- and hyperthyroid women are scanty. To investigate sexual function in hypo- and hyperthyroid women before and immediately after restoration of euthyroidism and in women with euthyroid Hashimoto's thyroiditis (HT). Fifty-six women with thyroid diseases (age 19-50 yr; 22 with hyperthyroidism, 17 with hypothyroidism, and 17 with euthyroid HT) and 30 age-matched healthy women. Hypoactive sexual desire, disorders of sexual arousal, vaginal lubrication, orgasm, satisfaction, and sexual pain (SPD) were assessed by Female Sexual Function Index. Serum TSH, free T4 (FT4) and thyroid autoantibodies (anti-thyroglobulin, anti-thyroperoxidase, and TSH-receptor antibodies) were assessed at the diagnosis; FT4 and TSH were repeated after treatment to confirm normalization of thyroid function. All sexual domains scores were significantly reduced (p ranging <0.0001-<0.05) in both hypo- and hyperthyroid women. Correction of hypothyroidism was associated to normalization of desire, satisfaction, and pain, while arousal and orgasm remained unchanged. In hyperthyroid women therapy normalized sexual desire, arousal/lubrication, satisfaction, and pain, while orgasm remained significantly impaired. Interestingly, euthyroid HT women displayed a significant decrease in sexual desire (p<0.0005), with no changes in the other sexual domains. Both hypo- and hyperthyroidism markedly impair female sexual function. A rapid improvement is observed with the restoration of euthyroidism, although a longer period of time may be needed for full normalization. Preliminary data suggest that thyroid autoimmunity may selectively impair sexual desire, independently from thyroid function.

RE-DEFINING THE ROLES OF SENSORS IN OBJECTIVE PHYSICAL ACTIVITY MONITORING

PubMed Central

Chen, Kong Y.; Janz, Kathleen F.; Zhu, Weimo; Brychta, Robert J.

2011-01-01

Background As physical activity researchers are increasingly using objective portable devices, this review describes current state of the technology to assess physical activity, with a focus on specific sensors and sensor properties currently used in monitors and their strengths and weakness. Additional sensors and sensor properties desirable for activity measurement and best practices for users and developers also are discussed. Best Practices We grouped current sensors into three broad categories for objectively measuring physical activity: associated body movement, physiology, and context. Desirable sensor properties for measuring physical activity and the importance of these properties in relationship to specific applications are addressed, and the specific roles of transducers and data acquisition systems within the monitoring devices are defined. Technical advancements in sensors, microcomputer processors, memory storage, batteries, wireless communication, and digital filters have made monitors more usable for subjects (smaller, more stable, and longer running time) and for researchers (less costly, higher time resolution and memory storage, shorter download time, and user-defined data features). Future Directions Users and developers of physical activity monitors should learn about the basic properties of their sensors, such as range, accuracy, precision, while considering the data acquisition/filtering steps that may be critical to data quality and may influence the desirable measurement outcome(s). PMID:22157770

Decoupling local mechanics from large-scale structure in modular metamaterials.

PubMed

Yang, Nan; Silverberg, Jesse L

2017-04-04

A defining feature of mechanical metamaterials is that their properties are determined by the organization of internal structure instead of the raw fabrication materials. This shift of attention to engineering internal degrees of freedom has coaxed relatively simple materials into exhibiting a wide range of remarkable mechanical properties. For practical applications to be realized, however, this nascent understanding of metamaterial design must be translated into a capacity for engineering large-scale structures with prescribed mechanical functionality. Thus, the challenge is to systematically map desired functionality of large-scale structures backward into a design scheme while using finite parameter domains. Such "inverse design" is often complicated by the deep coupling between large-scale structure and local mechanical function, which limits the available design space. Here, we introduce a design strategy for constructing 1D, 2D, and 3D mechanical metamaterials inspired by modular origami and kirigami. Our approach is to assemble a number of modules into a voxelized large-scale structure, where the module's design has a greater number of mechanical design parameters than the number of constraints imposed by bulk assembly. This inequality allows each voxel in the bulk structure to be uniquely assigned mechanical properties independent from its ability to connect and deform with its neighbors. In studying specific examples of large-scale metamaterial structures we show that a decoupling of global structure from local mechanical function allows for a variety of mechanically and topologically complex designs.

Decoupling local mechanics from large-scale structure in modular metamaterials

NASA Astrophysics Data System (ADS)

Yang, Nan; Silverberg, Jesse L.

2017-04-01

A defining feature of mechanical metamaterials is that their properties are determined by the organization of internal structure instead of the raw fabrication materials. This shift of attention to engineering internal degrees of freedom has coaxed relatively simple materials into exhibiting a wide range of remarkable mechanical properties. For practical applications to be realized, however, this nascent understanding of metamaterial design must be translated into a capacity for engineering large-scale structures with prescribed mechanical functionality. Thus, the challenge is to systematically map desired functionality of large-scale structures backward into a design scheme while using finite parameter domains. Such “inverse design” is often complicated by the deep coupling between large-scale structure and local mechanical function, which limits the available design space. Here, we introduce a design strategy for constructing 1D, 2D, and 3D mechanical metamaterials inspired by modular origami and kirigami. Our approach is to assemble a number of modules into a voxelized large-scale structure, where the module’s design has a greater number of mechanical design parameters than the number of constraints imposed by bulk assembly. This inequality allows each voxel in the bulk structure to be uniquely assigned mechanical properties independent from its ability to connect and deform with its neighbors. In studying specific examples of large-scale metamaterial structures we show that a decoupling of global structure from local mechanical function allows for a variety of mechanically and topologically complex designs.

Psychological Factors Involved in Sexual Desire, Sexual Activity, and Sexual Satisfaction: A Multi-factorial Perspective.

PubMed

Dosch, Alessandra; Rochat, Lucien; Ghisletta, Paolo; Favez, Nicolas; Van der Linden, Martial

2016-11-01

This study explored the role of psychological trait factors in sexual desire and sexual activity. In particular, it investigated how these factors may contribute to maintaining a balance between motivational aspects and self-control abilities, as both have been considered important in relation to adaptive sexuality. Moreover, the study explored the relationship between sexual desire, activity, and satisfaction. Participants completed questionnaires assessing sexual desire (dyadic, solitary), sexual activity (with a partner, alone), sexual satisfaction, approach and avoidance motivation, attachment, self-control, sensation seeking, and mindfulness. Cluster analyses, based on participants' level of sexual desire and sexual activity, highlighted three distinct profiles for each gender related to different types of psychological functioning: (a) participants with high dyadic sexual desire and activity were the most sexually satisfied, showed optimal psychological functioning, and were characterized by a balance between motivational tendencies to seek positive rewards and self-control abilities (high approach motivation, secure attachment, high self-control, high mindfulness); (b) participants with high dyadic and solitary sexual desire and activity were moderately satisfied and showed a type of psychological functioning predominantly characterized by impulsivity (an overly high motivation to obtain rewards in women, and low self-control in men); (c) participants with low dyadic sexual desire and activity were the least sexually satisfied and were characterized by high motivation to avoid negative consequences and low self-control (high avoidance motivation, insecure attachment, and poor mindfulness). These results shed further light on how fundamental psychological factors contribute to explain the individual variability in sexual desire, activity, and satisfaction.

[Development of fluorescent probes for bone imaging in vivo ~Fluorescent probes for intravital imaging of osteoclast activity~.

PubMed

Minoshima, Masafumi; Kikuchi, Kazuya

Fluorescent molecules are widely used as a tool to directly visualize target biomolecules in vivo. Fluorescent probes have the advantage that desired function can be rendered based on rational design. For bone-imaging fluorescent probes in vivo, they should be delivered to bone tissue upon administration. Recently, a fluorescent probe for detecting osteoclast activity was developed. The fluorescent probe has acid-sensitive fluorescence property, specific delivery to bone tissue, and durability against laser irradiation, which enabled real-time intravital imaging of bone-resorbing osteoclasts for a long period of time.

An artificial elementary eye with optic flow detection and compositional properties.

PubMed

Pericet-Camara, Ramon; Dobrzynski, Michal K; Juston, Raphaël; Viollet, Stéphane; Leitel, Robert; Mallot, Hanspeter A; Floreano, Dario

2015-08-06

We describe a 2 mg artificial elementary eye whose structure and functionality is inspired by compound eye ommatidia. Its optical sensitivity and electronic architecture are sufficient to generate the required signals for the measurement of local optic flow vectors in multiple directions. Multiple elementary eyes can be assembled to create a compound vision system of desired shape and curvature spanning large fields of view. The system configurability is validated with the fabrication of a flexible linear array of artificial elementary eyes capable of extracting optic flow over multiple visual directions. © 2015 The Author(s).

Electroplating lithium transition metal oxides.

PubMed

Zhang, Huigang; Ning, Hailong; Busbee, John; Shen, Zihan; Kiggins, Chadd; Hua, Yuyan; Eaves, Janna; Davis, Jerome; Shi, Tan; Shao, Yu-Tsun; Zuo, Jian-Min; Hong, Xuhao; Chan, Yanbin; Wang, Shuangbao; Wang, Peng; Sun, Pengcheng; Xu, Sheng; Liu, Jinyun; Braun, Paul V

2017-05-01

Materials synthesis often provides opportunities for innovation. We demonstrate a general low-temperature (260°C) molten salt electrodeposition approach to directly electroplate the important lithium-ion (Li-ion) battery cathode materials LiCoO 2 , LiMn 2 O 4 , and Al-doped LiCoO 2 . The crystallinities and electrochemical capacities of the electroplated oxides are comparable to those of the powders synthesized at much higher temperatures (700° to 1000°C). This new growth method significantly broadens the scope of battery form factors and functionalities, enabling a variety of highly desirable battery properties, including high energy, high power, and unprecedented electrode flexibility.

Method of controlling a resin curing process. [for fiber reinforced composites

NASA Technical Reports Server (NTRS)

Webster, Charles Neal (Inventor); Scott, Robert O. (Inventor)

1989-01-01

The invention relates to an analytical technique for controlling the curing process of fiber-reinforced composite materials that are formed using thermosetting resins. The technique is the percent gel method and involves development of a time-to-gel equation as a function of temperature. From this equation a rate-of-gel equation is then determined, and a percent gel is calculated which is the product of rate-of-gel times time. Percent gel accounting is used to control the proper pressure application point in an autoclave cure process to achieve desired properties in a production composite part.

Liposome Formulation of Fullerene-Based Molecular Diagnostic and Therapeutic Agents

PubMed Central

Zhou, Zhiguo

2013-01-01

Fullerene medicine is a new but rapidly growing research subject. Fullerene has a number of desired structural, physical and chemical properties to be adapted for biological use including antioxidants, anti-aging, anti-inflammation, photodynamic therapy, drug delivery, and magnetic resonance imaging contrast agents. Chemical functionalization of fullerenes has led to several interesting compounds with very promising preclinical efficacy, pharmacokinetic and safety data. However, there is no clinical evaluation or human use except in fullerene-based cosmetic products for human skincare. This article summarizes recent advances in liposome formulation of fullerenes for the use in therapeutics and molecular imaging. PMID:24300561

Neural Network Burst Pressure Prediction in Graphite/Epoxy Pressure Vessels from Acoustic Emission Amplitude Data

NASA Technical Reports Server (NTRS)

Hill, Eric v. K.; Walker, James L., II; Rowell, Ginger H.

1995-01-01

Acoustic emission (AE) data were taken during hydroproof for three sets of ASTM standard 5.75 inch diameter filament wound graphite/epoxy bottles. All three sets of bottles had the same design and were wound from the same graphite fiber; the only difference was in the epoxies used. Two of the epoxies had similar mechanical properties, and because the acoustic properties of materials are a function of their stiffnesses, it was thought that the AE data from the two sets might also be similar; however, this was not the case. Therefore, the three resin types were categorized using dummy variables, which allowed the prediction of burst pressures all three sets of bottles using a single neural network. Three bottles from each set were used to train the network. The resin category, the AE amplitude distribution data taken up to 25 % of the expected burst pressure, and the actual burst pressures were used as inputs. Architecturally, the network consisted of a forty-three neuron input layer (a single categorical variable defining the resin type plus forty-two continuous variables for the AE amplitude frequencies), a fifteen neuron hidden layer for mapping, and a single output neuron for burst pressure prediction. The network trained on all three bottle sets was able to predict burst pressures in the remaining bottles with a worst case error of + 6.59%, slightly greater than the desired goal of + 5%. This larger than desired error was due to poor resolution in the amplitude data for the third bottle set. When the third set of bottles was eliminated from consideration, only four hidden layer neurons were necessary to generate a worst case prediction error of - 3.43%, well within the desired goal.

Perceiving environmental properties from motion information: Minimal conditions

NASA Technical Reports Server (NTRS)

Proffitt, Dennis R.; Kaiser, Mary K.

1989-01-01

The status of motion as a minimal information source for perceiving the environmental properties of surface segregation, three-dimensional (3-D) form, displacement, and dynamics is discussed. The selection of these particular properties was motivated by a desire to present research on perceiving properties that span the range of dimensional complexity.

Invited Article: Autonomous assembly of atomically perfect nanostructures using a scanning tunneling microscope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Celotta, Robert J., E-mail: robert.celotta@nist.gov, E-mail: joseph.stroscio@nist.gov; Hess, Frank M.; Rutter, Gregory M.

2014-12-15

A major goal of nanotechnology is to develop the capability to arrange matter at will by placing individual atoms at desired locations in a predetermined configuration to build a nanostructure with specific properties or function. The scanning tunneling microscope has demonstrated the ability to arrange the basic building blocks of matter, single atoms, in two-dimensional configurations. An array of various nanostructures has been assembled, which display the quantum mechanics of quantum confined geometries. The level of human interaction needed to physically locate the atom and bring it to the desired location limits this atom assembly technology. Here we report themore » use of autonomous atom assembly via path planning technology; this allows atomically perfect nanostructures to be assembled without the need for human intervention, resulting in precise constructions in shorter times. We demonstrate autonomous assembly by assembling various quantum confinement geometries using atoms and molecules and describe the benefits of this approach.« less

Synthetic biology approaches in drug discovery and pharmaceutical biotechnology.

PubMed

Neumann, Heinz; Neumann-Staubitz, Petra

2010-06-01

Synthetic biology is the attempt to apply the concepts of engineering to biological systems with the aim to create organisms with new emergent properties. These organisms might have desirable novel biosynthetic capabilities, act as biosensors or help us to understand the intricacies of living systems. This approach has the potential to assist the discovery and production of pharmaceutical compounds at various stages. New sources of bioactive compounds can be created in the form of genetically encoded small molecule libraries. The recombination of individual parts has been employed to design proteins that act as biosensors, which could be used to identify and quantify molecules of interest. New biosynthetic pathways may be designed by stitching together enzymes with desired activities, and genetic code expansion can be used to introduce new functionalities into peptides and proteins to increase their chemical scope and biological stability. This review aims to give an insight into recently developed individual components and modules that might serve as parts in a synthetic biology approach to pharmaceutical biotechnology.

Romantic love and sexual desire in close relationships.

PubMed

Gonzaga, Gian C; Turner, Rebecca A; Keltner, Dacher; Campos, Belinda; Altemus, Margaret

2006-05-01

Drawing on recent claims in the study of relationships, attachment, and emotion, the authors hypothesized that romantic love serves a commitment-related function and sexual desire a reproduction-related function. Consistent with these claims, in Study 1, brief experiences of romantic love and sexual desire observed in a 3-min interaction between romantic partners were related to distinct feeling states, distinct nonverbal displays, and commitment- and reproductive-related relationship outcomes, respectively. In Study 2, the nonverbal display of romantic love was related to the release of oxytocin. Discussion focuses on the place of romantic love and sexual desire in the literature on emotion. 2006 APA, all rights reserved

Full space device optimization for solar cells.

PubMed

Baloch, Ahmer A B; Aly, Shahzada P; Hossain, Mohammad I; El-Mellouhi, Fedwa; Tabet, Nouar; Alharbi, Fahhad H

2017-09-20

Advances in computational materials have paved a way to design efficient solar cells by identifying the optimal properties of the device layers. Conventionally, the device optimization has been governed by single or double descriptors for an individual layer; mostly the absorbing layer. However, the performance of the device depends collectively on all the properties of the material and the geometry of each layer in the cell. To address this issue of multi-property optimization and to avoid the paradigm of reoccurring materials in the solar cell field, a full space material-independent optimization approach is developed and presented in this paper. The method is employed to obtain an optimized material data set for maximum efficiency and for targeted functionality for each layer. To ensure the robustness of the method, two cases are studied; namely perovskite solar cells device optimization and cadmium-free CIGS solar cell. The implementation determines the desirable optoelectronic properties of transport mediums and contacts that can maximize the efficiency for both cases. The resulted data sets of material properties can be matched with those in materials databases or by further microscopic material design. Moreover, the presented multi-property optimization framework can be extended to design any solid-state device.

Nutrient composition, functional, and pasting properties of unripe cooking banana, pigeon pea, and sweetpotato flour blends.

PubMed

Ohizua, Ehimen R; Adeola, Abiodun A; Idowu, Micheal A; Sobukola, Olajide P; Afolabi, T Adeniyi; Ishola, Raphael O; Ayansina, Simeon O; Oyekale, Tolulope O; Falomo, Ayorinde

2017-05-01

This study investigated some quality attributes of unripe cooking banana (UBF), pigeon pea (PPF), and sweetpotato (SPF) flour blends. Simplex centroid mixture design was used to obtain 17 blends from the flours. The nutrient composition, color, and functional properties of the blends were evaluated using standard methods. Data were subjected to analysis of variance and treatment means were compared using Duncan's multiple range test at 5% probability level. There were significant ( p  < .05) differences in the nutrient composition, and functional and pasting properties of the blends. The crude protein, crude fiber, ash, foaming capacity, emulsion capacity, and least gelation capacity of the blends increased as the PPF level increased. The blends had Na/K ratio of <1.0. The dispersibility, bulk density, water, and oil absorption capacities of the blends increased as SPF and UBF increased. The peak, setback, and final viscosities increased as UBF and SPF inclusion increased,whereas pasting temperature and time increased as the PPF level increased. The L*, a*, and b* values of the flour blends which were significantly ( p  < .05) different ranged from 79.58 to 102.71, -0.15 to 2.79, and 13.82 to 23.69, respectively. Cooking banana-pigeon pea-sweetpotato flour blends are desirable for alleviating malnutrition in Nigeria and developing new food formulations.

The influence of conjugated alkynyl(aryl) surface groups on the optical properties of silicon nanocrystals: photoluminescence through in-gap states.

PubMed

Angı, Arzu; Sinelnikov, Regina; Heenen, Hendrik H; Meldrum, Al; Veinot, Jonathan G C; Scheurer, Christoph; Reuter, Karsten; Ashkenazy, Or; Azulay, Doron; Balberg, Isaac; Millo, Oded; Rieger, Bernhard

2018-08-31

Developing new methods, other than size and shape, for controlling the optoelectronic properties of semiconductor nanocrystals is a highly desired target. Here we demonstrate that the photoluminescence (PL) of silicon nanocrystals (SiNCs) can be tuned in the range 685-800 nm solely via surface functionalization with alkynyl(aryl) (phenylacetylene, 2-ethynylnaphthalene, 2-ethynyl-5-hexylthiophene) surface groups. Scanning tunneling microscopy/spectroscopy on single nanocrystals revealed the formation of new in-gap states adjacent to the conduction band edge of the functionalized SiNCs. PL red-shifts were attributed to emission through these in-gap states, which reduce the effective band gap for the electron-hole recombination process. The observed in-gap states can be associated with new interface states formed via (-Si-C≡C-) bonds in combination with conjugated molecules as indicated by ab initio calculations. In contrast to alkynyl(aryl)s, the formation of in-gap states and shifts in PL maximum of the SiNCs were not observed with aryl (phenyl, naphthalene, 2-hexylthiophene) and alkynyl (1-dodecyne) surface groups. These outcomes show that surface functionalization with alkynyl(aryl) molecules is a valuable tool to control the electronic structure and optical properties of SiNCs via tuneable interface states, which may enhance the performance of SiNCs in semiconductor devices.

Fabrication of phosphonic acid films on nitinol nanoparticles by dynamic covalent assembly

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quinones, Rosalynn; Garretson, Samantha; Behnke, Grayce

Nitinol (NiTi) nanoparticles are a valuable metal alloy due to many unique properties that allow for medical applications. NiTi nanoparticles have the potential to form nanofluids, which can advance the thermal conductivity of fluids by controlling the surface functionalization through chemical attachment of organic acids to the surface to form self-assembled alkylphosphonate films. In this study, phosphonic functional head groups such as 16-phosphonohexadecanoic acid, octadecylphosphonic acid, and 12-aminododecylphosphonic acid were used to form an ordered and strongly chemically bounded film on the NiTi nanopowder. The surface of the NiTi nanoparticles was modified in order to tailor the chemical and physicalmore » properties to the desired application. The modified NiTi nanoparticles were characterized using infrared spectroscopy, powder X-ray diffraction, X-ray photoelectron spectroscopy, and 31P solid-state nuclear magnetic resonance. The interfacial bonding was identified by spectroscopic data suggesting the phosphonic head group adsorbs in a mixed bidentate/monodentate binding motif on the NiTi nanoparticles. Dynamic light scattering and scanning electron microscopy-energy dispersive X-ray spectroscopy revealed the particle sizes. Differential scanning calorimetry was used to examine the phase transitions. Zeta potential determination as a function of pH was examined to investigate the surface properties of charged nanoparticles. In conclusion, the influence of environmental stability of the surface modifications was also assessed.« less

Fabrication of phosphonic acid films on nitinol nanoparticles by dynamic covalent assembly

DOE PAGES

Quinones, Rosalynn; Garretson, Samantha; Behnke, Grayce; ...

2017-09-25

Nitinol (NiTi) nanoparticles are a valuable metal alloy due to many unique properties that allow for medical applications. NiTi nanoparticles have the potential to form nanofluids, which can advance the thermal conductivity of fluids by controlling the surface functionalization through chemical attachment of organic acids to the surface to form self-assembled alkylphosphonate films. In this study, phosphonic functional head groups such as 16-phosphonohexadecanoic acid, octadecylphosphonic acid, and 12-aminododecylphosphonic acid were used to form an ordered and strongly chemically bounded film on the NiTi nanopowder. The surface of the NiTi nanoparticles was modified in order to tailor the chemical and physicalmore » properties to the desired application. The modified NiTi nanoparticles were characterized using infrared spectroscopy, powder X-ray diffraction, X-ray photoelectron spectroscopy, and 31P solid-state nuclear magnetic resonance. The interfacial bonding was identified by spectroscopic data suggesting the phosphonic head group adsorbs in a mixed bidentate/monodentate binding motif on the NiTi nanoparticles. Dynamic light scattering and scanning electron microscopy-energy dispersive X-ray spectroscopy revealed the particle sizes. Differential scanning calorimetry was used to examine the phase transitions. Zeta potential determination as a function of pH was examined to investigate the surface properties of charged nanoparticles. In conclusion, the influence of environmental stability of the surface modifications was also assessed.« less

Bioinspired, roughness-induced, water and oil super-philic and super-phobic coatings prepared by adaptable layer-by-layer technique

PubMed Central

Brown, Philip S.; Bhushan, Bharat

2015-01-01

Coatings with specific surface wetting properties are of interest for anti-fouling, anti-fogging, anti-icing, self-cleaning, anti-smudge, and oil-water separation applications. Many previous bioinspired surfaces are of limited use due to a lack of mechanical durability. Here, a layer-by-layer technique is utilized to create coatings with four combinations of water and oil repellency and affinity. An adapted layer-by-layer approach is tailored to yield specific surface properties, resulting in a durable, functional coating. This technique provides necessary flexibility to improve substrate adhesion combined with desirable surface chemistry. Polyelectrolyte binder, SiO2 nanoparticles, and silane or fluorosurfactant layers are deposited, combining surface roughness and necessary chemistry to result in four different coatings: superhydrophilic/superoleophilic, superhydrophobic/superoleophilic, superhydrophobic/superoleophobic, and superhydrophilic/superoleophobic. The superoleophobic coatings display hexadecane contact angles >150° with tilt angles <5°, whilst the superhydrophobic coatings display water contact angles >160° with tilt angles <2°. One coating combines both oleophobic and hydrophobic properties, whilst others mix and match oil and water repellency and affinity. Coating durability was examined through the use of micro/macrowear experiments. These coatings display transparency acceptable for some applications. Fabrication via this novel combination of techniques results in durable, functional coatings displaying improved performance compared to existing work where either durability or functionality is compromised. PMID:26353971

Optimal inverse functions created via population-based optimization.

PubMed

Jennings, Alan L; Ordóñez, Raúl

2014-06-01

Finding optimal inputs for a multiple-input, single-output system is taxing for a system operator. Population-based optimization is used to create sets of functions that produce a locally optimal input based on a desired output. An operator or higher level planner could use one of the functions in real time. For the optimization, each agent in the population uses the cost and output gradients to take steps lowering the cost while maintaining their current output. When an agent reaches an optimal input for its current output, additional agents are generated in the output gradient directions. The new agents then settle to the local optima for the new output values. The set of associated optimal points forms an inverse function, via spline interpolation, from a desired output to an optimal input. In this manner, multiple locally optimal functions can be created. These functions are naturally clustered in input and output spaces allowing for a continuous inverse function. The operator selects the best cluster over the anticipated range of desired outputs and adjusts the set point (desired output) while maintaining optimality. This reduces the demand from controlling multiple inputs, to controlling a single set point with no loss in performance. Results are demonstrated on a sample set of functions and on a robot control problem.

Desirability function combining metabolic stability and functionality of peptides.

PubMed

Van Dorpe, Sylvia; Adriaens, Antita; Vermeire, Simon; Polis, Ingeborgh; Peremans, Kathelijne; Spiegeleer, Bart De

2011-05-01

The evaluation of peptides as potential therapeutic or diagnostic agents requires the consideration of several criteria that are targeted around two axes: functionality and metabolic stability. Most often, a compromise has to be made between these mutually opposing characteristics. In this study, Derringer's desirability function, a multi-criteria decision-making method, was applied to determine the best peptide for opioid studies in a single figure-of-merit. The penetration of the blood-brain barrier (BBB) determines the biological functionality of neuropeptides in the brain target tissue, and consists of an influx and an efflux component. The metabolic stability in the two concerned tissues, i.e. plasma and brain, are taken into consideration as well. The overall selection of the peptide drug candidate having the highest BBB-drugability is difficult due to these conflicting responses as well as the different scalings of the four biological parameters under consideration. The highest desirability, representing the best BBB-drugability, was observed for dermorphin. This peptide is thus the most promising drug candidate from the set of eight opioid peptides that were investigated. The least desirable candidate, with the worst BBB influx and/or metabolic stability, was found to be CTAP. Validation of the desirability function by in vivo medical imaging showed that dermorphin and DAMGO penetrate the BBB, whereas EM-1 and TAPP did not. These results are thus consistent with those obtained with the desirability evaluation. To conclude, the multi-criteria decision method was proven to be useful in biomedical research, where a selection of the best candidate based on opposing characteristics is often required. Copyright © 2011 European Peptide Society and John Wiley & Sons, Ltd.

On Using Homogeneous Polynomials To Design Anisotropic Yield Functions With Tension/Compression Symmetry/Assymetry

NASA Astrophysics Data System (ADS)

Soare, S.; Yoon, J. W.; Cazacu, O.

2007-05-01

With few exceptions, non-quadratic homogeneous polynomials have received little attention as possible candidates for yield functions. One reason might be that not every such polynomial is a convex function. In this paper we show that homogeneous polynomials can be used to develop powerful anisotropic yield criteria, and that imposing simple constraints on the identification process leads, aposteriori, to the desired convexity property. It is shown that combinations of such polynomials allow for modeling yielding properties of metallic materials with any crystal structure, i.e. both cubic and hexagonal which display strength differential effects. Extensions of the proposed criteria to 3D stress states are also presented. We apply these criteria to the description of the aluminum alloy AA2090T3. We prove that a sixth order orthotropic homogeneous polynomial is capable of a satisfactory description of this alloy. Next, applications to the deep drawing of a cylindrical cup are presented. The newly proposed criteria were implemented as UMAT subroutines into the commercial FE code ABAQUS. We were able to predict six ears on the AA2090T3 cup's profile. Finally, we show that a tension/compression asymmetry in yielding can have an important effect on the earing profile.

Density-Functional Theory description of transport in the single-electron transistor

NASA Astrophysics Data System (ADS)

Zawadzki, Krissia; Oliveira, Luiz N.

The Kondo effect governs the low-temperature transport properties of the single electron transistor (SET), a quantum dot bridging two electron gases. In the weak coupling limit, for odd dot occupation, the gate-potential profile of the conductance approaches a step, known as the Kondo plateau. The plateau and other SET properties being well understood on the basis of the Anderson model, more realistic (i. e., DFT) descriptions of the device are now desired. This poses a challenge, since the SET is strongly correlated. DFT computations that reproduce the conductance plateau have been reported, e. g., by, which rely on the exact functional provided by the Bethe-Ansatz solution for the Anderson model. Here, sticking to DFT tradition, we employ a functional derived from a homogeneous system: the parametrization of the Lieb-Wu solution for the Hubbard model due to. Our computations reproduce the plateau and yield other results in accurate agreement with the exact diagonalization of the Anderson Hamiltonian. The prospects for extensions to realistic descriptions of two-dimensional nanostructured devices will be discussed. Luiz N. Oliveira thanks CNPq (312658/2013-3) and Krissia Zawadzki thanks CNPq (140703/2014-4) for financial support.

Bilayer Poly(Lactic-co-glycolic acid)/Nano-Hydroxyapatite Membrane with Barrier Function and Osteogenesis Promotion for Guided Bone Regeneration

PubMed Central

Fu, Li; Wang, Zhanfeng; Dong, Shujun; Cai, Yan; Ni, Yuxin; Zhang, Tianshou; Wang, Lin; Zhou, Yanmin

2017-01-01

Guided bone regeneration (GBR) is one such treatment that reconstructs neo-bone tissue by using a barrier membrane to prevent the invasion of soft tissue and to create a space for guiding new bone growth into the bone defect. Herein, we report a novel functionally graded bilayer membrane (FGBM) for GBR application. To fabricate the novel membrane, the composites of poly(lactic-co-glycolic acid) and nano-hydroxyapatite were prepared by phase inversion for the dense layer and by electrospinning for another porous layer, and their corresponding properties were evaluated including surface morphology, mechanics, degradability, cell barrier function, and in vitro osteogenic bioactivity. The results showed that PLGA with 5% nHA in dense layer could meet the requirement of mechanical strength and have excellent barrier function even on condition of post-degradation. Furthermore, PLGA with 30% nHA in porous layer could achieve the good physical and chemical properties. In addition, 30% nHA incorporation would enhance the in vitro mineralization, and have superior capabilities of cell adhesion, proliferation and differentiation compared to other groups. Therefore, the designed FGBM could potentially serve as a barrier for preferential tissue ingrowth and achieve a desirable therapeutic result for bone tissue regeneration. PMID:28772618

The Relationship Between Body Image and Domains of Sexual Functioning Among Heterosexual, Emerging Adult Women.

PubMed

Quinn-Nilas, Christopher; Benson, Lindsay; Milhausen, Robin R; Buchholz, Andrea C; Goncalves, Melissa

2016-09-01

Research suggests that body image affects sexual functioning, but the relationship between specific types of body image (evaluative, affective, and behavioral) and domains of sexual functioning (desire, arousal, and orgasm) has not been investigated. To determine whether, and to what degree, body image concerns (evaluative, affective, and behavioral) influence aspects of women's sexual functioning (desire, arousal, and orgasm). Eighty-eight sexually active women in heterosexual romantic relationships completed surveys assessing evaluative, affective, and behavioral body image and sexual functioning. Body composition data also were collected using dual energy x-ray absorptiometry. Sexual functioning was assessed using the desire, arousal, and orgasm subscales of the Female Sexual Functioning Index. Hierarchical multiple regression analysis indicated that poor evaluative, affective, and behavioral body image were detrimental to women's sexual functioning. Specifically, dissatisfaction with one's body predicted decrements in desire (β = -0.31, P < .05) and arousal (β = -0.35, P < .01). Similarly, feeling that others evaluate one's body negatively predicted decrements in desire (β = 0.22, P < .05) and arousal (β = 0.35, P < .01). Feeling negatively about one's appearance predicted decrements in arousal (β = 0.26, P < .05). Negative thoughts and feelings about one's body during a sexual encounter (body image self-consciousness) predicted decrements in arousal (β = -0.37, P < .01) and orgasm (β = -0.25, P < .05). Findings from this study suggest important linkages between body image and sexual functioning constructs and indicates that interventions to improve body image could have concomitant benefits related to sexual experience. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Cottonseed protein derivatives as nutritional and functional supplements in food formulations.

PubMed

Cherry, J P; Berardi, L C; Zarins, Z M; Wadsworth, J I; Vinnett, C H

1978-01-01

Cottonseeds contain protein with desirable food functional and nutritional properties. Storage globulins make up most of the protein stored in cottonseed and can be separated into five fractions by gel filtration chromatography. Each fraction is distinguishable from the other by its amino acid and polyacrylamide gel electrophoretic properties. Proteins of cottonseed contribute greatly to the functional properties of emulsions, co-isolates, and texturized derivatives. For example, increasing the amount of high protein cottonseed flour in wheat suspensions from 2% to 10% improved the capacity (54-97 ml of oil) and viscosity (5,000-100,000+ cps) of emulsions. The 10% suspension formed emulsions with increasing oil capacity (84-100 ml) and viscosity (28,000-100,000+ cps) as the pH was adjusted from 4.5 to 9.5. Consistencies of the products ranged from that of salad dressing (low percent suspensions, or acid pH) to that of mayonnaise (high percent, or basic pH). These data were utilized to derive a multiple regression model to predict optimum use of cottonseed proteins in emulsions of varying consistencies. A coprecipitated isolate containing greater than 94% protein was prepared from a blend of cottonseed and peanut flours. Amino acid content of the co-isolate reflected that of the protein in the two flours of the composite. The co-isolate has lower gossypol level and improved color and functional properties than a cottonseed protein isolate. Storage protein isolate of cottonseed suspended in aqueous solution and heated with constant stirring forms a texturized product; the quality of the product depends on heat, pH, salt, and the quantity of nonstorage proteins. Protein and amino acid content of meat products were improved by the addition of the texturized protein of cottonseed.

Carbon-based layer-by-layer nanostructures: from films to hollow capsules

NASA Astrophysics Data System (ADS)

Hong, Jinkee; Han, Jung Yeon; Yoon, Hyunsik; Joo, Piljae; Lee, Taemin; Seo, Eunyong; Char, Kookheon; Kim, Byeong-Su

2011-11-01

Over the past years, the layer-by-layer (LbL) assembly has been widely developed as one of the most powerful techniques to prepare multifunctional films with desired functions, structures and morphologies because of its versatility in the process steps in both material and substrate choices. Among various functional nanoscale objects, carbon-based nanomaterials, such as carbon nanotubes and graphene sheets, are promising candidates for emerging science and technology with their unique physical, chemical, and mechanical properties. In particular, carbon-based functional multilayer coatings based on the LbL assembly are currently being actively pursued as conducting electrodes, batteries, solar cells, supercapacitors, fuel cells and sensor applications. In this article, we give an overview on the use of carbon materials in nanostructured films and capsules prepared by the LbL assembly with the aim of unraveling the unique features and their applications of carbon multilayers prepared by the LbL assembly.

Lipoic acid functionalized SiO2@Ag nanoparticles. Synthesis, characterization and evaluation of biological activity.

PubMed

Tudose, Madalina; Culita, Daniela Cristina; Musuc, Adina Magdalena; Somacescu, Simona; Ghica, Cornel; Chifiriuc, Mariana Carmen; Bleotu, Coralia

2017-10-01

A novel nanocomposite was obtained through the covalent immobilization of lipoic acid on the surface of silver nanoparticles-decorated silica nanoparticles (SiO 2 @Ag). The hybrid organic - inorganic material obtained was characterized by Fourier transform infrared spectroscopy, thermal analysis, scanning and transmision electron microscopy, X-ray photoelectron spectroscopy and UV-Visible spectroscopy. Its antioxidant, cytotoxic, antimicrobial activity and influence on mammalian cells cycle were evaluated. The results of this study have shown that the functionalization of SiO 2 @Ag with lipoic acid resulted in a composite with increased specificity of interaction with different mammalian cell lines and antioxidant activity, but with decreased cytotoxicity and antimicrobial properties. Therefore, the SiO 2 @Ag functionalized with lipoic acid could be successfully used in certain concentrations to modulate the cell cycle, in order to obtain the desired anti-proliferative or stimulatory therapeutic effect. Copyright © 2017 Elsevier B.V. All rights reserved.

High-precision, large-domain three-dimensional manipulation of nano-materials for fabrication nanodevices

PubMed Central

2011-01-01

Nanoscaled materials are attractive building blocks for hierarchical assembly of functional nanodevices, which exhibit diverse performances and simultaneous functions. We innovatively fabricated semiconductor nano-probes of tapered ZnS nanowires through melting and solidifying by electro-thermal process; and then, as-prepared nano-probes can manipulate nanomaterials including semiconductor/metal nanowires and nanoparticles through sufficiently electrostatic force to the desired location without structurally and functionally damage. With some advantages of high precision and large domain, we can move and position and interconnect individual nanowires for contracting nanodevices. Interestingly, by the manipulating technique, the nanodevice made of three vertically interconnecting nanowires, i.e., diode, was realized and showed an excellent electrical property. This technique may be useful to fabricate electronic devices based on the nanowires' moving, positioning, and interconnecting and may overcome fundamental limitations of conventional mechanical fabrication. PMID:21794151

Postsynthetic Tuning of Metal-Organic Frameworks for Targeted Applications.

PubMed

Islamoglu, Timur; Goswami, Subhadip; Li, Zhanyong; Howarth, Ashlee J; Farha, Omar K; Hupp, Joseph T

2017-04-18

Metal-organic frameworks (MOFs) are periodic, hybrid, atomically well-defined porous materials that typically form by self-assembly and consist of inorganic nodes (metal ions or clusters) and multitopic organic linkers. MOFs as a whole offer many intriguing properties, including ultrahigh porosity, tunable chemical functionality, and low density. These properties point to numerous potential applications, including gas storage, chemical separations, catalysis, light harvesting, and chemical sensing, to name a few. Reticular chemistry, or the linking of molecular building blocks into predetermined network structures, has been employed to synthesize thousands of MOFs. Given the vast library of candidate nodes and linkers, the number of potentially synthetically accessible MOFs is enormous. Nevertheless, a powerful complementary approach to obtain specific structures with desired chemical functionality is to modify known MOFs after synthesis. This approach is particularly useful when incorporation of particular chemical functionalities via direct synthesis is challenging or impossible. The challenges may stem from limited stability or solubility of precursors, unwanted secondary reactivity of precursors, or incompatibility of functional groups with the conditions needed for direct synthesis. MOFs can be postsynthetically modified by replacing the metal nodes and/or organic linkers or via functionalization of the metal nodes and/or organic linkers. Here we describe some of our efforts toward the development and application of postsynthetic strategies for imparting desired chemical functionalities in MOFs of known topology. The techniques include methods for functionalizing MOF nodes, i.e., solvent-assisted ligand incorporation (SALI) and atomic layer deposition in MOFs (AIM) as well as a method to replace structural linkers, termed solvent-assisted linker exchange (SALE), also known as postsynthethic exchange (PSE). For each functionalization strategy, we first describe its chemical basis along with the requirements for its successful implementation. We then present a small number of examples, with an emphasis on those that (a) convey the underlying concepts and/or (b) lead to functional structures (e.g., catalysts) that would be difficult or impossible to access via direct routes. The examples, however, are only illustrative, and a significant body of work exists from both our lab and others, especially for the SALE/PSE strategy. We refer readers to the papers cited and to the references therein. More exciting, in our view, will be new examples and new applications of the functionalization strategies-especially applications made possible by creatively combining the strategies. Underexplored (again, in our view) are implementations that impart electrical conductivity, enable increasingly selective chemical sensing, or facilitate cascade catalysis. It will be interesting to see where these strategies and others take this compelling field over the next few years.

Novel functional materials from renewable lipids: Amphiphilic antimicrobial polymers and latent heat thermal energy storage

NASA Astrophysics Data System (ADS)

Floros, Michael Christopher

Vegetable oils represent an ideal and renewable feedstock for the synthesis of a variety of functional materials. However, without financial incentive or unique applications motivating a switch, commercial products continue to be manufactured from petrochemical resources. Two different families of high value, functional materials synthesized from vegetable oils were studied. These materials demonstrate superior and unique performance to comparable petrochemical analogues currently on the market. In the first approach, 3 amphiphilic thermoplastic polytriazoles with differing lipophilic segment lengths were synthesized in a polymerization process without solvents or catalysts. Investigation of monomer structure influence on the resultant functional behaviour of these polymers found distinctive odd/even behaviour reliant on the number of carbon atoms in the monomers. Higher concentrations of triazole groups, due to shorter CH2 chains in the monomeric dialkynes, resulted in more brittle polymers, displaying higher tensile strengths but reduced elongation to break characteristics. These polymers had similar properties to commercial petroleum derived thermoplastics. One polymer demonstrated self-assembled surface microstructuring, and displayed hydrophobic properties. Antimicrobial efficacy of the polymers were tested by applying concentrated bacterial solutions to the surfaces, and near complete inhibition was demonstrated after 4 hours. Scanning electron microscope images of killed bacteria showed extensive membrane damage, consistent with the observed impact of other amphiphilic compounds in literature. These polytriazoles are suited for applications in medical devices and implants, where major concerns over antibiotic resistance are prevalent. In the second approach, a series of symmetric, saturated diester phase change materials (PCMs) were also synthesized with superior latent heat values compared to commercial petrochemical analogues. These diesters exhibit melting temperatures between 39 °C and 77 °C, with latent heats greater than 220 J/g; much greater than paraffin waxes, which are currently the industry standard. Assessment of the trends between differing monomer lengths, in terms of number of CH2 groups of the 24 diesters synthesized exhibited structure/function dependencies in latent heat values and phase change temperatures, providing an understanding of the influence of each monomer on PCM thermal properties. A synthetic procedure was developed to produce these PCMs from a low value biodiesel feedstock. Application of these PCMs in the thermoregulation of hot beverages was demonstrated using a representative diester. This PCM cooled a freshly brewed hot beverage to a desired temperature within 1 minute, compared to 18 minutes required for the control. Furthermore, the PCM kept the beverage within the desired temperature range for 235 minutes, 40 % longer than the control.

Life is 3D: Boosting Spheroid Function for Tissue Engineering.

PubMed

Laschke, Matthias W; Menger, Michael D

2017-02-01

Spheroids provide a 3D environment with intensive cell-cell contacts. As a result of their excellent regenerative properties and rapid progress in their high-throughput production, spheroids are increasingly suggested as building blocks for tissue engineering. In this review, we focus on innovative biotechnological approaches that increase the quality of spheroids for this specific type of application. These include in particular the fabrication of coculture spheroids, mimicking the complex morphology and physiological tasks of natural tissues. In vitro preconditioning under different culture conditions and incorporation of biomaterials improve the function of spheroids and their directed fusion into macrotissues of desired shapes. The continuous development of these sophisticated approaches may markedly contribute to a broad implementation of spheroid-based tissue engineering in future regenerative medicine. Copyright © 2016 Elsevier Ltd. All rights reserved.

Polymer Brushes as Functional, Patterned Surfaces for Nanobiotechnology.

PubMed

Welch, M Elizabeth; Xu, Youyong; Chen, Hongjun; Smith, Norah; Tague, Michele E; Abruña, Héctor D; Baird, Barbara; Ober, Christopher K

2013-01-01

Polymer brushes have many desirable characteristics such as the ability to tether molecules to a substrate or change the properties of a surface. Patterning of polymer films has been an area of great interest due to the broad range of applications including bio-related and medicinal research. Consequently, we have investigated patterning techniques for polymer brushes which allow for two different functionalities on the same surface. This method has been applied to a biosensor device which requires both polymer brushes and a photosensitizer to be polymerized on a patterned gold substrate. Additionally, the nature of patterned polymer brushes as removable thin films was explored. An etching process has enabled us to lift off very thin membranes for further characterization with the potential of using them as Janus membranes for biological applications.

Application of ionic liquid in liquid phase microextraction technology.

PubMed

Han, Dandan; Tang, Baokun; Lee, Yu Ri; Row, Kyung Ho

2012-11-01

Ionic liquids (ILs) are novel nonmolecular solvents. Their unique properties, such as high thermal stability, tunable viscosity, negligible vapor pressure, nonflammability, and good solubility for inorganic and organic compounds, make them excellent candidates as extraction media for a range of microextraction techniques. Many physical properties of ILs can be varied, and the structural design can be tuned to impart the desired functionality and enhance the analyte extraction selectivity, efficiency, and sensitivity. This paper provides an overview of the applications of ILs in liquid phase microextraction technology, such as single-drop microextraction, hollow fiber based liquid phase microextraction, and dispersive liquid-liquid microextraction. The sensitivity, linear calibration range, and detection limits for a range of target analytes in the methods were analyzed to determine the advantages of ILs in liquid phase microextraction. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches.

PubMed

Ertl, P

1998-02-01

Easy to use, interactive, and platform-independent WWW-based tools are ideal for development of chemical applications. By using the newly emerging Web technologies such as Java applets and sophisticated scripting, it is possible to deliver powerful molecular processing capabilities directly to the desk of synthetic organic chemists. In Novartis Crop Protection in Basel, a Web-based molecular modelling system has been in use since 1995. In this article two new modules of this system are presented: a program for interactive calculation of important hydrophobic, electronic, and steric properties of organic substituents, and a module for substituent similarity searches enabling the identification of bioisosteric functional groups. Various possible applications of calculated substituent parameters are also discussed, including automatic design of molecules with the desired properties and creation of targeted virtual combinatorial libraries.

Development of a Probabilistic Component Mode Synthesis Method for the Analysis of Non-Deterministic Substructures

NASA Technical Reports Server (NTRS)

Brown, Andrew M.; Ferri, Aldo A.

1995-01-01

Standard methods of structural dynamic analysis assume that the structural characteristics are deterministic. Recognizing that these characteristics are actually statistical in nature, researchers have recently developed a variety of methods that use this information to determine probabilities of a desired response characteristic, such as natural frequency, without using expensive Monte Carlo simulations. One of the problems in these methods is correctly identifying the statistical properties of primitive variables such as geometry, stiffness, and mass. This paper presents a method where the measured dynamic properties of substructures are used instead as the random variables. The residual flexibility method of component mode synthesis is combined with the probabilistic methods to determine the cumulative distribution function of the system eigenvalues. A simple cantilever beam test problem is presented that illustrates the theory.

Clinical and biopsychosocial determinants of sexual dysfunction in middle-aged and older Australian men.

PubMed

Martin, Sean; Atlantis, Evan; Wilson, David; Lange, Kylie; Haren, Matthew T; Taylor, Anne; Wittert, Gary

2012-08-01

Erectile dysfunction (ED) and other related sexual dysfunctions in men have recently been shown to associate with a range of conditions and biopsychosocial factors. However, few studies have been able to control for these related factors simultaneously. To determine the prevalence of and associated risk factors for ED and low solitary and dyadic sexual desire. Erectile function (International Index of Erectile Function-erectile function) and sexual desire (Sexual Desire Inventory 2), as well as associated sociodemographic, lifestyle, biological, and clinical risk factors. Data were collected from 1,195 randomly selected, community-dwelling men as part of the Florey Adelaide Male Ageing Study. The prevalence of ED, low solitary, and dyadic sexual desire was 17.7%, 67.7%, and 13.5%, respectively. Increasing age, abdominal fat mass, obstructive sleep apnea risk, and the absence of a regular partner were associated with both degrees of ED severity. Insufficient physical activity, low alcohol consumption, and hypertension were associated with mild ED only, and voiding lower urinary tract symptoms, diabetes, and lower plasma testosterone were independently associated with moderate to severe ED. Increasing age, lower alcohol consumption, insufficient physical activity, and a diagnosis of depression, anxiety, or insomnia were associated with both low dyadic and solitary sexual desire. Postschool qualifications and lower plasma testosterone were associated with low dyadic desire, whereas lower education and income, unemployment, and migration were associated with low solitary sexual desire. The absence of a regular partner and postschool qualifications were associated with higher solitary sexual desire. While ED and low dyadic and solitary sexual desire share some risk factors, we were able to demonstrate that unique factors exist for each of these domains. Attention should first be given to addressing these modifiable risk factors. © 2012 International Society for Sexual Medicine.

Thermal remediation alters soil properties - a review.

PubMed

O'Brien, Peter L; DeSutter, Thomas M; Casey, Francis X M; Khan, Eakalak; Wick, Abbey F

2018-01-15

Contaminated soils pose a risk to human and ecological health, and thermal remediation is an efficient and reliable way to reduce soil contaminant concentration in a range of situations. A primary benefit of thermal treatment is the speed at which remediation can occur, allowing the return of treated soils to a desired land use as quickly as possible. However, this treatment also alters many soil properties that affect the capacity of the soil to function. While extensive research addresses contaminant reduction, the range and magnitude of effects to soil properties have not been explored. Understanding the effects of thermal remediation on soil properties is vital to successful reclamation, as drastic effects may preclude certain post-treatment land uses. This review highlights thermal remediation studies that have quantified alterations to soil properties, and it supplements that information with laboratory heating studies to further elucidate the effects of thermal treatment of soil. Notably, both heating temperature and heating time affect i) soil organic matter; ii) soil texture and mineralogy; iii) soil pH; iv) plant available nutrients and heavy metals; v) soil biological communities; and iv) the ability of the soil to sustain vegetation. Broadly, increasing either temperature or time results in greater contaminant reduction efficiency, but it also causes more severe impacts to soil characteristics. Thus, project managers must balance the need for contaminant reduction with the deterioration of soil function for each specific remediation project. Copyright © 2017 Elsevier Ltd. All rights reserved.

Starch--value addition by modification.

PubMed

Tharanathan, Rudrapatnam N

2005-01-01

Starch is one of the most important but flexible food ingredients possessing value added attributes for innumerable industrial applications. Its various chemically modified derivatives offer a great scope of high technological value in both food and non-food industries. Modified starches are designed to overcome one or more of the shortcomings, such as loss of viscosity and thickening power upon cooking and storage, particularly at low pH, retrogradation characteristics, syneresis, etc., of native starches. Oxidation, esterification, hydroxyalkylation, dextrinization, and cross-linking are some of the modifications commonly employed to prepare starch derivatives. In a way, starch modification provides desirable functional attributes as well as offering economic alternative to other hydrocolloid ingredients, such as gums and mucilages, which are unreliable in quality and availability. Resistant starch, a highly retrograded starch fractionformed upon food processing, is another useful starch derivative. It exhibits the beneficial physiological effects of therapeutic and nutritional values akin to dietary fiber. There awaits considerable opportunity for future developments, especially for tailor-made starch derivatives with multiple modifications and with the desired functional and nutritional properties, although the problem of obtaining legislative approval for the use of novel starch derivatives in processed food formulations is still under debate. Nevertheless, it can be predicted that new ventures in starch modifications and their diverse applications will continue to be of great interest in applied research.

DFT application for chlorin derivatives photosensitizer drugs modeling

NASA Astrophysics Data System (ADS)

Machado, Neila; Carvalho, B. G.; Téllez Soto, C. A.; Martin, A. A.; Favero, P. P.

2018-04-01

Photodynamic therapy is an alternative form of cancer treatment that meets the desire for a less aggressive approach to the body. It is based on the interaction between a photosensitizer, activating light, and molecular oxygen. This interaction results in a cascade of reactions that leads to localized cell death. Many studies have been conducted to discover an ideal photosensitizer, which aggregates all the desirable characteristics of a potent cell killer and generates minimal side effects. Using Density Functional Theory (DFT) implemented in the program Vienna Ab-initio Simulation Package, new chlorin derivatives with different functional groups were simulated to evaluate the different absorption wavelengths to permit resonant absorption with the incident laser. Gaussian 09 program was used to determine vibrational wave numbers and Natural Bond Orbitals. The chosen drug with the best characteristics for the photosensitizer was a modified model of the original chlorin, which was called as Thiol chlorin. According to our calculations it is stable and is 19.6% more efficient at optical absorption in 708 nm in comparison to the conventional chlorin e6. Vibrational modes, optical and electronic properties were predicted. In conclusion, this study is an attempt to improve the development of new photosensitizer drugs through computational methods that save time and contribute to decrease the numbers of animals for model application.

OPC and PSM design using inverse lithography: a nonlinear optimization approach

NASA Astrophysics Data System (ADS)

Poonawala, Amyn; Milanfar, Peyman

2006-03-01

We propose a novel method for the fast synthesis of low complexity model-based optical proximity correction (OPC) and phase shift masks (PSM) to improve the resolution and pattern fidelity of optical microlithography. We use the pixel-based mask representation, a continuous function formulation, and gradient based iterative optimization techniques to solve the above inverse problem. The continuous function formulation allows analytic calculation of the gradient. Pixel-based parametrization provides tremendous liberty in terms of the features possible in the synthesized masks, but also suffers the inherent disadvantage that the masks are very complex and difficult to manufacture. We therefore introduce the regularization framework; a useful tool which provides the flexibility to promote certain desirable properties in the solution. We employ the above framework to ensure that the estimated masks have only two or three (allowable) transmission values and are also comparatively simple and easy to manufacture. The results demonstrate that we are able to bring the CD on target using OPC masks. Furthermore, we were also able to boost the contrast of the aerial image using attenuated, strong, and 100% transmission phase shift masks. Our algorithm automatically (and optimally) adds assist-bars, dog-ears, serifs, anti-serifs, and other custom structures best suited for printing the desired pattern.

Dual functional porous anti-reflective coatings with a photocatalytic effect based on a single layer system

NASA Astrophysics Data System (ADS)

Jilavi, M. H.; Mousavi, S. H.; Müller, T. S.; de Oliveira, P. W.

2018-05-01

Anti-reflection and photocatalytic properties are desirable for improving the optical properties of electronic devices. We describe a method of fabrication a single-layer, anti-reflective (AR) thin film with an additional photocatalytic property. The layer is deposited on glass substrates by means of a low-cost dip-coating method using a SiO2-TiO2 solution. A comparative study was undertaken to investigate the effects of TiO2 concentrations on the photocatalytic properties of the film and to determine the optimal balance between transmittance and photocatalysis. The average transmittance increases from T = 90.51% to T = 95.46 ± 0.07% for the wavelengths between 380 and 1200 nm. The structural characterization indicated the formation of thin, porous SiO2-TiO2 films with a roughness of less than 7.5 nm. The quality of the samples was evaluated by a complete test program of the mechanical, chemical and accelerated weathering stability. This results open up new possibilities for cost-effective AR coatings for the glass and solar cell industries.

Engineering CNDP's of dendrimers containing phosphorous interior compositions to produce new emerging properties

NASA Astrophysics Data System (ADS)

Caminade, Anne-Marie; Majoral, Jean-Pierre

2018-03-01

Phosphorus-containing dendrimers are defined as dendrimers having at least one phosphorus atom at each branching point. In this review, we will show how phosphorhydrazone dendrimers can be modified at will at the level of the core and of the branches, to afford specific properties, such as fluorescence to image biological events. Accelerated methods of synthesis of phosphorus (one step for one generation) will be also displayed, as well as the specific reactivity of P=N-P=S linkages obtained in most of these accelerated method of synthesis, which has led to particularly original dendritic architectures, such as dendrons included in dendrimers. Finally, we will display how modifications of the internal structure of a series of dendrimers having the same type and number of terminal functions can deeply modify their biological anti-inflammatory properties. Among the six critical nanoscale design parameters (CNDP), we will show how two of them, i.e., architecture and elemental composition, have been particularly engineered to modify phosphorus-containing dendrimers, in order to fulfill the desired properties.

Unsaponifiable matter from oil of green coffee beans: cosmetic properties and safety evaluation.

PubMed

Wagemaker, Tais A L; Campos, Patrícia M B G Maia; Fernandes, Ana Sofia; Rijo, Patrícia; Nicolai, Marisa; Roberto, Amílcar; Rosado, Catarina; Reis, Catarina; Rodrigues, Luis M; Carvalho, Cássia Regina Limonta; Maia, Nilson Borlina; Guerreiro Filho, Oliveiro

2016-10-01

Unsaponifiable matter (UM), a fraction of green coffee oil (GCO) contains functional compounds responsible for desirable cosmetic properties such as UV-B absorption. To evaluate oil content and sun protection factor (SPF) variability of the two most important species of coffee and, the toxic and cytotoxic effects, as well as cosmetic properties, including antioxidant and antimicrobial activities of UM obtained from green Coffea arabica seed oil. The safety and potential cosmetic properties of UM extracted from green coffee oil (GCO) were evaluated by the brine shrimp viability and the MTT cytotoxicity assays. The SPF and antioxidant activity were evaluated using in vitro methods. Relevant cytotoxicity was found against keratinocytes for concentrations ≥25 µg/mL and in the brine shrimp assay (LC50 24 µg/mL). Antimicrobial and antioxidant activities (IC50 1448 µg/mL) were low in UM but SPF was 10 times higher than in GCO. UM is a novel potential UV-B absorbent but its use as a cosmetic ingredient should be better considered due to the considerable cytotoxicity shown in the experimental conditions described.

Optimization of factors to obtain cassava starch films with improved mechanical properties

NASA Astrophysics Data System (ADS)

Monteiro, Mayra; Oliveira, Victor; Santos, Francisco; Barros Neto, Eduardo; Silva, Karyn; Silva, Rayane; Henrique, João; Chibério, Abimaelle

2017-08-01

In this study, was investigated the optimization of the factors that significantly influenced the mechanical property improvement of cassava starch films through complete factorial design 23. The factors to be analyzed were cassava starch, glycerol and modified clay contents. A regression model was proposed by the factorial analysis, aiming to estimate the condition of the individual factors investigated in the optimum state of the mechanical properties of the biofilm, using the following statistical tool: desirability function and response surface. The response variable that delimits the improvement of the mechanical property of the biofilm is the tensile strength, such improvement is obtained by maximizing the response variable. The factorial analysis showed that the best combination of factor configurations to reach the best response was found to be: with 5g of cassava starch, 10% of glycerol and 5% of modified clay, both percentages in relation to the dry mass of starch used. In addition, the starch biofilm showing the lowest response contained 2g of cassava starch, 0% of modified clay and 30% of glycerol, and was consequently considered the worst biofilm.

Creation of economical and robust large area MCPs by ALD method for photodetectors

NASA Astrophysics Data System (ADS)

Mane, Anil U.; Elam, Jeffrey W.; Wagner, Robert G.; Siegmund, Oswald H. W.; Minot, Michael J.

2016-09-01

We report a cost-effective and production achievable path to fabricate robust large-area microchannel plates (MCPs), which offers the new prospect for larger area MCP-based detector technologies. We used atomic Layer Deposition (ALD), a thin film growth technique, to independently adjust the desired electrical resistance and secondary electron emission (SEE) properties of low cost borosilicate glass micro-capillary arrays (MCAs). These capabilities allow a separation of the substrate material properties from the signal amplification properties. This methodology enables the functionalization of microporous, highly insulating MCA substrates to produce sturdy, large format MCPs with unique properties such as high gain (<107/MCP pair), low background noise, 10ps time resolution, sub-micron spatial resolution and excellent stability after only a short (2-3days) scrubbing time. The ALD self-limiting growth mechanism allows atomic level control over the thickness and composition of resistive and secondary electron emission (SEE) layers that can be deposited conformally on high aspect ratio ( 100) capillary glass arrays. We have developed several robust and consistent production doable ALD processes for the resistive coatings and SEE layers to give us precise control over the MCP parameters. Further, the adjustment of MCPs resistance by tailoring the ALD material composition permits the use of these MCPs at high or low temperature detector applications. Here we discuss ALD method for MCP functionalization and a variety of MCP testing results.

On the spin separation of algebraic two-component relativistic Hamiltonians: Molecular properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhendong; Xiao, Yunlong; Liu, Wenjian, E-mail: liuwjbdf@gmail.com

2014-08-07

The idea for separating the algebraic exact two-component (X2C) relativistic Hamiltonians into spin-free (sf) and spin-dependent terms [Z. Li, Y. Xiao, and W. Liu, J. Chem. Phys. 137, 154114 (2012)] is extended to both electric and magnetic molecular properties. Taking the spin-free terms (which are correct to infinite order in α ≈ 1/137) as zeroth order, the spin-dependent terms can be treated to any desired order via analytic derivative technique. This is further facilitated by unified Sylvester equations for the response of the decoupling and renormalization matrices to single or multiple perturbations. For practical purposes, explicit expressions of order α{supmore » 2} in spin are also given for electric and magnetic properties, as well as two-electron spin-orbit couplings. At this order, the response of the decoupling and renormalization matrices is not required, such that the expressions are very compact and completely parallel to those based on the Breit-Pauli (BP) Hamiltonian. However, the former employ sf-X2C wave functions, whereas the latter can only use nonrelativistic wave functions. As the sf-X2C terms can readily be interfaced with any nonrelativistic program, the implementation of the O(α{sup 2}) spin-orbit corrections to sf-X2C properties requires only marginal revisions of the routines for evaluating the BP type of corrections.« less

On the spin separation of algebraic two-component relativistic Hamiltonians: Molecular properties

NASA Astrophysics Data System (ADS)

Li, Zhendong; Xiao, Yunlong; Liu, Wenjian

2014-08-01

The idea for separating the algebraic exact two-component (X2C) relativistic Hamiltonians into spin-free (sf) and spin-dependent terms [Z. Li, Y. Xiao, and W. Liu, J. Chem. Phys. 137, 154114 (2012)] is extended to both electric and magnetic molecular properties. Taking the spin-free terms (which are correct to infinite order in α ≈ 1/137) as zeroth order, the spin-dependent terms can be treated to any desired order via analytic derivative technique. This is further facilitated by unified Sylvester equations for the response of the decoupling and renormalization matrices to single or multiple perturbations. For practical purposes, explicit expressions of order α2 in spin are also given for electric and magnetic properties, as well as two-electron spin-orbit couplings. At this order, the response of the decoupling and renormalization matrices is not required, such that the expressions are very compact and completely parallel to those based on the Breit-Pauli (BP) Hamiltonian. However, the former employ sf-X2C wave functions, whereas the latter can only use nonrelativistic wave functions. As the sf-X2C terms can readily be interfaced with any nonrelativistic program, the implementation of the O(α ^2) spin-orbit corrections to sf-X2C properties requires only marginal revisions of the routines for evaluating the BP type of corrections.

Hybrid feedback feedforward: An efficient design of adaptive neural network control.

PubMed

Pan, Yongping; Liu, Yiqi; Xu, Bin; Yu, Haoyong

2016-04-01

This paper presents an efficient hybrid feedback feedforward (HFF) adaptive approximation-based control (AAC) strategy for a class of uncertain Euler-Lagrange systems. The control structure includes a proportional-derivative (PD) control term in the feedback loop and a radial-basis-function (RBF) neural network (NN) in the feedforward loop, which mimics the human motor learning control mechanism. At the presence of discontinuous friction, a sigmoid-jump-function NN is incorporated to improve control performance. The major difference of the proposed HFF-AAC design from the traditional feedback AAC (FB-AAC) design is that only desired outputs, rather than both tracking errors and desired outputs, are applied as RBF-NN inputs. Yet, such a slight modification leads to several attractive properties of HFF-AAC, including the convenient choice of an approximation domain, the decrease of the number of RBF-NN inputs, and semiglobal practical asymptotic stability dominated by control gains. Compared with previous HFF-AAC approaches, the proposed approach possesses the following two distinctive features: (i) all above attractive properties are achieved by a much simpler control scheme; (ii) the bounds of plant uncertainties are not required to be known. Consequently, the proposed approach guarantees a minimum configuration of the control structure and a minimum requirement of plant knowledge for the AAC design, which leads to a sharp decrease of implementation cost in terms of hardware selection, algorithm realization and system debugging. Simulation results have demonstrated that the proposed HFF-AAC can perform as good as or even better than the traditional FB-AAC under much simpler control synthesis and much lower computational cost. Copyright © 2015 Elsevier Ltd. All rights reserved.

Atomic Layer Deposition in Bio-Nanotechnology: A Brief Overview.

PubMed

Bishal, Arghya K; Butt, Arman; Selvaraj, Sathees K; Joshi, Bela; Patel, Sweetu B; Huang, Su; Yang, Bin; Shukohfar, Tolou; Sukotjo, Cortino; Takoudis, Christos G

2015-01-01

Atomic layer deposition (ALD) is a technique increasingly used in nanotechnology and ultrathin film deposition; it is ideal for films in the nanometer and Angstrom length scales. ALD can effectively be used to modify the surface chemistry and functionalization of engineering-related and biologically important surfaces. It can also be used to alter the mechanical, electrical, chemical, and other properties of materials that are increasingly used in biomedical engineering and biological sciences. ALD is a relatively new technique for optimizing materials for use in bio-nanotechnology. Here, after a brief review of the more widely used modes of ALD and a few of its applications in biotechnology, selected results that show the potential of ALD in bio-nanotechnology are presented. ALD seems to be a promising means for tuning the hydrophilicity/hydrophobicity characteristics of biomedical surfaces, forming conformal ultrathin coatings with desirable properties on biomedical substrates with a high aspect ratio, tuning the antibacterial properties of substrate surfaces of interest, and yielding multifunctional biomaterials for medical implants and other devices.

Synthesis and structure-activity relationships of novel cationic lipids with anti-inflammatory and antimicrobial activities.

PubMed

Myint, Melissa; Bucki, Robert; Janmey, Paul A; Diamond, Scott L

2015-07-15

Certain membrane-active cationic steroids are known to also possess both anti-inflammatory and antimicrobial properties. This combined functionality is particularly relevant for potential therapies of infections associated with elevated tissue damage, for example, cystic fibrosis airway disease, a condition characterized by chronic bacterial infections and ongoing inflammation. In this study, six novel cationic glucocorticoids were synthesized using beclomethasone, budesonide, and flumethasone. Products were either monosubstituted or disubstituted, containing one or two steroidal groups, respectively. In vitro evaluation of biological activities demonstrated dual anti-inflammatory and antimicrobial properties with limited cytotoxicity for all synthesized compounds. Budesonide-derived compounds showed the highest degree of both glucocorticoid and antimicrobial properties within their respective mono- and disubstituted categories. Structure-activity analyses revealed that activity was generally related to the potency of the parent glucocorticoid. Taken together, these data indicate that these types of dual acting cationic lipids can be synthesized with the appropriate starting steroid to tailor activities as desired. Copyright © 2015 Elsevier Ltd. All rights reserved.

Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki

We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

Valence-band electronic structure evolution of graphene oxide upon thermal annealing for optoelectronics

DOE PAGES

Yamaguchi, Hisato; Ogawa, Shuichi; Watanabe, Daiki; ...

2016-09-01

We report valence band electronic structure evolution of graphene oxide (GO) upon its thermal reduction. Degree of oxygen functionalization was controlled by annealing temperatures, and an electronic structure evolution was monitored using real-time ultraviolet photoelectron spectroscopy. We observed a drastic increase in density of states around the Fermi level upon thermal annealing at ~600 °C. The result indicates that while there is an apparent band gap for GO prior to a thermal reduction, the gap closes after an annealing around that temperature. This trend of band gap closure was correlated with electrical, chemical, and structural properties to determine a setmore » of GO material properties that is optimal for optoelectronics. The results revealed that annealing at a temperature of ~500 °C leads to the desired properties, demonstrated by a uniform and an order of magnitude enhanced photocurrent map of an individual GO sheet compared to as-synthesized counterpart.« less

Unraveling the Dynamics of Aminopolymer/Silica Composites

DOE PAGES

Carrillo, Jan-Michael Y.; Sakwa-Novak, Miles A.; Holewinski, Adam; ...

2016-02-25

Branched poly(ethylenimine) (PEI) encapsulated within mesoporous silica (SBA-15), has proven to be an eective sorbent for developing carbon capture technologies. However, the structure-property correlations which govern their adsorptive properties is not well understood. By combining coarse-grained molecular dynamics simulations and neutron scattering experiments we are able to construct, and validate, a detailed model of the dynamics and morphology of the conned polymer within the mesoporous support. By varying the simulation properties we are able to probe, for the rst time, the direct relationship between the structure of the polymer and the non-monotonic dynamics of the polymer as a function ofmore » monomer concentration within an adsorbing cylindrical pore. Overall the simulation results are in good agreement with quasi-elastic neutron scattering (QENS) studies, suggesting an approach that can be a useful guide for understanding how to tune porous polymer composites for enhancing desired dynamical and structural behavior targeting enhanced carbon dioxide adsorption.« less

Magnetic, structural and magnetocaloric properties of Ni-Si and Ni-Al thermoseeds for self-controlled hyperthermia.

PubMed

Pandey, Sudip; Quetz, Abdiel; Aryal, Anil; Dubenko, Igor; Mazumdar, Dipanjan; Stadler, Shane; Ali, Naushad

2017-11-01

Self-controlled hyperthermia is a non-invasive technique used to kill or destroy cancer cells while preserving normal surrounding tissues. We have explored bulk magnetic Ni-Si and Ni-Al alloys as a potential thermoseeds. The structural, magnetic and magnetocaloric properties of the samples were investigated, including saturation magnetisation, Curie temperature (T C ), and magnetic and thermal hysteresis, using room temperature X-ray diffraction and magnetometry. The annealing time, temperature and the effects of homogenising the thermoseeds were studied to determine the functional hyperthermia applications. The bulk Ni-Si and Ni-Al binary alloys have Curie temperatures in the desired range, 316 K-319 K (43 °C-46 °C), which is suitable for magnetic hyperthermia applications. We have found that T C strictly follows a linear trend with doping concentration over a wide range of temperature. The magnetic ordering temperature and the magnetic properties can be controlled through substitution in these binary alloys.

Fluorescent polymeric assemblies as stimuli-responsive vehicles for drug controlled release and cell/tissue imaging

NASA Astrophysics Data System (ADS)

Chang, Ying; Li, Yang; Yu, Shirong; Mao, Jie; Liu, Cheng; Li, Qi; Yuan, Conghui; He, Ning; Luo, Weiang; Dai, Lizong

2015-01-01

Polymer assemblies with good biocompatibility, stimuli-responsive properties and clinical imaging capability are desirable carriers for future biomedical applications. Herein, we report on the synthesis of a novel anthracenecarboxaldehyde-decorated poly(N-(4-aminophenyl) methacryl amide-oligoethyleneglycolmonomethylether methacrylate) (P(MAAPAC-MAAP-MAPEG)) copolymer, comprising fluorescent chromophore and acid-labile moiety. This copolymer can assemble into micelles in aqueous solution and shows a spherical shape with well-defined particle size and narrow particle size distribution. The pH-responsive property of the micelles has been evaluated by the change of particle size and the controlled release of guest molecules. The intrinsic fluorescence property endows the micelles with excellent cell/tissue imaging capability. Cell viability evaluation with human hepatocellular carcinoma BEL-7402 cells demonstrates that the micelles are nontoxic. The cellular uptake of the micelles indicates a time-dependent behavior. The H22-tumor bearing mice treated with the micelles clearly exhibits the tumor accumulation. These multi-functional nanocarriers may be of great interest in the application of drug delivery.

Effect of strain on the electronic structure of graphene

NASA Astrophysics Data System (ADS)

Martinez, Edgar; Cifuentes, Eduardo; de Coss, Romeo

2008-03-01

Graphene has been attracting interest due to its remarkable physical properties resulting from an electron spectrum resembling relativistic dynamics (Dirac fermions). Thus, is desirable to know methods for controling the charge carriers in graphene. In this work, we propose that the electronic properties of graphene can be modulated via isotropic and uniaxial strain. We have studied the electronic structure of graphene under mechanical deformation by means of first principles calculations. We present results for the charge distribution, electronic density of states, and band structure. We focus the analysis on the behavior of the Dirac cones and the number of the charge carriers as a function of strain. We find that an isotropic tensile strain increases the effective mass of carriers and an isotropic compression strain decrease it. Uniaxial tensile strain induce a similar behavior, as strain increase effective mass increase. Thus, our results show that strain allows controllable tuning of the graphene electronic properties. This research was supported by Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grant No. 43830-F.

A new approach to global control of redundant manipulators

NASA Technical Reports Server (NTRS)

Seraji, Homayoun

1989-01-01

A new and simple approach to configuration control of redundant manipulators is presented. In this approach, the redundancy is utilized to control the manipulator configuration directly in task space, where the task will be performed. A number of kinematic functions are defined to reflect the desirable configuration that will be achieved for a given end-effector position. The user-defined kinematic functions and the end-effector Cartesian coordinates are combined to form a set of task-related configuration variables as generalized coordinates for the manipulator. An adaptive scheme is then utilized to globally control the configuration variables so as to achieve tracking of some desired reference trajectories. This accomplishes the basic task of desired end-effector motion, while utilizing the redundancy to achieve any additional task through the desired time variation of the kinematic functions. The control law is simple and computationally very fast, and does not require the complex manipulator dynamic model.

Film forming microbial biopolymers for commercial applications--a review.

PubMed

Vijayendra, S V N; Shamala, T R

2014-12-01

Microorganisms synthesize intracellular, structural and extracellular polymers also referred to as biopolymers for their function and survival. These biopolymers play specific roles as energy reserve materials, protective agents, aid in cell functioning, the establishment of symbiosis, osmotic adaptation and support the microbial genera to function, adapt, multiply and survive efficiently under changing environmental conditions. Viscosifying, gelling and film forming properties of these have been exploited for specific significant applications in food and allied industries. Intensive research activities and recent achievements in relevant and important research fields of global interest regarding film forming microbial biopolymers is the subject of this review. Microbial polymers such as pullulan, kefiran, bacterial cellulose (BC), gellan and levan are placed under the category of exopolysaccharides (EPS) and have several other functional properties including film formation, which can be used for various applications in food and allied industries. In addition to EPS, innumerable bacterial genera are found to synthesis carbon energy reserves in their cells known as polyhydroxyalkanoates (PHAs), microbial polyesters, which can be extruded into films with excellent moisture and oxygen barrier properties. Blow moldable biopolymers like PHA along with polylactic acid (PLA) synthesized chemically in vitro using lactic acid (LA), which is produced by LA bacteria through fermentation, are projected as biodegradable polymers of the future for packaging applications. Designing and creating of new property based on requirements through controlled synthesis can lead to improvement in properties of existing polysaccharides and create novel biopolymers of great commercial interest and value for wider applications. Incorporation of antimicrobials such as bacteriocins or silver and copper nanoparticles can enhance the functionality of polymer films especially in food packaging applications either in the form of coatings or wrappings. Use of EPS in combinations to obtain desired properties can be evaluated to increase the application range. Controlled release of active compounds, bioactive protection and resistance to water can be investigated while developing new technologies to improve the film properties of active packaging and coatings. An holistic approach may be adopted in developing an economical and biodegradable packaging material with acceptable properties. An interdisciplinary approach with new innovations can lead to the development of new composites of these biopolymers to enhance the application range. This current review focuses on linking and consolidation of recent research activities on the production and applications of film forming microbial polymers like EPS, PHA and PLA for commercial applications.

Strong tissue glue with tunable elasticity.

PubMed

Kelmansky, Regina; McAlvin, Brian J; Nyska, Abraham; Dohlman, Jenny C; Chiang, Homer H; Hashimoto, Michinao; Kohane, Daniel S; Mizrahi, Boaz

2017-04-15

Many bio-adhesive materials adhere weakly to tissue due to their high water content and weak structural integrity. Others provide desirable adhesive strength but suffer from rigid structure and lack of elasticity after administration. We have developed two water-free, liquid four-armed PEG pre-polymers modified with NHS or with NH 2 end groups which upon mixing changed from liquids to an elastic solid. The sealant and adhesive properties increased with the amount of the %v/v PEG 4 -NHS pre-polymer, and achieved adhesive properties comparable to those of cyanoacrylate glues. All mixtures showed minimal cytotoxicity in vitro. Mixtures of 90%v/v PEG 4 -NHS were retained in the subcutaneous space in vivo for up to 14days with minimal inflammation. This material's combination of desirable mechanical properties and biocompatibility has potential in numerous biomedical applications. Many bio-adhesive materials adhere weakly to tissue (e.g. hydrogels) due to their high water content and weak structural integrity. Others provide desirable mechanical properties but suffer from poor biocompatibility (e.g. cyanoacrylates). This study proposes a new concept for the formation of super strong and tunable tissue glues. Our bio-materials' enhanced performance is the product of new neat (without water or other solvents) liquid polymers that solidify after administration while allowing interactions with the tissue. Moreover, the elastic modulus of these materials could easily be tuned without compromising biocompatibility. This system could be an attractive alternative to sutures and staples since it can be applied more quickly, causes less pain and may require less equipment while maintaining the desired adhesion strength. Copyright © 2017 Acta Materialia Inc. All rights reserved.

Geometrical-optics code for computing the optical properties of large dielectric spheres.

PubMed

Zhou, Xiaobing; Li, Shusun; Stamnes, Knut

2003-07-20

Absorption of electromagnetic radiation by absorptive dielectric spheres such as snow grains in the near-infrared part of the solar spectrum cannot be neglected when radiative properties of snow are computed. Thus a new, to our knowledge, geometrical-optics code is developed to compute scattering and absorption cross sections of large dielectric particles of arbitrary complex refractive index. The number of internal reflections and transmissions are truncated on the basis of the ratio of the irradiance incident at the nth interface to the irradiance incident at the first interface for a specific optical ray. Thus the truncation number is a function of the angle of incidence. Phase functions for both near- and far-field absorption and scattering of electromagnetic radiation are calculated directly at any desired scattering angle by using a hybrid algorithm based on the bisection and Newton-Raphson methods. With these methods a large sphere's absorption and scattering properties of light can be calculated for any wavelength from the ultraviolet to the microwave regions. Assuming that large snow meltclusters (1-cm order), observed ubiquitously in the snow cover during summer, can be characterized as spheres, one may compute absorption and scattering efficiencies and the scattering phase function on the basis of this geometrical-optics method. A geometrical-optics method for sphere (GOMsphere) code is developed and tested against Wiscombe's Mie scattering code (MIE0) and a Monte Carlo code for a range of size parameters. GOMsphere can be combined with MIE0 to calculate the single-scattering properties of dielectric spheres of any size.

Thin film self-assembly of PVMS-b-PMMA block copolymer

NASA Astrophysics Data System (ADS)

Lwoya, Baraka; Uddin, Md; Chatterjee, Sourav; Albert, Julie

Self-assembly of block copolymers has been explored for numerous years with a primary emphasis on nanolithographic templates and membrane applications. Block copolymers (BCPs) hold great promise as next-generation patterning materials for sub-10 nm nano-electronic applications. However, the inherent properties to develop smaller more ordered thin films ( 10-100 nm) is greatly hindered by the inability of the low segregation strength of conventional polymers such as poly(styrene-block-methylmethacrylate). We aim at addressing this issue by firstly synthesizing strongly segregating BCPs of poly(vinylmethylsiloxane-block-methyl methacrylate) (PVMS- b - PMMA) with different block volume fractions. Second, we induce self-assembly by either thermal or solvent annealing and characterize the morphology by atomic force microscopy (AFM). In addition, the use of a block with a pendant vinyl group provides the ability to functionalize the PVMS segment by thiol-ene reaction, either to further control of the segregation strength or to impart desirable surface chemical properties (e.g., adhesion/lift-off in templating or functionality in membranes). Gulf Research Program Early-Career Research Fellowship.

Recent advances in biomimetic sensing technologies.

PubMed

Johnson, E A C; Bonser, R H C; Jeronimidis, G

2009-04-28

The importance of biological materials has long been recognized from the molecular level to higher levels of organization. Whereas, in traditional engineering, hardness and stiffness are considered desirable properties in a material, biology makes considerable and advantageous use of softer, more pliable resources. The development, structure and mechanics of these materials are well documented and will not be covered here. The purpose of this paper is, however, to demonstrate the importance of such materials and, in particular, the functional structures they form. Using only a few simple building blocks, nature is able to develop a plethora of diverse materials, each with a very different set of mechanical properties and from which a seemingly impossibly large number of assorted structures are formed. There is little doubt that this is made possible by the fact that the majority of biological 'materials' or 'structures' are based on fibres and that these fibres provide opportunities for functional hierarchies. We show how these structures have inspired a new generation of innovative technologies in the science and engineering community. Particular attention is given to the use of insects as models for biomimetically inspired innovations.

Electronic charge rearrangement at metal/organic interfaces induced by weak van der Waals interactions

NASA Astrophysics Data System (ADS)

Ferri, Nicola; Ambrosetti, Alberto; Tkatchenko, Alexandre

2017-07-01

Electronic charge rearrangements at interfaces between organic molecules and solid surfaces play a key role in a wide range of applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. It is common to utilize electrostatics and Pauli pushback to control the interface electronic properties, while the ubiquitous van der Waals (vdW) interactions are often considered to have a negligible direct contribution (beyond the obvious structural relaxation). Here, we apply a fully self-consistent Tkatchenko-Scheffler vdW density functional to demonstrate that the weak vdW interactions can induce sizable charge rearrangements at hybrid metal/organic systems (HMOS). The complex vdW correlation potential smears out the interfacial electronic density, thereby reducing the charge transfer in HMOS, changes the interface work functions by up to 0.2 eV, and increases the interface dipole moment by up to 0.3 Debye. Our results suggest that vdW interactions should be considered as an additional control parameter in the design of hybrid interfaces with the desired electronic properties.

Biomaterials functionalization using a novel peptide that selectively binds to a conducting polymer

NASA Astrophysics Data System (ADS)

Sanghvi, Archit B.; Miller, Kiley P.-H.; Belcher, Angela M.; Schmidt, Christine E.

2005-06-01

The goal in biomaterial surface modification is to retain a material's bulk properties while modifying only its surface to possess desired recognition and specificity. Here we develop a unique strategy for surface functionalization of an electrically conductive polymer, chlorine-doped polypyrrole (PPyCl), which has been widely researched for various electronic and biomedical applications. An M13 bacteriophage library was used to screen 109 different 12-mer peptide inserts against PPyCl. A binding phage (ϕT59) was isolated, and its binding stability and specificity to PPyCl was assessed using fluorescence microscopy and titer count analysis. The relative binding strength and mechanism of the corresponding 12-mer peptide and its variants was studied using atomic force microscopy and fluorescamine assays. Further, the T59 peptide was joined to a cell adhesive sequence and used to promote cell attachment on PPyCl. This strategy can be extended to immobilize a variety of molecules to PPyCl for numerous applications. In addition, phage display can be applied to other polymers to develop bioactive materials without altering their bulk properties.

Extraction, chemical composition, rheological behavior, antioxidant activity and functional properties of Cordia myxa mucilage.

PubMed

Dokht, Shaghayegh Keshani; Djomeh, Zahra Emam; Yarmand, Mohammad Saeid; Fathi, Morteza

2018-06-14

This paper aims to investigate chemical composition, rheological behavior, antioxidant activity and functional properties of Cordia myxa mucilage (CMM). Response surface methodology (RSM) demonstrated that optimum conditions for CMM extraction were as follow: ultrasound power of 99.37 W, extraction temperature of 88.05 °C and solid to water ratio of 16.25 w/w. CMM had, on average, 77.51% carbohydrate, 5.86% total ash, 8.90% protein, 6.90% moisture, and 1.00% fat. Due to a high level of nutrients, CMM can be suggested as a value added by-product in food and pharmaceutical systems. CMM is a low molecular weight polysaccharide containing three fractions with various molecular weights. FT-IR spectrum illustrated that this polymer had all typical bands and peaks characteristics of polysaccharides. Based on steady shear measurements, CMM can be introduced as a new source of hydrocolloid with high-temperature stability. CMM had the desirable antiradical capacity, water solubility and water/oil holding capacity. Copyright © 2017. Published by Elsevier B.V.

Simplified curve fits for the thermodynamic properties of equilibrium air

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Tannehill, J. C.; Weilmuenster, K. J.

1986-01-01

New improved curve fits for the thermodynamic properties of equilibrium air were developed. The curve fits are for p = p(e,rho), a = a(e,rho), T = T(e,rho), s = s(e,rho), T = T(p,rho), h = h(p,rho), rho = rho(p,s), e = e(p,s) and a = a(p,s). These curve fits can be readily incorporated into new or existing Computational Fluid Dynamics (CFD) codes if real-gas effects are desired. The curve fits were constructed using Grabau-type transition functions to model the thermodynamic surfaces in a piecewise manner. The accuracies and continuity of these curve fits are substantially improved over those of previous curve fits appearing in NASA CR-2470. These improvements were due to the incorporation of a small number of additional terms in the approximating polynomials and careful choices of the transition functions. The ranges of validity of the new curve fits are temperatures up to 25,000 K and densities from 10 to the minus 7th to 100 amagats (rho/rho sub 0).

Polymerization and Structure of Bio-Based Plastics: A Computer Simulation

NASA Astrophysics Data System (ADS)

Khot, Shrikant N.; Wool, Richard P.

2001-03-01

We recently examined several hundred chemical pathways to convert chemically functionalized plant oil triglycerides, monoglycerides and reactive diluents into high performance plastics with a broad range of properties (US Patent No. 6,121,398). The resulting polymers had linear, branched, light- and highly-crosslinked chain architectures and could be used as pressure sensitive adhesives, elastomers and high performance rigid thermoset composite resins. To optimize the molecular design and minimize the number of chemical trials in this system with excess degrees of freedom, we developed a computer simulation of the free radical polymerization process. The triglyceride structure, degree of chemical substitution, mole fractions, fatty acid distribution function, and reaction kinetic parameters were used as initial inputs on a 3d lattice simulation. The evolution of the network fractal structure was computed and used to measure crosslink density, dangling ends, degree of reaction and defects in the lattice. The molecular connectivity was used to determine strength via a vector percolation model of fracture. The simulation permitted the optimal design of new bio-based materials with respect to monomer selection, cure reaction conditions and desired properties. Supported by the National Science Foundation

SATPdb: a database of structurally annotated therapeutic peptides

PubMed Central

Singh, Sandeep; Chaudhary, Kumardeep; Dhanda, Sandeep Kumar; Bhalla, Sherry; Usmani, Salman Sadullah; Gautam, Ankur; Tuknait, Abhishek; Agrawal, Piyush; Mathur, Deepika; Raghava, Gajendra P.S.

2016-01-01

SATPdb (http://crdd.osdd.net/raghava/satpdb/) is a database of structurally annotated therapeutic peptides, curated from 22 public domain peptide databases/datasets including 9 of our own. The current version holds 19192 unique experimentally validated therapeutic peptide sequences having length between 2 and 50 amino acids. It covers peptides having natural, non-natural and modified residues. These peptides were systematically grouped into 10 categories based on their major function or therapeutic property like 1099 anticancer, 10585 antimicrobial, 1642 drug delivery and 1698 antihypertensive peptides. We assigned or annotated structure of these therapeutic peptides using structural databases (Protein Data Bank) and state-of-the-art structure prediction methods like I-TASSER, HHsearch and PEPstrMOD. In addition, SATPdb facilitates users in performing various tasks that include: (i) structure and sequence similarity search, (ii) peptide browsing based on their function and properties, (iii) identification of moonlighting peptides and (iv) searching of peptides having desired structure and therapeutic activities. We hope this database will be useful for researchers working in the field of peptide-based therapeutics. PMID:26527728

Mechanical, thermal, and moisture properties of plastics with bean as filler

USDA-ARS?s Scientific Manuscript database

Experiments on polymers using beans as fillers are reported herein. We are looking for desirable mechanical, thermal and moisture properties at economical costs. Poly(lactic acid) (PLA) is studied as the polymeric matrix because it is available and biodegradable. Although the physical properties are...

Biocompatible Nanomaterials and Nanodevices Promising for Biomedical Applications

NASA Astrophysics Data System (ADS)

Firkowska, Izabela; Giannona, Suna; Rojas-Chapana, José A.; Luecke, Klaus; Brüstle, Oliver; Giersig, Michael

Nanotechnology applied to biology requires a thorough understanding of how molecules, sub-cellular entities, cells, tissues, and organs function and how they are structured. The merging of nanomaterials and life science into hybrids of controlled organization and function is possible, assuming that biology is nanostructured, and therefore man-made nano-materials can structurally mimic nature and complement each other. By taking advantage of their special properties, nanomaterials can stimulate, respond to and interact with target cells and tissues in controlled ways to induce desired physiological responses with a minimum of undesirable effects. To fulfill this goal the fabrication of nano-engineered materials and devices has to consider the design of natural systems. Thus, engineered micro-nano-featured systems can be applied to biology and biomedicine to enable new functionalities and new devices. These include, among others, nanostructured implants providing many advantages over existing, conventional ones, nanodevices for cell manipulation, and nanosensors that would provide reliable information on biological processes and functions.

Novel neural control for a class of uncertain pure-feedback systems.

PubMed

Shen, Qikun; Shi, Peng; Zhang, Tianping; Lim, Cheng-Chew

2014-04-01

This paper is concerned with the problem of adaptive neural tracking control for a class of uncertain pure-feedback nonlinear systems. Using the implicit function theorem and backstepping technique, a practical robust adaptive neural control scheme is proposed to guarantee that the tracking error converges to an adjusted neighborhood of the origin by choosing appropriate design parameters. In contrast to conventional Lyapunov-based design techniques, an alternative Lyapunov function is constructed for the development of control law and learning algorithms. Differing from the existing results in the literature, the control scheme does not need to compute the derivatives of virtual control signals at each step in backstepping design procedures. Furthermore, the scheme requires the desired trajectory and its first derivative rather than its first n derivatives. In addition, the useful property of the basis function of the radial basis function, which will be used in control design, is explored. Simulation results illustrate the effectiveness of the proposed techniques.

Cues Resulting in Desire for Sexual Activity in Women

PubMed Central

McCall, Katie; Meston, Cindy

2010-01-01

Introduction A number of questionnaires have been created to assess levels of sexual desire in women, but to our knowledge, there are currently no validated measures for assessing cues that result in sexual desire. A questionnaire of this nature could be useful for both clinicians and researchers, because it considers the contextual nature of sexual desire and it draws attention to individual differences in factors that can contribute to sexual desire. Aim The aim of the present study was to create a multidimensional assessment tool of cues for sexual desire in women that is validated in women with and without hypoactive sexual desire disorder (HSDD). Methods Factor analyses conducted on both an initial sample (N = 874) and a community sample (N = 138) resulted in the Cues for Sexual Desire Scale (CSDS) which included four factors: (i) Emotional Bonding Cues; (ii) Erotic/ Explicit Cues; (iii) Visual/Proximity Cues; and (iv) Implicit/Romantic Cues. Main Outcome Measures Scale construction of cues associated with sexual desire and differences between women with and without sexual dysfunction. Results The CSDS demonstrated good reliability and validity and was able to detect significant differences between women with and without HSDD. Results from regression analyses indicated that both marital status and level of sexual functioning predicted scores on the CSDS. The CSDS provided predictive validity for the Female Sexual Function Index desire and arousal domain scores, and increased cues were related to a higher reported frequency of sexual activity in women. Conclusions The findings from the present study provide valuable information regarding both internal and external triggers that can result in sexual desire for women. We believe that the CSDS could be beneficial in therapeutic settings to help identify cues that do and do not facilitate sexual desire in women with clinically diagnosed desire difficulties. PMID:16942529

Generalized neurofuzzy network modeling algorithms using Bézier-Bernstein polynomial functions and additive decomposition.

PubMed

Hong, X; Harris, C J

2000-01-01

This paper introduces a new neurofuzzy model construction algorithm for nonlinear dynamic systems based upon basis functions that are Bézier-Bernstein polynomial functions. This paper is generalized in that it copes with n-dimensional inputs by utilising an additive decomposition construction to overcome the curse of dimensionality associated with high n. This new construction algorithm also introduces univariate Bézier-Bernstein polynomial functions for the completeness of the generalized procedure. Like the B-spline expansion based neurofuzzy systems, Bézier-Bernstein polynomial function based neurofuzzy networks hold desirable properties such as nonnegativity of the basis functions, unity of support, and interpretability of basis function as fuzzy membership functions, moreover with the additional advantages of structural parsimony and Delaunay input space partition, essentially overcoming the curse of dimensionality associated with conventional fuzzy and RBF networks. This new modeling network is based on additive decomposition approach together with two separate basis function formation approaches for both univariate and bivariate Bézier-Bernstein polynomial functions used in model construction. The overall network weights are then learnt using conventional least squares methods. Numerical examples are included to demonstrate the effectiveness of this new data based modeling approach.

Bioconjugation of luminescent silicon quantum dots to gadolinium ions for bioimaging applications

NASA Astrophysics Data System (ADS)

Erogbogbo, Folarin; Chang, Ching-Wen; May, Jasmine L.; Liu, Liwei; Kumar, Rajiv; Law, Wing-Cheung; Ding, Hong; Yong, Ken Tye; Roy, Indrajit; Sheshadri, Mukund; Swihart, Mark T.; Prasad, Paras N.

2012-08-01

Luminescent imaging agents and MRI contrast agents are desirable components in the rational design of multifunctional nanoconstructs for biological imaging applications. Luminescent biocompatible silicon quantum dots (SiQDs) and gadolinium chelates can be applied for fluorescence microscopy and MRI, respectively. Here, we report the first synthesis of a nanocomplex incorporating SiQDs and gadolinium ions (Gd3+) for biological applications. The nanoconstruct is composed of a PEGylated micelle, with hydrophobic SiQDs in its core, covalently bound to DOTA-chelated Gd3+. Dynamic light scattering reveals a radius of 85 nm for these nanoconstructs, which is consistent with the electron microscopy results depicting radii ranging from 25 to 60 nm. Cellular uptake of the probes verified that they maintain their optical properties within the intracellular environment. The magnetic resonance relaxivity of the nanoconstruct was 2.4 mM-1 s-1 (in terms of Gd3+ concentration), calculated to be around 6000 mM-1 s-1 per nanoconstruct. These desirable optical and relaxivity properties of the newly developed probe open the door for use of SiQDs in future multimodal applications such as tumour imaging.Luminescent imaging agents and MRI contrast agents are desirable components in the rational design of multifunctional nanoconstructs for biological imaging applications. Luminescent biocompatible silicon quantum dots (SiQDs) and gadolinium chelates can be applied for fluorescence microscopy and MRI, respectively. Here, we report the first synthesis of a nanocomplex incorporating SiQDs and gadolinium ions (Gd3+) for biological applications. The nanoconstruct is composed of a PEGylated micelle, with hydrophobic SiQDs in its core, covalently bound to DOTA-chelated Gd3+. Dynamic light scattering reveals a radius of 85 nm for these nanoconstructs, which is consistent with the electron microscopy results depicting radii ranging from 25 to 60 nm. Cellular uptake of the probes verified that they maintain their optical properties within the intracellular environment. The magnetic resonance relaxivity of the nanoconstruct was 2.4 mM-1 s-1 (in terms of Gd3+ concentration), calculated to be around 6000 mM-1 s-1 per nanoconstruct. These desirable optical and relaxivity properties of the newly developed probe open the door for use of SiQDs in future multimodal applications such as tumour imaging. Electronic supplementary information (ESI) available: SEM images of MSiQD-Gd3+, DLS plot of MSiQD-NH2, images of Gd3+-functionalized Si QDs micelles in water, plot of percentages of Gd3+ leaked from original sample, and determination of free Gd3+ in solutions of Gd chelates. See DOI: 10.1039/c2nr31002c

The complementarity of the technical tools of tissue engineering and the concepts of artificial organs for the design of functional bioartificial tissues.

PubMed

Lenas, Petros; Moreno, Angel; Ikonomou, Laertis; Mayer, Joerg; Honda, Hiroyuki; Novellino, Antonio; Pizarro, Camilo; Nicodemou-Lena, Eleni; Rodergas, Silvia; Pintor, Jesus

2008-09-01

Although tissue engineering uses powerful biological tools, it still has a weak conceptual foundation, which is restricted at the cell level. The design criteria at the cell level are not directly related with the tissue functions, and consequently, such functions cannot be implemented in bioartificial tissues with the currently used methods. On the contrary, the field of artificial organs focuses on the function of the artificial organs that are treated in the design as integral entities, instead of the optimization of the artificial organ components. The field of artificial organs has already developed and tested methodologies that are based on system concepts and mathematical-computational methods that connect the component properties with the desired global organ function. Such methodologies are needed in tissue engineering for the design of bioartificial tissues with tissue functions. Under the framework of biomedical engineering, artificial organs and tissue engineering do not present competitive approaches, but are rather complementary and should therefore design a common future for the benefit of patients.

Acoustic wave propagation in heterogeneous structures including experimental validation

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Dahl, Milo D.

1989-01-01

A finite element model was developed to solve for the acoustic pressure and energy fields in a heterogeneous suppressor. The derivations from the governing equations assumed that the material properties could vary with position resulting in a heterogeneous variable property two-dimensional wave equation. This eliminated the necessity of finding the boundary conditions between different materials. For a two-media region consisting of part air and part bulk absorber, a model was used to describe the bulk absorber properties in two directions. Complex metallic structures inside the air duct are simulated by simply changing element properties from air to the structural material in a pattern to describe the desired shapes. To verify the numerical theory, experiments were conducted without flow in a rectangular duct with a single folded cavity mounted above the duct and absorbing material mounted inside a cavity. Changes in a nearly plane wave sound field were measured on the wall opposite the absorbing cavity. Fairly good agreement was found in the standing wave pattern upstream of the absorber and in the decay of pressure level opposite the absorber, as a function of distance along the duct. The finite element model provides a convenient method for evaluating the acoustic properties of bulk absorbers.

Method and apparatus for calibrating a tiled display

NASA Technical Reports Server (NTRS)

Chen, Chung-Jen (Inventor); Johnson, Michael J. (Inventor); Chandrasekhar, Rajesh (Inventor)

2001-01-01

A display system that can be calibrated and re-calibrated with a minimal amount of manual intervention. To accomplish this, one or more cameras are provided to capture an image of the display screen. The resulting captured image is processed to identify any non-desirable characteristics, including visible artifacts such as seams, bands, rings, etc. Once the non-desirable characteristics are identified, an appropriate transformation function is determined. The transformation function is used to pre-warp the input video signal that is provided to the display such that the non-desirable characteristics are reduced or eliminated from the display. The transformation function preferably compensates for spatial non-uniformity, color non-uniformity, luminance non-uniformity, and other visible artifacts.

Modeling fructose-load-induced hepatic de-novo lipogenesis by model simplification

PubMed Central

Allen, Richard J; Musante, Cynthia J

2017-01-01

Hepatic de-novo lipogenesis is a metabolic process implemented in the pathogenesis of type 2 diabetes. Clinically, the rate of this process can be ascertained by use of labeled acetate and stimulation by fructose administration. A systems pharmacology model of this process is desirable because it facilitates the description, analysis, and prediction of this experiment. Due to the multiple enzymes involved in de-novo lipogenesis, and the limited data, it is desirable to use single functional expressions to encapsulate the flux between multiple enzymes. To accomplish this we developed a novel simplification technique which uses the available information about the properties of the individual enzymes to bound the parameters of a single governing ‘transfer function’. This method should be applicable to any model with linear chains of enzymes that are well stimulated. We validated this approach with computational simulations and analytical justification in a limiting case. Using this technique we generated a simple model of hepatic de-novo lipogenesis in these experimental conditions that matched prior data. This model can be used to assess pharmacological intervention at specific points on this pathway. We have demonstrated this with prospective simulation of acetyl-CoA carboxylase inhibition. This simplification technique suggests how the constituent properties of an enzymatic chain of reactions gives rise to the sensitivity (to substrate) of the pathway as a whole. PMID:28469410

3D Printing Polymers with Supramolecular Functionality for Biological Applications.

PubMed

Pekkanen, Allison M; Mondschein, Ryan J; Williams, Christopher B; Long, Timothy E

2017-09-11

Supramolecular chemistry continues to experience widespread growth, as fine-tuned chemical structures lead to well-defined bulk materials. Previous literature described the roles of hydrogen bonding, ionic aggregation, guest/host interactions, and π-π stacking to tune mechanical, viscoelastic, and processing performance. The versatility of reversible interactions enables the more facile manufacturing of molded parts with tailored hierarchical structures such as tissue engineered scaffolds for biological applications. Recently, supramolecular polymers and additive manufacturing processes merged to provide parts with control of the molecular, macromolecular, and feature length scales. Additive manufacturing, or 3D printing, generates customizable constructs desirable for many applications, and the introduction of supramolecular interactions will potentially increase production speed, offer a tunable surface structure for controlling cell/scaffold interactions, and impart desired mechanical properties through reinforcing interlayer adhesion and introducing gradients or self-assembled structures. This review details the synthesis and characterization of supramolecular polymers suitable for additive manufacture and biomedical applications as well as the use of supramolecular polymers in additive manufacturing for drug delivery and complex tissue scaffold formation. The effect of supramolecular assembly and its dynamic behavior offers potential for controlling the anisotropy of the printed objects with exquisite geometrical control. The potential for supramolecular polymers to generate well-defined parts, hierarchical structures, and scaffolds with gradient properties/tuned surfaces provides an avenue for developing next-generation biomedical devices and tissue scaffolds.

Porous graphitic carbon nitride synthesized via direct polymerization of urea for efficient sunlight-driven photocatalytic hydrogen production

NASA Astrophysics Data System (ADS)

Zhang, Yuewei; Liu, Jinghai; Wu, Guan; Chen, Wei

2012-08-01

Energy captured directly from sunlight provides an attractive approach towards fulfilling the need for green energy resources on the terawatt scale with minimal environmental impact. Collecting and storing solar energy into fuel through photocatalyzed water splitting to generate hydrogen in a cost-effective way is desirable. To achieve this goal, low cost and environmentally benign urea was used to synthesize the metal-free photocatalyst graphitic carbon nitride (g-C3N4). A porous structure is achieved via one-step polymerization of the single precursor. The porous structure with increased BET surface area and pore volume shows a much higher hydrogen production rate under simulated sunlight irradiation than thiourea-derived and dicyanamide-derived g-C3N4. The presence of an oxygen atom is presumed to play a key role in adjusting the textural properties. Further improvement of the photocatalytic function can be expected with after-treatment due to its rich chemistry in functionalization.Energy captured directly from sunlight provides an attractive approach towards fulfilling the need for green energy resources on the terawatt scale with minimal environmental impact. Collecting and storing solar energy into fuel through photocatalyzed water splitting to generate hydrogen in a cost-effective way is desirable. To achieve this goal, low cost and environmentally benign urea was used to synthesize the metal-free photocatalyst graphitic carbon nitride (g-C3N4). A porous structure is achieved via one-step polymerization of the single precursor. The porous structure with increased BET surface area and pore volume shows a much higher hydrogen production rate under simulated sunlight irradiation than thiourea-derived and dicyanamide-derived g-C3N4. The presence of an oxygen atom is presumed to play a key role in adjusting the textural properties. Further improvement of the photocatalytic function can be expected with after-treatment due to its rich chemistry in functionalization. Electronic supplementary information (ESI) available: Methods for preparing and characterizing UCN, TCN and DCN samples. Methods for examining the photocatalytic hydrogen production. FTIR, XPS, and digital photos of three products are shown in Fig. S1-6. See DOI: 10.1039/c2nr30948c

Silk as an innovative biomaterial for cancer therapy.

PubMed

Jastrzebska, Katarzyna; Kucharczyk, Kamil; Florczak, Anna; Dondajewska, Ewelina; Mackiewicz, Andrzej; Dams-Kozlowska, Hanna

2015-01-01

Silk has been used for centuries in the textile industry and as surgical sutures. In addition to its unique mechanical properties, silk possesses other properties, such as biocompatibility, biodegradability and ability to self-assemble, which make it an interesting material for biomedical applications. Although silk forms only fibers in nature, synthetic techniques can be used to control the processing of silk into different morphologies, such as scaffolds, films, hydrogels, microcapsules, and micro- and nanospheres. Moreover, the biotechnological production of silk proteins broadens the potential applications of silk. Synthetic silk genes have been designed. Genetic engineering enables modification of silk properties or the construction of a hybrid silk. Bioengineered hybrid silks consist of a silk sequence that self-assembles into the desired morphological structure and the sequence of a polypeptide that confers a function to the silk biomaterial. The functional domains can comprise binding sites for receptors, enzymes, drugs, metals or sugars, among others. Here, we review the current status of potential applications of silk biomaterials in the field of oncology with a focus on the generation of implantable, injectable and targeted drug delivery systems and the three-dimensional cancer models based on silk scaffolds for cancer research. However, the systems described could be applied in many biomedical fields.

Predictions of the physicochemical properties of amino acid side chain analogs using molecular simulation.

PubMed

Ahmed, Alauddin; Sandler, Stanley I

2016-03-07

A candidate drug compound is released for clinical trails (in vivo activity) only if its physicochemical properties meet desirable bioavailability and partitioning criteria. Amino acid side chain analogs play vital role in the functionalities of protein and peptides and as such are important in drug discovery. We demonstrate here that the predictions of solvation free energies in water, in 1-octanol, and self-solvation free energies computed using force field-based expanded ensemble molecular dynamics simulation provide good accuracy compared to existing empirical and semi-empirical methods. These solvation free energies are then, as shown here, used for the prediction of a wide range of physicochemical properties important in the assessment of bioavailability and partitioning of compounds. In particular, we consider here the vapor pressure, the solubility in both water and 1-octanol, and the air-water, air-octanol, and octanol-water partition coefficients of amino acid side chain analogs computed from the solvation free energies. The calculated solvation free energies using different force fields are compared against each other and with available experimental data. The protocol here can also be used for a newly designed drug and other molecules where force field parameters and charges are obtained from density functional theory.

Advancing density functional theory to finite temperatures: methods and applications in steel design

NASA Astrophysics Data System (ADS)

Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.

2012-02-01

The performance of materials such as steels, their high strength and formability, is based on an impressive variety of competing mechanisms on the microscopic/atomic scale (e.g. dislocation gliding, solid solution hardening, mechanical twinning or structural phase transformations). Whereas many of the currently available concepts to describe these mechanisms are based on empirical and experimental data, it becomes more and more apparent that further improvement of materials needs to be based on a more fundamental level. Recent progress for methods based on density functional theory (DFT) now makes the exploration of chemical trends, the determination of parameters for phenomenological models and the identification of new routes for the optimization of steel properties feasible. A major challenge in applying these methods to a true materials design is, however, the inclusion of temperature-driven effects on the desired properties. Therefore, a large range of computational tools has been developed in order to improve the capability and accuracy of first-principles methods in determining free energies. These combine electronic, vibrational and magnetic effects as well as structural defects in an integrated approach. Based on these simulation tools, one is now able to successfully predict mechanical and thermodynamic properties of metals with a hitherto not achievable accuracy.

Functional Studies of Sodium Channels: From Target to Compound Identification.

PubMed

Bertrand, Daniel; Biton, Bruno; Licher, Thomas; Chambard, Jean-Marie; Lanneau, Christophe; Partiseti, Michel; Lefevre, Isabel A

2016-12-13

Over the last six decades, voltage-gated sodium (Na v ) channels have attracted a great deal of scientific and pharmaceutical interest, driving fundamental advances in both biology and technology. The structure and physiological function of these channels have been extensively studied; clinical and genetic data have uncovered their implication in diseases such as epilepsy, arrhythmias, and pain, bringing them into focus as current and future drug targets. While different techniques have been established to record the activity of Na v channels, proper determination of their properties still presents serious challenges, depending upon the experimental conditions and the desired subtype of channel to be characterized. The aim of this unit is to review the characteristics of Na v channels, their properties, the cells in which they can be studied, and the currently available techniques. Topics covered include the determination of Na v -channel biophysical properties as well as the use of toxins to discriminate between subtypes using electrophysiological or optical methods. Perspectives on the development of high-throughput screening assays with their advantages and limitations are also discussed to allow a better understanding of the challenges encountered in voltage-gated sodium channel preclinical drug discovery. © 2016 by John Wiley & Sons, Inc. Copyright © 2016 John Wiley & Sons, Inc.

Advancing density functional theory to finite temperatures: methods and applications in steel design.

PubMed

Hickel, T; Grabowski, B; Körmann, F; Neugebauer, J

2012-02-08

The performance of materials such as steels, their high strength and formability, is based on an impressive variety of competing mechanisms on the microscopic/atomic scale (e.g. dislocation gliding, solid solution hardening, mechanical twinning or structural phase transformations). Whereas many of the currently available concepts to describe these mechanisms are based on empirical and experimental data, it becomes more and more apparent that further improvement of materials needs to be based on a more fundamental level. Recent progress for methods based on density functional theory (DFT) now makes the exploration of chemical trends, the determination of parameters for phenomenological models and the identification of new routes for the optimization of steel properties feasible. A major challenge in applying these methods to a true materials design is, however, the inclusion of temperature-driven effects on the desired properties. Therefore, a large range of computational tools has been developed in order to improve the capability and accuracy of first-principles methods in determining free energies. These combine electronic, vibrational and magnetic effects as well as structural defects in an integrated approach. Based on these simulation tools, one is now able to successfully predict mechanical and thermodynamic properties of metals with a hitherto not achievable accuracy.

Biological response on a titanium implant-grade surface functionalized with modular peptides☆

PubMed Central

Yazici, H.; Fong, H.; Wilson, B.; Oren, E.E.; Amos, F.A.; Zhang, H.; Evans, J.S.; Snead, M.L.; Sarikaya, M.; Tamerler, C.

2015-01-01

Titanium (Ti) and its alloys are among the most successful implantable materials for dental and orthopedic applications. The combination of excellent mechanical and corrosion resistance properties makes them highly desirable as endosseous implants that can withstand a demanding biomechanical environment. Yet, the success of the implant depends on its osteointegration, which is modulated by the biological reactions occurring at the interface of the implant. A recent development for improving biological responses on the Ti-implant surface has been the realization that bifunctional peptides can impart material binding specificity not only because of their molecular recognition of the inorganic material surface, but also through their self-assembly and ease of biological conjugation properties. To assess peptide-based functionalization on bioactivity, the present authors generated a set of peptides for implant-grade Ti, using cell surface display methods. Out of 60 unique peptides selected by this method, two of the strongest titanium binding peptides, TiBP1 and TiBP2, were further characterized for molecular structure and adsorption properties. These two peptides demonstrated unique, but similar molecular conformations different from that of a weak binder peptide, TiBP60. Adsorption measurements on a Ti surface revealed that their disassociation constants were 15-fold less than TiBP60. Their flexible and modular use in biological surface functionalization were demonstrated by conjugating them with an integrin recognizing peptide motif, RGDS. The functionalization of the Ti surface by the selected peptides significantly enhanced the bioactivity of osteoblast and fibroblast cells on implant-grade materials. PMID:23159566

Aggregates, Crystals, Gels, and Amyloids: Intracellular and Extracellular Phenotypes at the Crossroads of Immunoglobulin Physicochemical Property and Cell Physiology

PubMed Central

2013-01-01

Recombinant immunoglobulins comprise an important class of human therapeutics. Although specific immunoglobulins can be purposefully raised against desired antigen targets by various methods, identifying an immunoglobulin clone that simultaneously possesses potent therapeutic activities and desirable manufacturing-related attributes often turns out to be challenging. The variable domains of individual immunoglobulins primarily define the unique antigen specificities and binding affinities inherent to each clone. The primary sequence of the variable domains also specifies the unique physicochemical properties that modulate various aspects of individual immunoglobulin life cycle, starting from the biosynthetic steps in the endoplasmic reticulum, secretory pathway trafficking, secretion, and the fate in the extracellular space and in the endosome-lysosome system. Because of the diverse repertoire of immunoglobulin physicochemical properties, some immunoglobulin clones' intrinsic properties may manifest as intriguing cellular phenotypes, unusual solution behaviors, and serious pathologic outcomes that are of scientific and clinical importance. To gain renewed insights into identifying manufacturable therapeutic antibodies, this paper catalogs important intracellular and extracellular phenotypes induced by various subsets of immunoglobulin clones occupying different niches of diverse physicochemical repertoire space. Both intrinsic and extrinsic factors that make certain immunoglobulin clones desirable or undesirable for large-scale manufacturing and therapeutic use are summarized. PMID:23533417

Nonlinear optical properties of rigid-rod polymers

NASA Technical Reports Server (NTRS)

Trimmer, Mark S.; Wang, Ying

1992-01-01

The purpose of this research project was to integrate enhanced third order nonlinear optical (NLO) properties, especially high x(exp (3)) (greater than 10(exp -8) esu), into Maxdem's novel conjugated rigid-rod polymers while retaining their desirable processing, mechanical, and thermal properties. This work primarily involved synthetic approaches to optimized materials.

A modeling framework for life history-based conservation planning

Treesearch

Eileen S. Burns; Sandor F. Toth; Robert G. Haight

2013-01-01

Reserve site selection models can be enhanced by including habitat conditions that populations need for food, shelter, and reproduction. We present a new population protection function that determines whether minimum areas of land with desired habitat features are present within the desired spatial conditions in the protected sites. Embedding the protection function as...

Children’s belief- and desire-reasoning in the temporoparietal junction: evidence for specialization from functional near-infrared spectroscopy

PubMed Central

Bowman, Lindsay C.; Kovelman, Ioulia; Hu, Xiaosu; Wellman, Henry M.

2015-01-01

Behaviorally, children’s explicit theory of mind (ToM) proceeds in a progression of mental-state understandings: developmentally, children demonstrate accurate explicit desire-reasoning before accurate explicit belief-reasoning. Given its robust and cross-cultural nature, we hypothesize this progression may be paced in part by maturation/specialization of the brain. Neuroimaging research demonstrates that the right temporoparietal junction (TPJ) becomes increasingly selective for ToM reasoning as children age, and as their ToM improves. But this research has narrowly focused on beliefs or on undifferentiated mental-states. A recent ERP study in children included a critical contrast to desire-reasoning, and demonstrated that right posterior potentials differentiated belief-reasoning from desire-reasoning. Taken together, the literature suggests that children’s desire-belief progression may be paced by specialization of the right TPJ for belief-reasoning specifically, beyond desire-reasoning. In the present study, we tested this hypothesis directly by examining children’s belief- and desire-reasoning using functional near-infrared spectroscopy in conjunction with structural magnetic resonance imaging to pinpoint brain activation in the right TPJ. Results showed greatest activation in the right TPJ for belief-reasoning, beyond desire-reasoning, and beyond non-mental reasoning (control). Findings replicate and critically extend prior ERP results, and provide clear evidence for a specific neural mechanism underlying children’s progression from understanding desires to understanding beliefs. PMID:26500527

ZnO Nanostructures for Drug Delivery and Theranostic Applications.

PubMed

Martínez-Carmona, Marina; Gun'ko, Yurii; Vallet-Regí, María

2018-04-23

In the last two decades, zinc oxide (ZnO) semiconductor Quantum dots (QDs) have been shown to have fantastic luminescent properties, which together with their low-cost, low-toxicity and biocompatibility have turned these nanomaterials into one of the main candidates for bio-imaging. The discovery of other desirable traits such as their ability to produce destructive reactive oxygen species (ROS), high catalytic efficiency, strong adsorption capability and high isoelectric point, also make them promising nanomaterials for therapeutic and diagnostic functions. Herein, we review the recent progress on the use of ZnO based nanoplatforms in drug delivery and theranostic in several diseases such as bacterial infection and cancer.

Novel multiform morphologies of hydroxyapatite: Synthesis and growth mechanism

NASA Astrophysics Data System (ADS)

Mary, I. Reeta; Sonia, S.; Viji, S.; Mangalaraj, D.; Viswanathan, C.; Ponpandian, N.

2016-01-01

Morphological evolution of materials becomes a prodigious challenge due to their key role in defining their functional properties and desired applications. Herein, we report the synthesis of hydroxyapatite (HAp) microstructures with multiform morphologies, such as spheres, cubes, hexagonal rods and nested bundles constructed from their respective nanoscale building blocks via a simple cost effective hydro/solvothermal method. A possible formation mechanism of diverse morphologies of HAp has been presented. Structural analysis based on X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy confirms the purity of the HAp microstructures. The multiform morphologies of HAp were corroborated by using Field emission scanning electron microscope (FESEM).

Electroplating lithium transition metal oxides

PubMed Central

Zhang, Huigang; Ning, Hailong; Busbee, John; Shen, Zihan; Kiggins, Chadd; Hua, Yuyan; Eaves, Janna; Davis, Jerome; Shi, Tan; Shao, Yu-Tsun; Zuo, Jian-Min; Hong, Xuhao; Chan, Yanbin; Wang, Shuangbao; Wang, Peng; Sun, Pengcheng; Xu, Sheng; Liu, Jinyun; Braun, Paul V.

2017-01-01

Materials synthesis often provides opportunities for innovation. We demonstrate a general low-temperature (260°C) molten salt electrodeposition approach to directly electroplate the important lithium-ion (Li-ion) battery cathode materials LiCoO2, LiMn2O4, and Al-doped LiCoO2. The crystallinities and electrochemical capacities of the electroplated oxides are comparable to those of the powders synthesized at much higher temperatures (700° to 1000°C). This new growth method significantly broadens the scope of battery form factors and functionalities, enabling a variety of highly desirable battery properties, including high energy, high power, and unprecedented electrode flexibility. PMID:28508061

Heat and pH stability of alkali-extractable corn arabinoxylan and its xylanase-hydrolyzate and their viscosity behavior.

PubMed

Rumpagaporn, Pinthip; Kaur, Amandeep; Campanella, Osvaldo H; Patterson, John A; Hamaker, Bruce R

2012-01-01

In in vitro batch fermentations, both alkali-extractable corn arabinoxylan (CAX) and its xylanase-hydrolyzate (CH) were utilized by human fecal microbiota and produced similar short chain fatty acid (SCFA) contents and desirable long fermentation profiles with low initial gas production. Fortification of these arabinoxylans into processed foods would contribute desirable dietary fiber benefits to humans. Heat and pH stability, as well as viscosity behavior of CAX and CH were investigated. Size exclusion chromatography was used to analyze the molecular size distribution after treatment at different pH's and heating temperatures for different time periods. Treated under boiling and pressure cooking conditions at pH 3, CAX was degraded to a smaller molecular size, whereas the molecular size of the CH showed only a minor decrease. CAX and CH were mostly stable at neutral pH, except when CAX was treated under pressure for 60 min that slightly lowered molecular size. At 37 °C, neither CAX nor CH was adversely affected by treatment at low or neutral pH. The viscosities of solutions containing 5% and 10% of CAX were 48.7 and 637.0 mPa.s, respectively that were higher than those of solutions containing 5% and 10% of its hydrolyzate at shear rate 1 s⁻¹. The CAX solutions showed Newtonian flow behavior, whereas shear-thinning behavior was observed in CH solutions. In conclusion, the hydrolyzate of CAX has potential to be used in high fiber drinks due to its favorable fermentation properties, higher pH and heat stability, lower and shear-thinning viscosity, and lighter color than the native CAX. Arabinoxylan extracted by an alkali from corn bran is a soluble fiber with a desirable low initial and extended fermentation property. Corn arabinoxylan hydrolyzate using an endoxylanase was much more stable at different levels of acidity and heat than the native arabinoxylan, and showed lower solution viscosity and shear-thinning property that indicates its potential as an alternative functional dietary fiber for the beverage industry. © 2011 Institute of Food Technologists®

Using surfaces, ligands, and dimensionality to obtain desired nanostructure properties

NASA Astrophysics Data System (ADS)

Nagpal, Prashant; Singh, Vivek; Ding, Yuchen

2014-03-01

Nanostructured materials are intensively investigated to obtain material properties different from their bulk counterparts. It has been demonstrated that nanoscaled semiconductor can have interesting size, shape and morphology dependent optoelectronic properties. But the effect of surfaces, ligands and dimensionality (0D quantum dots to 2D nanosheets) has been largely unexplored. Here, we will show how tuning the surface and dimensionality can affect the electronic states of the semiconductor, and how these states can play an important role in their fundamental photophysical properties or thermal transport. Using the specific case for silicon, we will show how ``new'' surface states in small uniform can lead to light absorption/emission without phonon assistance, while hindering the phonon-drag of charge carriers leading to low Seebeck coefficient for thermoelectric applications. These measurements will shed light on designing appropriate surface, size, and dimensionality for desired applications of nanostructured films.

A Role for M-Matrices in Modelling Population Growth

ERIC Educational Resources Information Center

James, Glyn; Rumchev, Ventsi

2006-01-01

Adopting a discrete-time cohort-type model to represent the dynamics of a population, the problem of achieving a desired total size of the population under a balanced growth (contraction) and the problem of maintaining the desired size, once achieved, are studied. Properties of positive-time systems and M-matrices are used to develop the results,…

Electrochemical Deposition Of Conductive Copolymers

NASA Technical Reports Server (NTRS)

Nagasubramanian, Ganesan; Distefano, Salvador; Liang, Ranty H.

1991-01-01

Experiments show electrically conductive films are deposited on glassy carbon or indium tin oxide substrates by electrochemical polymerization of N-{(3-trimethoxy silyl) propyl} pyrrole or copolymerization with pyrrole. Copolymers of monomer I and pyrrole exhibit desired electrical conductivity as well as desired adhesion and other mechanical properties. When fully developed, new copolymerization process useful in making surface films of selectable conductivity.

Method for fabricating hafnia films

DOEpatents

Hu, Michael Z [Knoxville, TN

2007-08-21

The present invention comprises a method for fabricating hafnia film comprising the steps of providing a substrate having a surface that allows formation of a self-assembled monolayer thereon via covalent bonding; providing an aqueous solution that provides homogeneous hafnium ionic complexes and hafnium nanoclusters wherein the aqueous solution is capable of undergoing homogeneous precipitation under controlled conditions for a desired period of time at a controlled temperature and controlled solution acidity for desired nanocluster nucleation and growth kinetics, desired nanocluster size, desired growth rate of film thickness and desired film surface characteristics. The method further comprising forming the self-assembled monolayer on the surface of the substrate wherein the self-assembled monolayer comprises a plurality of hydrocarbon chains cross-linked together along the surface of the substrate, the hydrocarbon chains being uniformly spaced from one another and wherein each of the hydrocarbon chains having a functional anchoring group at a first end of the chain covalently bonded with the surface of the substrate and each of the hydrocarbon chains having a functional terminating group projected away from the surface wherein the functional terminating group provides a bonding site for the hafnium film to grow; and exposing the substrate to the aqueous solution for a desired period of time at a controlled temperature wherein the hafnium ionic complexes and the hafnium nanoclusters are deposited on the bonding site of the functional terminating group thereby forming the hafnia film wherein the hafnium bonded to the hydrocarbons and to one another provide a uniform ordered arrangement defined by the uniform arrangement of the hydrocarbons.

A short review of radiation-induced raft-mediated graft copolymerization: A powerful combination for modifying the surface properties of polymers in a controlled manner

NASA Astrophysics Data System (ADS)

Barsbay, Murat; Güven, Olgun

2009-12-01

Surface grafting of polymeric materials is attracting increasing attention as it enables the preparation of new materials from known and commercially available polymers having desirable bulk properties such as thermal stability, elasticity, permeability, etc., in conjunction with advantageous newly tailored surface properties such as biocompatibility, biomimicry, adhesion, etc. Ionizing radiation, particularly γ radiation is one of the most powerful tools for preparing graft copolymers as it generates radicals on most substrates. With the advent of living free-radical polymerization techniques, application of γ radiation has been extended to a new era of grafting; grafting in a controlled manner to achieve surfaces with tailored and well-defined properties. This report presents the current use of γ radiation in living free-radical polymerization and highlights the use of both techniques together as a combination to present an advance in the ability to prepare surfaces with desired, tunable and well-defined properties.

Synthetic Substrata to Instruct Human Pluripotent Stem Cell Fate: From Novel Ligands to Functional Biomaterials

NASA Astrophysics Data System (ADS)

Musah, Samira

Human pluripotent stem (hPS) cells have the remarkable capacity to self-renew indefinitely and differentiate into desired cell types. They can serve as a virtually unlimited supply of cells for applications ranging from drug screening to cell therapies to understanding human development. Reaping the promise of hPS cells hinges on effective defined culture and differentiation conditions. Efforts to generate chemically-defined environments for hPS cell propagation and directed differentiation have been hindered by access to only a handful of ligands to target hPS cells. Additionally, progress has been limited also by lack of knowledge regarding the relevant functional properties of the cell culture substratum. To address these problems, I first employed forward-chemical-genetics coupled with self-assembled monolayer technology to identify novel peptides that bind to hPS cell-surface receptors. I then developed a controlled synthesis of hydrogels with tailored peptide display and mechanical properties. This approach yielded synthetic hydrogels with specific mechanical properties that function in a defined medium to robustly support hPS cell self-renewal. Finally, by starting from molecular level understanding that matrix elasticity regulates developmental pathways, I generated a highly efficient hydrogel platform that restricts hPS cell differentiation to neurons, even without soluble inductive factors. These results indicate that insoluble cues can be important information conduits to guide hPS cell fate decisions. I envision that the blueprint provided by this work can be utilized to devise new materials to guide hPS cell fate.

Effect of Sintering on Mechanical and Physical Properties of Plasma-Sprayed Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Choi, Sung R.; Zhu, Dong-Ming; Miller, Robert A.

2004-01-01

The effect of sintering on mechanical and physical properties of free-standing plasma-sprayed ZrO2-8 wt% Y2O3 thermal barrier coatings (TBCs) was determined by annealing them at 1316 C in air. Mechanical and physical properties of the TBCs, including strength, modes I and II fracture toughness, elastic modulus, Poisson s response, density, microhardness, fractography, and phase stability, were determined at ambient temperature as a function of annealing time ranging from 0 to 500 h. All mechanical and physical properties, except for the amount of monoclinic phase, increased significantly in 5 to 100 h and then reached a plateau above 100 h. Annealing resulted in healing of microcracks and pores and in grain growth, accompanying densification of the TBC s body due to the sintering effect. However, an inevitable adverse effect also occurred such that the desired lower thermal conductivity and good expansivity, which makes the TBCs unique in thermal barrier applications, were degraded upon annealing. A model was proposed to assess and quantify all the property variables in response to annealing in a normalized scheme. Directionality of as-sprayed TBCs appeared to have an insignificant effect on their properties, as determined via fracture toughness, microhardness, and elastic modulus measurements.

Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

NASA Astrophysics Data System (ADS)

Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; Alam, Aftab

2017-09-01

Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au1 -xFex alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: (1) an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic the homogeneously disordered alloy and (2) a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x =0.19 , which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x =0.19 , suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.

Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

DOE PAGES

Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; ...

2017-09-20

Here, gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au 1–xFe x alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic themore » homogeneously disordered alloy and a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x=0.19, which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x=0.19, suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.« less

Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.

Here, gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au 1–xFe x alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic themore » homogeneously disordered alloy and a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x=0.19, which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x=0.19, suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.« less

[Modification of sexual desire and orgasm after radical prostatectomy for prostate cancer].

PubMed

Messaoudi, R; Menard, J; Parquet, H; Ripert, T; Staerman, F

2011-01-01

To assess the impact of RP on patients' sexual desire and orgasm. Prospective, cross-sectional survey using a 16-item self-administered questionnaire. We assessed relevant domains of male sexual function (erectile function, sexual desire, and orgasm), psychological impact and treatment of ED. A total of 63 consecutive patients after RP were included (mean age: 63.9). Median time between questionnaire and RP was 26.8 months (range 6-67). After RP, 74.6 % of patients used ED treatments. Lower sexual desire and intercourse frequency were reported in respectively 52.4 and 79.4 %. Orgasm was modified in most patients: 39.7 % described loss of orgasm and 38.1 % reported decreased intensity. Involuntary loss of urine at orgasm (climacturia) was reported in 25.4 %. Negative psychological impact was reported in 68.3 % (loss of self-esteem, loss of masculinity, anxiety). RP adversely affected erectile and orgasmic functions but also sexual desire, self-esteem and masculinity despite treatments. Candidates for RP should be aware of ED but also of other postoperative sexual dysfunctions. 2010 Elsevier Masson SAS. All rights reserved.

Optimization of fixture layouts of glass laser optics using multiple kernel regression.

PubMed

Su, Jianhua; Cao, Enhua; Qiao, Hong

2014-05-10

We aim to build an integrated fixturing model to describe the structural properties and thermal properties of the support frame of glass laser optics. Therefore, (a) a near global optimal set of clamps can be computed to minimize the surface shape error of the glass laser optic based on the proposed model, and (b) a desired surface shape error can be obtained by adjusting the clamping forces under various environmental temperatures based on the model. To construct the model, we develop a new multiple kernel learning method and call it multiple kernel support vector functional regression. The proposed method uses two layer regressions to group and order the data sources by the weights of the kernels and the factors of the layers. Because of that, the influences of the clamps and the temperature can be evaluated by grouping them into different layers.

Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids

DOE PAGES

Bocharova, V.; Wojnarowska, Z.; Cao, Peng-Fei; ...

2017-11-28

Polymerized ionic liquids (PolyILs) are promising candidates for a wide range of technological applications due to their single ion conductivity and good mechanical properties. Tuning the glass transition temperature (T g) in these materials constitutes a major strategy to improve room temperature conductivity while controlling their mechanical properties. In this paper, we show experimental and simulation results demonstrating that in these materials T g does not follow a universal scaling behavior with the volume of the structural units V m (including monomer and counterion). Instead, T g is significantly influenced by the chain flexibility and polymer dielectric constant. We proposemore » a simplified empirical model that includes the electrostatic interactions and chain flexibility to describe T g in PolyILs. Finally, our model enables design of new functional PolyILs with the desired T g.« less

Effect of protein properties on display efficiency using the M13 phage display system.

PubMed

Imai, S; Mukai, Y; Takeda, T; Abe, Y; Nagano, K; Kamada, H; Nakagawa, S; Tsunoda, S; Tsutsumi, Y

2008-10-01

The M13 phage display system is a powerful technology for engineering proteins such as functional mutant proteins and peptides. In this system, it is necessary that the protein is displayed on the phage surface. Therefore, its application is often limited when a protein is poorly displayed. In this study, we attempted to understand the relationship between a protein's properties and its display efficiency using the well-known pIII and pVIII type phage display system. The display of positively charged SV40 NLS and HIV-1 Tat peptides on pill was less efficient than that of the neutrally charged RGDS peptide. When different molecular weight proteins (1.5-58 kDa) were displayed on pIII and pVIII, their display efficiencies were directly influenced by their molecular weights. These results indicate the usefulness in predicting a desired protein's compatibility with protein and peptide engineering using the phage display system.

Enhanced cytocompatibility and reduced genotoxicity of polydimethylsiloxane modified by plasma immersion ion implantation.

PubMed

Tong, Liping; Zhou, Wenhua; Zhao, Yuetao; Yu, Xuefeng; Wang, Huaiyu; Chu, Paul K

2016-12-01

Polydimethylsiloxane(PDMS) is a common industrial polymer with advantages such as ease of fabrication, tunable hardness, and other desirable properties, but the basic (-OSi(CH 3 ) 2 -) n structure in PDMS is inherently hydrophobic thereby hampering application to biomedical engineering. In this study, plasma immersion ion implantation (PIII) is conducted on PDMS to improve the biological properties. PIII forms wrinkled "herringbone" patterns and abundant O-containing functional groups on PDMS to alter the surface hydrophilicity. The biocompatibility of the modified PDMS is assessed with Chinese hamster ovarian cells and compared to that of the untreated PDMS. Our results reveal that the PDMS samples after undergoing PIII have better cytocompatibility and lower genotoxicity. PIII which is a non-line-of-sight technique extends the application of PDMS to the biomedical field. Copyright © 2016 Elsevier B.V. All rights reserved.

On the anatomy of a chain shift1

PubMed Central

Dinnsen, Daniel A.; Green, Christopher R.; Gierut, Judith A.; Morrisette, Michele L.

2012-01-01

Phonological chain shifts have been the focus of many theoretical, developmental, and clinical concerns. This paper considers an overlooked property of the problem by focusing on the typological properties of the widely attested ‘s > θ > f’ chain shift involving the processes of Labialization and Dentalization in early phonological development. Findings are reported from a cross-sectional study of 234 children (ages 3 years; 0 months–7;9) with functional (nonorganic) phonological delays. The results reveal some unexpected gaps in the predicted interactions of these processes and are brought to bear on the evaluation of recent optimality theoretic proposals for the characterization of phonological interactions. A developmental modification to the theory is proposed that has the desired effect of precluding certain early-stage grammars. The proposal is further evaluated against the facts of another widely cited developmental chain shift known as the ‘puzzle > puddle > pickle’ problem (Smith 1973). PMID:22389522

Lubrication with solids.

NASA Technical Reports Server (NTRS)

Buckley, D. H.; Johnson, R. L.

1972-01-01

Brief discussion of the historical background, variety range, chemistry, physics, and other properties of solid lubricants, and review of their current uses. The widespread use of solid lubricants did not occur until about 1947. At present, they are the object of such interest that a special international conference on their subject was held in 1971. They are used at temperatures beyond the useful range of conventional lubricating oils and greases. Their low volatility provides them with the capability of functioning effectively in vacuum and invites their use in space applications. Their high load carrying ability makes them useful with heavily loaded components. Solid lubricants, however, do lack some of the desirable properties of conventional lubricants. Unlike oils and greases, which have fluidity and can continuously be carried back into contact with lubricated surfaces, solid lubricants, because of their immobility, have finite lives. Also, oils and greases can carry away frictional heat from contacting surfaces, while solid lubricants cannot.

Wavefront modulation and subwavelength diffractive acoustics with an acoustic metasurface.

PubMed

Xie, Yangbo; Wang, Wenqi; Chen, Huanyang; Konneker, Adam; Popa, Bogdan-Ioan; Cummer, Steven A

2014-11-24

Metasurfaces are a family of novel wavefront-shaping devices with planar profile and subwavelength thickness. Acoustic metasurfaces with ultralow profile yet extraordinary wave manipulating properties would be highly desirable for improving the performance of many acoustic wave-based applications. However, designing acoustic metasurfaces with similar functionality to their electromagnetic counterparts remains challenging with traditional metamaterial design approaches. Here we present a design and realization of an acoustic metasurface based on tapered labyrinthine metamaterials. The demonstrated metasurface can not only steer an acoustic beam as expected from the generalized Snell's law, but also exhibits various unique properties such as conversion from propagating wave to surface mode, extraordinary beam-steering and apparent negative refraction through higher-order diffraction. Such designer acoustic metasurfaces provide a new design methodology for acoustic signal modulation devices and may be useful for applications such as acoustic imaging, beam steering, ultrasound lens design and acoustic surface wave-based applications.

Nonlinear frequency response based adaptive vibration controller design for a class of nonlinear systems

NASA Astrophysics Data System (ADS)

Thenozhi, Suresh; Tang, Yu

2018-01-01

Frequency response functions (FRF) are often used in the vibration controller design problems of mechanical systems. Unlike linear systems, the FRF derivation for nonlinear systems is not trivial due to their complex behaviors. To address this issue, the convergence property of nonlinear systems can be studied using convergence analysis. For a class of time-invariant nonlinear systems termed as convergent systems, the nonlinear FRF can be obtained. The present paper proposes a nonlinear FRF based adaptive vibration controller design for a mechanical system with cubic damping nonlinearity and a satellite system. Here the controller gains are tuned such that a desired closed-loop frequency response for a band of harmonic excitations is achieved. Unlike the system with cubic damping, the satellite system is not convergent, therefore an additional controller is utilized to achieve the convergence property. Finally, numerical examples are provided to illustrate the effectiveness of the proposed controller.

Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bocharova, V.; Wojnarowska, Z.; Cao, Peng-Fei

Polymerized ionic liquids (PolyILs) are promising candidates for a wide range of technological applications due to their single ion conductivity and good mechanical properties. Tuning the glass transition temperature (T g) in these materials constitutes a major strategy to improve room temperature conductivity while controlling their mechanical properties. In this paper, we show experimental and simulation results demonstrating that in these materials T g does not follow a universal scaling behavior with the volume of the structural units V m (including monomer and counterion). Instead, T g is significantly influenced by the chain flexibility and polymer dielectric constant. We proposemore » a simplified empirical model that includes the electrostatic interactions and chain flexibility to describe T g in PolyILs. Finally, our model enables design of new functional PolyILs with the desired T g.« less

Epitaxial growth of hybrid nanostructures

NASA Astrophysics Data System (ADS)

Tan, Chaoliang; Chen, Junze; Wu, Xue-Jun; Zhang, Hua

2018-02-01

Hybrid nanostructures are a class of materials that are typically composed of two or more different components, in which each component has at least one dimension on the nanoscale. The rational design and controlled synthesis of hybrid nanostructures are of great importance in enabling the fine tuning of their properties and functions. Epitaxial growth is a promising approach to the controlled synthesis of hybrid nanostructures with desired structures, crystal phases, exposed facets and/or interfaces. This Review provides a critical summary of the state of the art in the field of epitaxial growth of hybrid nanostructures. We discuss the historical development, architectures and compositions, epitaxy methods, characterization techniques and advantages of epitaxial hybrid nanostructures. Finally, we provide insight into future research directions in this area, which include the epitaxial growth of hybrid nanostructures from a wider range of materials, the study of the underlying mechanism and determining the role of epitaxial growth in influencing the properties and application performance of hybrid nanostructures.

Laser deposition and direct-writing of thermoelectric misfit cobaltite thin films

NASA Astrophysics Data System (ADS)

Chen, Jikun; Palla-Papavlu, Alexandra; Li, Yulong; Chen, Lidong; Shi, Xun; Döbeli, Max; Stender, Dieter; Populoh, Sascha; Xie, Wenjie; Weidenkaff, Anke; Schneider, Christof W.; Wokaun, Alexander; Lippert, Thomas

2014-06-01

A two-step process combining pulsed laser deposition of calcium cobaltite thin films and a subsequent laser induced forward transfer as micro-pixel is demonstrated as a direct writing approach of micro-scale thin film structures for potential applications in thermoelectric micro-devices. To achieve the desired thermo-electric properties of the cobaltite thin film, the laser induced plasma properties have been characterized utilizing plasma mass spectrometry establishing a direct correlation to the corresponding film composition and structure. The introduction of a platinum sacrificial layer when growing the oxide thin film enables a damage-free laser transfer of calcium cobaltite thereby preserving the film composition and crystallinity as well as the shape integrity of the as-transferred pixels. The demonstrated direct writing approach simplifies the fabrication of micro-devices and provides a large degree of flexibility in designing and fabricating fully functional thermoelectric micro-devices.

[Current applications of high-throughput DNA sequencing technology in antibody drug research].

PubMed

Yu, Xin; Liu, Qi-Gang; Wang, Ming-Rong

2012-03-01

Since the publication of a high-throughput DNA sequencing technology based on PCR reaction was carried out in oil emulsions in 2005, high-throughput DNA sequencing platforms have been evolved to a robust technology in sequencing genomes and diverse DNA libraries. Antibody libraries with vast numbers of members currently serve as a foundation of discovering novel antibody drugs, and high-throughput DNA sequencing technology makes it possible to rapidly identify functional antibody variants with desired properties. Herein we present a review of current applications of high-throughput DNA sequencing technology in the analysis of antibody library diversity, sequencing of CDR3 regions, identification of potent antibodies based on sequence frequency, discovery of functional genes, and combination with various display technologies, so as to provide an alternative approach of discovery and development of antibody drugs.

Lattice Wigner equation.

PubMed

Solórzano, S; Mendoza, M; Succi, S; Herrmann, H J

2018-01-01

We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta retained in the discretization, which also determines the accuracy of the method. The Wigner equation is equipped with an additional collision operator, designed in such a way as to ensure numerical stability without affecting the evolution of the relevant moments of the Wigner function. The lattice Wigner scheme is validated for the case of quantum harmonic and anharmonic potentials, showing good agreement with theoretical results. It is further applied to the study of the transport properties of one- and two-dimensional open quantum systems with potential barriers. Finally, the computational viability of the scheme for the case of three-dimensional open systems is also illustrated.

Functional metasurfaces based on metallic and dielectric subwavelength slits and stripes array

NASA Astrophysics Data System (ADS)

Guo, Yinghui; Pu, Mingbo; Li, Xiong; Ma, Xiaoliang; Gao, Ping; Wang, Yanqin; Luo, Xiangang

2018-04-01

Starting with the early works of extraordinary optical transmission and extraordinary Young’s interference, researchers have been fascinated by the unusual optical properties displayed by metallic holes/slits and subsequently found similar abnormities in dielectric counterparts. Benefiting from the shrinking wavelength of surface plasmon polaritons excited in metallic slits and high refractive index of dielectric stripes, one can realize local phase modulation and approach desired dispersion by engineering the geometries of a slits and stripes array. In this review, we review recent developments in functional metasurfaces composed of various metallic and dielectric subwavelength slits and stripes arrays, with special emphasis on achromatic, ultra-broadband, quasi-continuous, multifunctional and reconfigurable metasurfaces. Particular attention is paid to provide insight into the design strategies for these devices. Finally, we give an outlook of the development in this fascinating area.

Lattice Wigner equation

NASA Astrophysics Data System (ADS)

Solórzano, S.; Mendoza, M.; Succi, S.; Herrmann, H. J.

2018-01-01

We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta retained in the discretization, which also determines the accuracy of the method. The Wigner equation is equipped with an additional collision operator, designed in such a way as to ensure numerical stability without affecting the evolution of the relevant moments of the Wigner function. The lattice Wigner scheme is validated for the case of quantum harmonic and anharmonic potentials, showing good agreement with theoretical results. It is further applied to the study of the transport properties of one- and two-dimensional open quantum systems with potential barriers. Finally, the computational viability of the scheme for the case of three-dimensional open systems is also illustrated.

Physical properties and moisture relations of wood

Treesearch

William Simpson; Anton TenWolde

1999-01-01

The versatility of wood is demonstrated by a wide variety of products. This variety is a result of a spectrum of desirable physical characteristics or properties among the many species of wood. In many cases, more than one property of wood is important to the end product. For example, to select a wood species for a product, the value of appearance- type properties,...

Expanding the Analysis of Psychosocial Factors of Sexual Desire in Men.

PubMed

Nimbi, Filippo Maria; Tripodi, Francesca; Rossi, Roberta; Simonelli, Chiara

2018-02-01

The literature lacks studies of the male sex drive. Most existing studies have focused on hypoactive sexual desire disorder in coupled heterosexual men, highlighting some of the main related biological, psychological, and social factors. To evaluate the role of selected psychological and social variables affecting male sexual desire such as quality of life, sexual function, distress, satisfaction, psychological symptoms, emotions, alexithymia, couple adjustment, sexism, cognitive schemas activated in a sexual context, sexual dysfunctional beliefs, and different classes of cognitions triggered during sexual activity about failure anticipation, erection concerns, age- and body-related thoughts, erotic fantasies, and negative attitudes toward sexuality. A wide self-administered survey used snowball sampling to reach 298 heterosexual Italian men (age = 32.66 ± 11.52 years) from the general population. 13 questionnaires exploring psychological and social elements involved in sexual response were administrated: International Index of Erectile Function, Short Form 36 for Quality of Life, Beck Depression Inventory-II, Symptom Check List-90-Revised, Toronto Alexithymia Scale, Premature Ejaculation Severity Index, Sexual Distress Scale, Sexual Satisfaction Scale, Dyadic Adjustment Scale, Ambivalent Sexism Inventory, Sexual Modes Questionnaire, Sexual Dysfunctional Belief Questionnaire, and Questionnaire of Cognitive Schema Activation in Sexual Context. Results showed lack of erotic thoughts (β = -0.328), fear (β = -0.259) and desire to have a baby (β = -0.259) as the main predictors of the level of sexual desire in this group. Energy-fatigue, depression, premature ejaculation severity, sexual distress, compatibility, subjective sexual response, and sexual conservatism had a weaker effect on sexual desire. Sexual functioning (13.80%), emotional response (12.70%), dysfunctional sexual beliefs (12.10%), and negative automatic thoughts (12.00%) had more variable effects on sexual drive. Analyzed variables could represent important factors that should be considered in the assessment of desire concerns and discussed in therapy. The strength of this study is the analysis of novel psychological and social factors on male sexual desire. Recruitment and sample size do not allow generalization of the results, but some crucial points for future research and clinical practice are discussed. Our findings showed that male sexual desire could be affected by many psychological and social elements. Other factors remain to be explored, in their direct and interactive effects, aiming to better explain male sexual desire functioning. Nimbi FM, Tripodi F, Rossi R, Simonelli C. Expanding the Analysis of Psychosocial Factors of Sexual Desire in Men. J Sex Med 2018;15:230-244. Copyright © 2017 International Society for Sexual Medicine. Published by Elsevier Inc. All rights reserved.

Multiplexed chirp waveform synthesizer

DOEpatents

Dudley, Peter A.; Tise, Bert L.

2003-09-02

A synthesizer for generating a desired chirp signal has M parallel channels, where M is an integer greater than 1, each channel including a chirp waveform synthesizer generating at an output a portion of a digital representation of the desired chirp signal; and a multiplexer for multiplexing the M outputs to create a digital representation of the desired chirp signal. Preferably, each channel receives input information that is a function of information representing the desired chirp signal.

Desirable functional processes: A conceptual approach for evaluating ecological condition

Treesearch

Alvin L. Medina; Malchus B. Baker; Daniel G. Neary

1996-01-01

Determining what "desired future condition" actually means has been viewed as a moving target approach for developing ecosystem management plans. The difficulty arises from trying to define what the desired condition are for any given site. In addition, definitions may be plagued with inconsistencies, contention and argument, indeterminate time frames and...

Synthesis of Single-walled Carbon Nanotubes Coated with Thiol-reactive Gel via Emulsion Polymerization.

PubMed

Nagai, Yukiko; Tsutsumi, Yusuke; Nakashima, Naotoshi; Fujigaya, Tsuyohiko

2018-06-15

Single-walled carbon nanotubes (SWNTs) have unique near-infrared absorption and photoemission properties that are attractive for in vivo biological applications such as photothermal cancer treatment and bioimaging. Therefore, a smart functionalization strategy for SWNTs to create biocompatible surfaces and introduce various ligands to target active cancer cells without losing the unique optical properties of the SWNTs is strongly desired. This paper reports the de-sign and synthesis of a SWNT/gel hybrid containing maleimide groups, which react with various thiol compounds through Michael addition reactions. In this hybrid, the method called carbon nanotube micelle polymerization was used to non-covalently modify the surface of SWNTs with a cross-linked polymer gel layer. This method can form an extremely stable gel layer on SWNTs; such stability is essential for in vivo biological applications. The monomer used to form the gel layer contained a maleimide group, which was protected with furan in endo-form. The resulting hybrid was treated in water to induce deprotection via retro Diels-Alder reaction and then functionalized with thiol com-pounds through Michael addition. The functionalization of the hybrid was explored using a thiol-containing fluores-cent dye as a model thiol and the formation of the SWNT-dye conjugate was confirmed by energy transfer from the dye to SWNTs. Our strategy offers a promising SWNT-based platform for biological functionalization for cancer targeting, imaging, and treatment.

Metal oxide nanosensors using polymeric membranes, enzymes and antibody receptors as ion and molecular recognition elements.

PubMed

Willander, Magnus; Khun, Kimleang; Ibupoto, Zafar Hussain

2014-05-16

The concept of recognition and biofunctionality has attracted increasing interest in the fields of chemistry and material sciences. Advances in the field of nanotechnology for the synthesis of desired metal oxide nanostructures have provided a solid platform for the integration of nanoelectronic devices. These nanoelectronics-based devices have the ability to recognize molecular species of living organisms, and they have created the possibility for advanced chemical sensing functionalities with low limits of detection in the nanomolar range. In this review, various metal oxides, such as ZnO-, CuO-, and NiO-based nanosensors, are described using different methods (receptors) of functionalization for molecular and ion recognition. These functionalized metal oxide surfaces with a specific receptor involve either a complex formation between the receptor and the analyte or an electrostatic interaction during the chemical sensing of analytes. Metal oxide nanostructures are considered revolutionary nanomaterials that have a specific surface for the immobilization of biomolecules with much needed orientation, good conformation and enhanced biological activity which further improve the sensing properties of nanosensors. Metal oxide nanostructures are associated with certain unique optical, electrical and molecular characteristics in addition to unique functionalities and surface charge features which shows attractive platforms for interfacing biorecognition elements with effective transducing properties for signal amplification. There is a great opportunity in the near future for metal oxide nanostructure-based miniaturization and the development of engineering sensor devices.

Metabolic Syndrome and Sexual Function in Postmenopausal Women.

PubMed

Trompeter, Susan E; Bettencourt, Ricki; Barrett-Connor, Elizabeth

2016-12-01

Limited literature suggests that sexual dysfunction in women covaries with the metabolic syndrome. This study examined the association of sexual function with metabolic syndrome and cardiovascular disease in healthy older women. There were 376 postmenopausal, community-dwelling women from the Rancho Bernardo Study (mean baseline age = 73 years) that completed a clinic visit during 1999-2002 and returned the Female Sexual Function Index (FSFI) questionnaire mailed in 2002. Thirty-nine percent reported being sexually active; 41.5% met a diagnosis of metabolic syndrome. The number of metabolic syndrome components was strongly associated with decreased sexual activity, desire, and low sexual satisfaction. Waist girth, diabetes, and hypertension were associated with decreased sexual activity. Elevated triglycerides were associated with low desire. Among the cardiovascular endpoints, heart attack, coronary artery bypass, and angina were associated with decreased sexual activity, but not with sexual desire or satisfaction. Past diagnosis of heart failure, poor circulation, and stroke were not associated with sexual function. Sexually active women with metabolic syndrome met criteria for sexual dysfunction in desire, arousal, orgasm, and satisfaction domains. The FSFI Total Score did not differ significantly between sexually active and inactive women. Metabolic syndrome was associated with decreased sexual activity, desire, and satisfaction in all women and with sexual dysfunction in most domains in sexually active women. Coronary artery disease was more prevalent in women with low sexual activity. Copyright © 2016 Elsevier Inc. All rights reserved.

Forbidding Undesirable Agreements: A Dependence-Based Approach to the Regulation of Multi-agent Systems

NASA Astrophysics Data System (ADS)

Turrini, Paolo; Grossi, Davide; Broersen, Jan; Meyer, John-Jules Ch.

The purpose of this contribution is to set up a language to evaluate the results of concerted action among interdependent agents against predetermined properties that we can recognise as desirable from a deontic point of view. Unlike the standard view of logics to reason about coalitionally rational action, the capacity of a set of agents to take a rational decision will be restricted to what we will call agreements, that can be seen as solution concepts to a dependence structure present in a certain game. The language will identify in concise terms those agreements that act accordingly or disaccordingly with the desirable properties arbitrarily set up in the beginning, and will reveal, by logical reasoning, a variety of structural properties of this type of collective action.

Functionalization of graphene for efficient energy conversion and storage.

PubMed

Dai, Liming

2013-01-15

As global energy consumption accelerates at an alarming rate, the development of clean and renewable energy conversion and storage systems has become more important than ever. Although the efficiency of energy conversion and storage devices depends on a variety of factors, their overall performance strongly relies on the structure and properties of the component materials. Nanotechnology has opened up new frontiers in materials science and engineering to meet this challenge by creating new materials, particularly carbon nanomaterials, for efficient energy conversion and storage. As a building block for carbon materials of all other dimensionalities (such as 0D buckyball, 1D nanotube, 3D graphite), the two-dimensional (2D) single atomic carbon sheet of graphene has emerged as an attractive candidate for energy applications due to its unique structure and properties. Like other materials, however, a graphene-based material that possesses desirable bulk properties rarely features the surface characteristics required for certain specific applications. Therefore, surface functionalization is essential, and researchers have devised various covalent and noncovalent chemistries for making graphene materials with the bulk and surface properties needed for efficient energy conversion and storage. In this Account, I summarize some of our new ideas and strategies for the controlled functionalization of graphene for the development of efficient energy conversion and storage devices, such as solar cells, fuel cells, supercapacitors, and batteries. The dangling bonds at the edge of graphene can be used for the covalent attachment of various chemical moieties while the graphene basal plane can be modified via either covalent or noncovalent functionalization. The asymmetric functionalization of the two opposite surfaces of individual graphene sheets with different moieties can lead to the self-assembly of graphene sheets into hierarchically structured materials. Judicious application of these site-selective reactions to graphene sheets has opened up a rich field of graphene-based energy materials with enhanced performance in energy conversion and storage. These results reveal the versatility of surface functionalization for making sophisticated graphene materials for energy applications. Even though many covalent and noncovalent functionalization methods have already been reported, vast opportunities remain for developing novel graphene materials for highly efficient energy conversion and storage systems.

Photonically driven DNA nanomachine with hybrid functions towards cell measurement

NASA Astrophysics Data System (ADS)

Ogura, Yusuke; Nishimura, Takahiro; Yamada, Kenji; Tanida, Jun

2018-02-01

Physical properties of a cell are often valuable information about the status of the cell, and developing technologies to measure such properties is important to enhance the progress in, for example, diagnosis of diseases. In this paper, we present a photonically driven DNA nanomachine with hybrid functions: providing a physical operation to a cell and reporting the cell's response. The DNA nanomachine can be controlled according to optical signals, and therefore the measurement is achieved locally at designated positions and at desired times. Black hole quenchers (BHQs) are introduced to drive the DNA nanomachine using light. When the DNA nanomachine is irradiated with the light at the excitation wavelength of the BHQs, the thermal energy is produced from the BHQs to drive the DNA nanomachine. To demonstrate a basic functionality, we constructed a DNA nanomachine that transformed between a linear conformation and a hairpin-like conformation depending on the presence or absence of a controlling DNA. This conformation change will be able to provide a force to deform cells as a physical operation. The response of the cell is reported as fluorescence resonance energy transfer (FRET) signals. An experimental result demonstrated that the FRET signal changed according to the presence or absence of the controlling DNA. The method is expected to be useful in measuring the stiffness of a cell.

On Using Homogeneous Polynomials To Design Anisotropic Yield Functions With Tension/Compression Symmetry/Assymetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soare, S.; Cazacu, O.; Yoon, J. W.

With few exceptions, non-quadratic homogeneous polynomials have received little attention as possible candidates for yield functions. One reason might be that not every such polynomial is a convex function. In this paper we show that homogeneous polynomials can be used to develop powerful anisotropic yield criteria, and that imposing simple constraints on the identification process leads, aposteriori, to the desired convexity property. It is shown that combinations of such polynomials allow for modeling yielding properties of metallic materials with any crystal structure, i.e. both cubic and hexagonal which display strength differential effects. Extensions of the proposed criteria to 3D stressmore » states are also presented. We apply these criteria to the description of the aluminum alloy AA2090T3. We prove that a sixth order orthotropic homogeneous polynomial is capable of a satisfactory description of this alloy. Next, applications to the deep drawing of a cylindrical cup are presented. The newly proposed criteria were implemented as UMAT subroutines into the commercial FE code ABAQUS. We were able to predict six ears on the AA2090T3 cup's profile. Finally, we show that a tension/compression asymmetry in yielding can have an important effect on the earing profile.« less

Defined surface immobilization of glycosaminoglycan molecules for probing and modulation of cell-material interactions.

PubMed

Wang, Kai; Luo, Ying

2013-07-08

As one important category of biological molecules on the cell surface and in the extracellular matrix (ECM), glycosaminoglycans (GAGs) have been widely studied for biomedical applications. With the understanding that the biological functions of GAGs are driven by the complex dynamics of physiological and pathological processes, methodologies are desired to allow the elucidation of cell-GAG interactions with molecular level precision. In this study, a microtiter plate-based system was devised through a new surface modification strategy involving polydopamine (PDA) and GAG molecules functionalized with hydrazide chemical groups. A small library of GAGs including hyaluronic acid (with different molecular weights), heparin, and chondroitin sulfate was successfully immobilized via defined binding sites onto the microtiter plate surface under facile aqueous conditions. The methodology then allowed parallel studies of the GAG-modified surfaces in a high-throughput format. The results show that immobilized GAGs possess distinct properties to mediate protein adsorption, cell adhesion, and inflammatory responses, with each property showing dependence on the type and molecular weight of specific GAG molecules. The PDA-assisted immobilization of hydrazide-functionalized GAGs allows biomimetic attachment of GAG molecules and retains their bioactivity, providing a new methodology to systematically probe fundamental cell-GAG interactions to modulate the bioactivity and biocompatibility of biomaterials.

Control of repulsive force in a virtual environment using an electrorheological haptic master for a surgical robot application

NASA Astrophysics Data System (ADS)

Oh, Jong-Seok; Choi, Seung-Hyun; Choi, Seung-Bok

2014-01-01

This paper presents control performances of a new type of four-degrees-of-freedom (4-DOF) haptic master that can be used for robot-assisted minimally invasive surgery (RMIS). By adopting a controllable electrorheological (ER) fluid, the function of the proposed master is realized as a haptic feedback as well as remote manipulation. In order to verify the efficacy of the proposed master and method, an experiment is conducted with deformable objects featuring human organs. Since the use of real human organs is difficult for control due to high cost and moral hazard, an excellent alternative method, the virtual reality environment, is used for control in this work. In order to embody a human organ in the virtual space, the experiment adopts a volumetric deformable object represented by a shape-retaining chain linked (S-chain) model which has salient properties such as fast and realistic deformation of elastic objects. In haptic architecture for RMIS, the desired torque/force and desired position originating from the object of the virtual slave and operator of the haptic master are transferred to each other. In order to achieve the desired torque/force trajectories, a sliding mode controller (SMC) which is known to be robust to uncertainties is designed and empirically implemented. Tracking control performances for various torque/force trajectories from the virtual slave are evaluated and presented in the time domain.

A study of possible associations between single nucleotide polymorphisms in the estrogen receptor 2 gene and female sexual desire.

PubMed

Gunst, Annika; Jern, Patrick; Westberg, Lars; Johansson, Ada; Salo, Benny; Burri, Andrea; Spector, Tim; Eriksson, Elias; Sandnabba, N Kenneth; Santtila, Pekka

2015-03-01

Female sexual desire and arousal problems have been shown to have a heritable component of moderate size. Previous molecular genetic studies on sexual desire have mainly focused on genes associated with neurotransmitters such as dopamine and serotonin. Nevertheless, there is reason to believe that hormones with more specific functions concerning sexuality could have an impact on sexual desire and arousal. The aim of the present study was to investigate the possible effects of 17 single nucleotide polymorphisms (SNPs) located in estrogen receptor genes on female sexual desire and subjective and genital arousal (lubrication). Based on previous research, we hypothesized that ESR1 and ESR2 are relevant genes that contribute to female sexual desire and arousal. The desire, arousal, and lubrication subdomains of the Female Sexual Function Index self-report questionnaire were used. The present study involved 2,448 female twins and their sisters aged 18-49 who had submitted saliva samples for genotyping. The participants were a subset from a large-scale, population-based sample. We found nominally significant main effects on sexual desire for three ESR2 -linked SNPs when controlled for anxiety, suggesting that individuals homozygous for the G allele of the rs1271572 SNP, and the A allele of the rs4986938 and rs928554 SNPs had lower levels of sexual desire. The rs4986938 SNP also had a nominally significant effect on lubrication. No effects for any of the SNPs on subjective arousal could be detected. The number of nominally significant results for SNPs in the ESR2 gene before correcting for multiple testing suggests that further studies on the possible influence of this gene on interindividual variation in female sexual functioning are warranted. In contrast, no support for an involvement of ESR1 was obtained. Our results should be interpreted with caution until replicated in independent, large samples. © 2014 International Society for Sexual Medicine.

Control method for turbocharged diesel engines having exhaust gas recirculation

DOEpatents

Kolmanovsky, Ilya V.; Jankovic, Mrdjan J; Jankovic, Miroslava

2000-03-14

A method of controlling the airflow into a compression ignition engine having an EGR and a VGT. The control strategy includes the steps of generating desired EGR and VGT turbine mass flow rates as a function of the desired and measured compressor mass airflow values and exhaust manifold pressure values. The desired compressor mass airflow and exhaust manifold pressure values are generated as a function of the operator-requested fueling rate and engine speed. The EGR and VGT turbine mass flow rates are then inverted to corresponding EGR and VGT actuator positions to achieve the desired compressor mass airflow rate and exhaust manifold pressure. The control strategy also includes a method of estimating the intake manifold pressure used in generating the EGR valve and VGT turbine positions.

TheInternational Index of Erectile Function (IIEF-15): psychometric properties of the Portuguese version.

PubMed

Quinta Gomes, Ana Luísa; Nobre, Pedro

2012-01-01

The International Index of Erectile Function (IIEF) is a brief, reliable, and multidimensional scale for assessing sexual function in men in both research and clinical trials. The objective of the present study was to determine the psychometric properties of the Portuguese version of the IIEF. A total of 1,363 Portuguese men participated in this study (a clinical sample of 37 men and a community sample of 1,326 men). All participants completed a questionnaire regarding demographic information and the IIEF. Principal component analysis using varimax rotation indicated a two-factor structure explaining approximately 55% of the total variance (one factor encompassing erection and orgasmic function domains of the original IIEF, and a second factor corresponding to sexual desire, intercourse, and overall satisfaction). The differentiated factor structure with five separate domains of sexual function was not replicated in the Portuguese version. The two-factor model and the original five-factor model of male sexual function were assessed with confirmatory factor analysis (CFA), and overall acceptable fits were demonstrated for both models. However, despite a non-optimal performance, CFA provided a better support for the five-factor solution as the model that best fitted the data. An important lack of discriminant validity evidenced by high intercorrelations among dimensions was detected in both models, suggesting a substantial overlap among factors. Reliability studies showed good internal consistency for the five subscales, and test-retest reliability analysis supported the stability of the measure over time. Discriminant validity confirmed the ability of both subscales to differentiate men with erectile dysfunction from matched controls. Results suggested that the Portuguese version of the IIEF has adequate psychometric properties, and its use is recommended for clinical and research purposes. Further studies are needed in order to elucidate the association among dimensions of male sexual function and, ultimately, to offer a clearer conceptualization of male's sexual response. © 2011 International Society for Sexual Medicine.

Laser apparatus

DOEpatents

Lewis, Owen; Stogran, Edmund M.

1980-01-01

Laser apparatus is described wherein an active laser element, such as the disc of a face-pumped laser, is mounted in a housing such that the weight of the element is supported by glass spheres which fill a chamber defined in the housing between the walls of the housing and the edges of the laser element. The uniform support provided by the spheres enable the chamber and the pump side of the laser element to be sealed without affecting the alignment or other optical properties of the laser element. Cooling fluid may be circulated through the sealed region by way of the interstices between the spheres. The spheres, and if desired also the cooling fluid may contain material which absorbs radiation at the wavelength of parasitic emissions from the laser element. These parasitic emissions enter the spheres through the interface along the edge surface of the laser element and it is desirable that the index of refraction of the spheres and cooling fluid be near the index of refraction of the laser element. Thus support, cooling, and parasitic suppression functions are all accomplished through the use of the arrangement.

Hunger and Thirst: Issues in measurement and prediction of eating and drinking

PubMed Central

Mattes, Richard D.

2010-01-01

Associations between hunger and eating and between thirst and drinking are generally weak. This stems, in part, from limitations in the measurement of these sensations which generally rely on temporal, motivational, metabolic and/or self-reported descriptive indices. Each is critically reviewed. Also problematic is the fact that the deterministic depletion-repletion concept of ingestive behavior fails to account for influences of a multitude of contravening cognitive, social, sensory and logistical factors. Although hunger and thirst serve some parallel purposes, sharp distinctions are also present with health implications. Of particular note are the observations that thirst ratings are higher and more stable over the day compared to hunger and thirst may be more motivating to drink than hunger is to eat. Coupling these observations with evidence that beverages have limited satiety value, they pose particular challenges and opportunities. Beverages can facilitate the delivery of nutrients to those desiring or requiring them, but also to those where they are not desired or required. The benefits and risks are a function of their use rather than their inherent properties. PMID:20060847

Programmable matter by folding

PubMed Central

Hawkes, E.; An, B.; Benbernou, N. M.; Tanaka, H.; Kim, S.; Demaine, E. D.; Rus, D.; Wood, R. J.

2010-01-01

Programmable matter is a material whose properties can be programmed to achieve specific shapes or stiffnesses upon command. This concept requires constituent elements to interact and rearrange intelligently in order to meet the goal. This paper considers achieving programmable sheets that can form themselves in different shapes autonomously by folding. Past approaches to creating transforming machines have been limited by the small feature sizes, the large number of components, and the associated complexity of communication among the units. We seek to mitigate these difficulties through the unique concept of self-folding origami with universal crease patterns. This approach exploits a single sheet composed of interconnected triangular sections. The sheet is able to fold into a set of predetermined shapes using embedded actuation. To implement this self-folding origami concept, we have developed a scalable end-to-end planning and fabrication process. Given a set of desired objects, the system computes an optimized design for a single sheet and multiple controllers to achieve each of the desired objects. The material, called programmable matter by folding, is an example of a system capable of achieving multiple shapes for multiple functions. PMID:20616049

Programmable matter by folding.

PubMed

Hawkes, E; An, B; Benbernou, N M; Tanaka, H; Kim, S; Demaine, E D; Rus, D; Wood, R J

2010-07-13

Programmable matter is a material whose properties can be programmed to achieve specific shapes or stiffnesses upon command. This concept requires constituent elements to interact and rearrange intelligently in order to meet the goal. This paper considers achieving programmable sheets that can form themselves in different shapes autonomously by folding. Past approaches to creating transforming machines have been limited by the small feature sizes, the large number of components, and the associated complexity of communication among the units. We seek to mitigate these difficulties through the unique concept of self-folding origami with universal crease patterns. This approach exploits a single sheet composed of interconnected triangular sections. The sheet is able to fold into a set of predetermined shapes using embedded actuation. To implement this self-folding origami concept, we have developed a scalable end-to-end planning and fabrication process. Given a set of desired objects, the system computes an optimized design for a single sheet and multiple controllers to achieve each of the desired objects. The material, called programmable matter by folding, is an example of a system capable of achieving multiple shapes for multiple functions.

Method for cold stable biojet fuel

DOEpatents

Seames, Wayne S.; Aulich, Ted

2015-12-08

Plant or animal oils are processed to produce a fuel that operates at very cold temperatures and is suitable as an aviation turbine fuel, a diesel fuel, a fuel blendstock, or any fuel having a low cloud point, pour point or freeze point. The process is based on the cracking of plant or animal oils or their associated esters, known as biodiesel, to generate lighter chemical compounds that have substantially lower cloud, pour, and/or freeze points than the original oil or biodiesel. Cracked oil is processed using separation steps together with analysis to collect fractions with desired low temperature properties by removing undesirable compounds that do not possess the desired temperature properties.

Fluorinated porphyrinoids as efficient platforms for new photonic materials, sensors, and therapeutics.

PubMed

Bhupathiraju, N V S Dinesh K; Rizvi, Waqar; Batteas, James D; Drain, Charles Michael

2016-01-14

Porphyrinoids are robust heterocyclic dyes studied extensively for their applications in medicine and as photonic materials because of their tunable photophysical properties, diverse means of modifying the periphery, and the ability to chelate most transition metals. Commercial applications include their use as phthalocyanine dyes in optical discs, porphyrins in photodynamic therapy, and as oxygen sensors. Most applications of these dyes require exocyclic moieties to improve solubility, target diseases, modulate photophysical properties, or direct the self-organization into architectures with desired photonic properties. The synthesis of the porphyrinoid depends on the desired application, but the de novo synthesis often involves several steps, is time consuming, and results in low isolated yields. Thus, the application of core porphyrinoid platforms that can be rapidly and efficiently modified to evaluate new molecular architectures allows researchers to focus on the design concepts rather than the synthesis methods, and opens porphyrinoid chemistry to a broader scientific community. We have focused on several widely available, commercially viable porphyrinoids as platforms: meso-perfluorophenylporphyrin, perfluorophthalocyanine, and meso-perfluorophenylcorrole. The perfluorophenylporphyrin is readily converted to the chlorin, bacteriochlorin, and isobacteriochlorin. Derivatives of all six of these core platforms can be efficiently and controllably made via mild nucleophilic aromatic substitution reactions using primary S, N, and O nucleophiles bearing a wide variety of functional groups. The remaining fluoro groups enhance the photo and oxidative stability of the dyes and can serve as spectroscopic signatures to characterize the compounds or in imaging applications using (19)F NMR. This review provides an overview of the chemistry of fluorinated porphyrinoids that are being used as a platform to create libraries of photo-active compounds for applications in medicine and materials.

Improved biobased lubricants from chemically modified vegetable oils

USDA-ARS?s Scientific Manuscript database

Vegetable oils possess a number of desirable properties for lubricant application such as excellent boundary properties, high viscosity index, low volatility, low traction coefficient, renewability, and biodegradability. Unfortunately, they also have a number of weaknesses that make them less desira...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raugei, Simone; DuBois, Daniel L.; Rousseau, Roger J.

Rational design of molecular catalysts requires a systematic approach to designing ligands with specific functionality and precisely tailored electronic and steric properties. It then becomes possible to devise computer protocols to predict accurately the required properties and ultimately to design catalysts by computer. In this account we first review how thermodynamic properties such as oxidation-reduction potentials (E0), acidities (pKa), and hydride donor abilities (ΔGH-) form the basis for a systematic design of molecular catalysts for reactions that are critical for a secure energy future (hydrogen evolution and oxidation, oxygen and nitrogen reduction, and carbon dioxide reduction). We highlight how densitymore » functional theory allows us to determine and predict these properties within “chemical” accuracy (~ 0.06 eV for redox potentials, ~ 1 pKa unit for pKa values, and ~ 1.5 kcal/mol for hydricities). These quantities determine free energy maps and profiles associated with catalytic cycles, i.e. the relative energies of intermediates, and help us distinguish between desirable and high-energy pathways and mechanisms. Good catalysts have flat profiles that avoid high activation barriers due to low and high energy intermediates. We illustrate how the criterion of a flat energy profile lends itself to the prediction of design points by computer for optimum catalysts. This research was carried out in the Center for Molecular Electro-catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory (PNNL) is operated for the DOE by Battelle.« less

Growth of Nanoparticles with Desired Catalytic Functions by Controlled Doping-Segregation of Metal in Oxide

DOE PAGES

Wu, Qiyuan; Yan, Binhang; Cen, Jiajie; ...

2018-02-05

Here, the size and morphology of metal nanoparticles (NPs) often play a critical role in defining the catalytic performance of supported metal nanocatalysts. However, common synthetic methods struggle to produce metal NPs of appropriate size and morphological control. Thus, facile synthetic methods that offer controlled catalytic functions are highly desired. Here we have identified a new pathway to synthesize supported Rh nanocatalysts with finely tuned spatial dimensions and controlled morphology using a doping-segregation method. We have analyzed their structure evolutions during both the segregation process and catalytic reaction using a variety of in situ spectroscopic and microscopic techniques. A correlationmore » between the catalytic functional sites and activity in CO 2 hydrogenation over supported Rh nanocatalysts is then established. This study demonstrates a facile strategy to design and synthesize nanocatalysts with desired catalytic functions.« less

Growth of Nanoparticles with Desired Catalytic Functions by Controlled Doping-Segregation of Metal in Oxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Qiyuan; Yan, Binhang; Cen, Jiajie

Here, the size and morphology of metal nanoparticles (NPs) often play a critical role in defining the catalytic performance of supported metal nanocatalysts. However, common synthetic methods struggle to produce metal NPs of appropriate size and morphological control. Thus, facile synthetic methods that offer controlled catalytic functions are highly desired. Here we have identified a new pathway to synthesize supported Rh nanocatalysts with finely tuned spatial dimensions and controlled morphology using a doping-segregation method. We have analyzed their structure evolutions during both the segregation process and catalytic reaction using a variety of in situ spectroscopic and microscopic techniques. A correlationmore » between the catalytic functional sites and activity in CO 2 hydrogenation over supported Rh nanocatalysts is then established. This study demonstrates a facile strategy to design and synthesize nanocatalysts with desired catalytic functions.« less

Nanocomposites biodegradable coating on BOPET films to enhance hot seal strength properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barbaro, G., E-mail: giovannibarbaro@email.it; Galdi, M. R., E-mail: mrgaldi@unisa.it; Di Maio, L., E-mail: ldimaio@unisa.it

2015-12-17

The coating technology is a strategic solution to improve the properties of flexible packaging films. Indeed, additional functional layers are often designed and added as coating on the substrate, in order to improve the characteristic of the flexible packaging and to meet the requirements for the desired gas or vapour barrier, for adhesion and sealing, or for improving the film printability, its aesthetics and durability. Moreover, this technology allows to functionalize a polymeric substrate applying materials with different chemistry, rheology, thermal and structural characteristics. BOPET films are widely used for food packaging applications thanks to their good gas barrier andmore » mechanical properties, high transparency and for the excellent printability. In regard to sealing performance, BOPET films show poor sealing properties so they are mostly submitted to lamination processes with polyethylene. Nevertheless, this solution compromises the PET recyclability and influences the gas permeability of the multilayer PET based structures. The aim of this work is to investigate on the effect of nanocomposite biodegradable coatings for BOPET substrates in enhancing the heat sealing strength of eco-compatible PET/PLA films. At this regards, different percentages of Cloisite C30B (0%, 2% and 4%{sub wt/wt}) have been added to PLA by solution intercalation technique and the nanocomposite biodegradable materials produced have been applied on BOPET commercial films by casting. The BOPET coated films have been characterized in order to evaluate the heat sealing strength and the mechanical, gas permeability and surface properties. The results have shown that the addition of nanoclay in PLA coating significantly enhance the hot tack properties of the PET/PLA system produced, while the oxygen and water vapour permeability are slightly increased if compared to pure BOPET films.« less

Nanocomposites biodegradable coating on BOPET films to enhance hot seal strength properties

NASA Astrophysics Data System (ADS)

Barbaro, G.; Galdi, M. R.; Di Maio, L.; Incarnato, L.

2015-12-01

The coating technology is a strategic solution to improve the properties of flexible packaging films. Indeed, additional functional layers are often designed and added as coating on the substrate, in order to improve the characteristic of the flexible packaging and to meet the requirements for the desired gas or vapour barrier, for adhesion and sealing, or for improving the film printability, its aesthetics and durability. Moreover, this technology allows to functionalize a polymeric substrate applying materials with different chemistry, rheology, thermal and structural characteristics. BOPET films are widely used for food packaging applications thanks to their good gas barrier and mechanical properties, high transparency and for the excellent printability. In regard to sealing performance, BOPET films show poor sealing properties so they are mostly submitted to lamination processes with polyethylene. Nevertheless, this solution compromises the PET recyclability and influences the gas permeability of the multilayer PET based structures. The aim of this work is to investigate on the effect of nanocomposite biodegradable coatings for BOPET substrates in enhancing the heat sealing strength of eco-compatible PET/PLA films. At this regards, different percentages of Cloisite C30B (0%, 2% and 4%wt/wt) have been added to PLA by solution intercalation technique and the nanocomposite biodegradable materials produced have been applied on BOPET commercial films by casting. The BOPET coated films have been characterized in order to evaluate the heat sealing strength and the mechanical, gas permeability and surface properties. The results have shown that the addition of nanoclay in PLA coating significantly enhance the hot tack properties of the PET/PLA system produced, while the oxygen and water vapour permeability are slightly increased if compared to pure BOPET films.

Erotic Language as Dramatic Action in Plays by Lyly and Shakespeare

ERIC Educational Resources Information Center

Knoll, Gillian

2012-01-01

This study closely examines the language of desire in the dramatic works of John Lyly and William Shakespeare, and argues that contemplative and analytical speeches about desire function as modes of action in their plays. Erotic speeches do more than express desire in a purely descriptive or perlocutionary capacity distinct from the action of the…

Development and validation of the Female Sexual Function Index adaptation for breast cancer patients (FSFI-BC).

PubMed

Bartula, Iris; Sherman, Kerry A

2015-08-01

Sexual dysfunction following breast cancer treatment is common and screening for this is recommended. This study determined the reliability, validity, and acceptability of a breast cancer-specific adaptation of the Female Sexual Function Index, the FSFI-BC. This new measure addresses limitations in the FSFI when assessing sexual dysfunction of women with breast cancer regarding applicability to non-sexually active women, measuring distress and changes after cancer. Female breast cancer survivors (n = 596; 429 sexually active, 166 non-sexually active) completed an online survey including demographic/medical information, the FSFI-BC, and scales measuring sexual functioning, fatigue, body image, physical and mental health, and relationship adjustment (Time 1). Three weeks later, 326 women (245 sexually active; 81 non-sexually active) completed the Time 2 survey including the FSFI-BC, and questions regarding its acceptability and perceived change in sexual functioning. Reliability, construct validity, and acceptability were examined using standard scale validation techniques. Exploratory factor analysis delineated seven factors: Changes after cancer, desire/arousal, lubrication, orgasm, pain, satisfaction, and distress, accounting for 79.98 % (sexually active) and 77.19 % (non-active) variance in responses. Acceptable internal consistencies (non-active: α = 0.71-0.96; sexually active: α = 0.89-0.96) and test-retest reliabilities (non-active: r = 0.63-0.86; sexually active: r = 0.71-0.88) were evident. Inter-scale correlations provided evidence for convergent and divergent validities of the FSFI-BC. Both sexually active and non-active women provided positive feedback about the FSFI-BC. The optional partner questions demonstrated clinical utility. With desirable psychometric properties and acceptability to participants, the FSFI-BC is suitable for screening for sexual dysfunction in women with breast cancer.

Female Sexual Victimization Among College Students: Assault Severity, Health Risk Behaviors, and Sexual Functioning.

PubMed

Turchik, Jessica A; Hassija, Christina M

2014-09-01

The purpose of the present study was to examine the relationship between college women's sexual victimization experiences, health risk behaviors, and sexual functioning. A sample of 309 college women at a mid-sized Midwestern university completed measures assessing sexual victimization, sexual risk taking, substance use behaviors, sexual desire, sexual functioning, prior sexual experiences, and social desirability. Severity of sexual victimization was measured using a multi-item, behaviorally specific, gender-neutral measure, which was divided into four categories based on severity (none, sexual contact, sexual coercion, rape). Within the sample, 72.8% (n = 225) of women reported at least one experience of sexual victimization since age 16. Results from MANCOVAs and a multinomial logistic regression, controlling for social desirability and prior sexual experience, revealed that sexual victimization among female students was related to increased drug use, problematic drinking behaviors, sexual risk taking, sexual dysfunction, and dyadic sexual desire. In addition, findings indicated that women exposed to more severe forms of sexual victimization (i.e., rape) were most likely to report these risk-taking behaviors and sexual functioning issues. Implications for sexual assault risk reduction programming and treatment are discussed. © The Author(s) 2014.

Silver iodide microstructures of a uniform towerlike shape: morphology purification via a chemical dissolution, simultaneously boosted catalytic durability, and enhanced catalytic performances.

PubMed

Lei, Bin; Zhu, Mingshan; Chen, Penglei; Chen, Chuncheng; Ma, Wanhong; Li, Tiesheng; Liu, Minghua

2014-03-26

The fabrication of microstructures/nanostructures of a uniform yet well-defined morphology has attracted broad interest from a variety of fields of advanced functional materials, especially catalysts. Most of the conventional methods generally suffer from harsh synthesis conditions, requirement of bulky apparatus, or incapability of scalable production, etc. To meet these formidable challenges, it is strongly desired to develop a facile, cost-effective, scalable method to fulfill a morphology purification. By a precipitation reaction between AgNO3 and KI, we report that irregular AgI structures, or their mixture with towerlike AgI architectures could be fabricated. Compared to the former, the mixed structures exhibit enhanced catalytic reactivity toward the photodegradation of Methyl Orange pollutant. However, its catalytic durability, which is one of the most crucial criteria that are required by superior catalysts, is poor. We further show that the irregular structures could be facilely removed from the mixture via a KI-assisted chemical dissolution, producing AgI of a uniform towerlike morphology. Excitingly, after such simple morphology purification, our towerlike AgI displays not only a boosted catalytic durability but also an enhanced catalytic reactivity. Our chemical dissolution-based morphology purification protocol might be extended to other systems, wherein high-quality advanced functional materials of desired properties might be developed.

Towards band structure and band offset engineering of monolayer Mo(1-x)W(x)S2 via Strain

NASA Astrophysics Data System (ADS)

Kim, Joon-Seok; Ahmad, Rafia; Pandey, Tribhuwan; Rai, Amritesh; Feng, Simin; Yang, Jing; Lin, Zhong; Terrones, Mauricio; Banerjee, Sanjay K.; Singh, Abhishek K.; Akinwande, Deji; Lin, Jung-Fu

2018-01-01

Semiconducting transition metal dichalcogenides (TMDs) demonstrate a wide range of optoelectronic properties due to their diverse elemental compositions, and are promising candidates for next-generation optoelectronics and energy harvesting devices. However, effective band offset engineering is required to implement practical structures with desirable functionalities. Here, we explore the pressure-induced band structure evolution of monolayer WS2 and Mo0.5W0.5S2 using hydrostatic compressive strain applied in a diamond anvil cell (DAC) apparatus and theoretical calculations, in order to study the modulation of band structure and explore the possibility of band alignment engineering through different compositions. Higher W composition in Mo(1-x)W(x)S2 contributes to a greater pressure-sensitivity of direct band gap opening, with a maximum value of 54 meV GPa-1 in WS2. Interestingly, while the conduction band minima (CBMs) remains largely unchanged after the rapid gap increase, valence band maxima (VBMs) significantly rise above the initial values. It is suggested that the pressure- and composition-engineering could introduce a wide variety of band alignments including type I, type II, and type III heterojunctions, and allow to construct precise structures with desirable functionalities. No structural transition is observed during the pressure experiments, implying the pressure could provide selective modulation of band offset.

Seeing with the nano-eye: accessing structure, function, and dynamics of matter on its natural length and time scales

NASA Astrophysics Data System (ADS)

Raschke, Markus

2015-03-01

To understand and ultimately control the properties of most functional materials, from molecular soft-matter to quantum materials, requires access to the structure, coupling, and dynamics on the elementary time and length scales that define the microscopic interactions in these materials. To gain the desired nanometer spatial resolution with simultaneous spectroscopic specificity we combine scanning probe microscopy with different optical, including coherent, nonlinear, and ultrafast spectroscopies. The underlying near-field interaction mediated by the atomic-force or scanning tunneling microscope tip provides the desired deep-sub wavelength nano-focusing enabling few-nm spatial resolution. I will introduce our generalization of the approach in terms of the near-field impedance matching to a quantum system based on special optical antenna-tip designs. The resulting enhanced and qualitatively new forms of light-matter interaction enable measurements of quantum dynamics in an interacting environment or to image the electromagnetic local density of states of thermal radiation. Other applications include the inter-molecular coupling and dynamics in soft-matter hetero-structures, surface plasmon interferometry as a probe of electronic structure and dynamics in graphene, and quantum phase transitions in correlated electron materials. These examples highlight the general applicability of the new near-field microscopy approach, complementing emergent X-ray and electron imaging tools, aiming towards the ultimate goal of probing matter on its most elementary spatio-temporal level.

Synthesis and Characterization of Functionalized Metal-organic Frameworks

PubMed Central

Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.

2014-01-01

Metal-organic frameworks have attracted extraordinary amounts of research attention, as they are attractive candidates for numerous industrial and technological applications. Their signature property is their ultrahigh porosity, which however imparts a series of challenges when it comes to both constructing them and working with them. Securing desired MOF chemical and physical functionality by linker/node assembly into a highly porous framework of choice can pose difficulties, as less porous and more thermodynamically stable congeners (e.g., other crystalline polymorphs, catenated analogues) are often preferentially obtained by conventional synthesis methods. Once the desired product is obtained, its characterization often requires specialized techniques that address complications potentially arising from, for example, guest-molecule loss or preferential orientation of microcrystallites. Finally, accessing the large voids inside the MOFs for use in applications that involve gases can be problematic, as frameworks may be subject to collapse during removal of solvent molecules (remnants of solvothermal synthesis). In this paper, we describe synthesis and characterization methods routinely utilized in our lab either to solve or circumvent these issues. The methods include solvent-assisted linker exchange, powder X-ray diffraction in capillaries, and materials activation (cavity evacuation) by supercritical CO2 drying. Finally, we provide a protocol for determining a suitable pressure region for applying the Brunauer-Emmett-Teller analysis to nitrogen isotherms, so as to estimate surface area of MOFs with good accuracy. PMID:25225784

Electronic structures and enhanced optical properties of blue phosphorene/transition metal dichalcogenides van der Waals heterostructures.

PubMed

Peng, Qiong; Wang, Zhenyu; Sa, Baisheng; Wu, Bo; Sun, Zhimei

2016-08-24

As a fast emerging topic, van der Waals (vdW) heterostructures have been proposed to modify two-dimensional layered materials with desired properties, thus greatly extending the applications of these materials. In this work, the stacking characteristics, electronic structures, band edge alignments, charge density distributions and optical properties of blue phosphorene/transition metal dichalcogenides (BlueP/TMDs) vdW heterostructures were systematically studied based on vdW corrected density functional theory. Interestingly, the valence band maximum and conduction band minimum are located in different parts of BlueP/MoSe2, BlueP/WS2 and BlueP/WSe2 heterostructures. The MoSe2, WS2 or WSe2 layer can be used as the electron donor and the BlueP layer can be used as the electron acceptor. We further found that the optical properties under visible-light irradiation of BlueP/TMDs vdW heterostructures are significantly improved. In particular, the predicted upper limit energy conversion efficiencies of BlueP/MoS2 and BlueP/MoSe2 heterostructures reach as large as 1.16% and 0.98%, respectively, suggesting their potential applications in efficient thin-film solar cells and optoelectronic devices.

Revealing nanoparticle assembly under high pressure.

NASA Astrophysics Data System (ADS)

Fan, Hongyou

Precise control of structural parameters through nanoscale engineering to improve optical and electronic properties of functional nanoparticles continuously remains an outstanding challenge. Previous work on nanoparticle assembly has been conducted largely at ambient pressure. Here I will present a new Stress-Induced Fabrication method in which we applied high pressure or stress to nanoparticle arrays to induce structural phase transition and to consolidate new nanomaterials with precisely controlled structures and tunable properties. By manipulating nanoparticle coupling through external pressure, a reversible change in their assemblies and properties can be achieved and demonstrated. In addition, over a certain threshold, the external pressure will force these nanoparticles into contact, thereby allowing the formation and consolidation of one- to three-dimensional nanostructures. Through stress induced nanoparticle assembly, materials engineering and synthesis become remarkably flexible without relying on traditional crystallization process where atoms/ions are locked in a specific crystal structure. Therefore, morphology or architecture can be readily tuned to produce desirable properties for practical applications. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Phosphorescent Iridium(III) Complexes Bearing Fluorinated Aromatic Sulfonyl Group with Nearly Unity Phosphorescent Quantum Yields and Outstanding Electroluminescent Properties.

PubMed

Zhao, Jiang; Yu, Yue; Yang, Xiaolong; Yan, Xiaogang; Zhang, Huiming; Xu, Xianbin; Zhou, Guijiang; Wu, Zhaoxin; Ren, Yixia; Wong, Wai-Yeung

2015-11-11

A series of heteroleptic functional Ir(III) complexes bearing different fluorinated aromatic sulfonyl groups has been synthesized. Their photophysical features, electrochemical behaviors, and electroluminescent (EL) properties have been characterized in detail. These complexes emit intense yellow phosphorescence with exceptionally high quantum yields (ΦP > 0.9) at room temperature, and the emission maxima of these complexes can be finely tuned depending upon the number of the fluorine substituents on the pendant phenyl ring of the sulfonyl group. Furthermore, the electrochemical properties and electron injection/transporting (EI/ET) abilities of these Ir(III) phosphors can also be effectively tuned by the fluorinated aromatic sulfonyl group to furnish some desired characters for enhancing the EL performance. Hence, the maximum luminance efficiency (ηL) of 81.2 cd A(-1), corresponding to power efficiency (ηP) of 64.5 lm W(-1) and external quantum efficiency (ηext) of 19.3%, has been achieved, indicating the great potential of these novel phosphors in the field of organic light-emitting diodes (OLEDs). Furthermore, a clear picture has been drawn for the relationship between their optoelectronic properties and chemical structures. These results should provide important information for developing highly efficient phosphors.

Interfacial energetics of two-dimensional colloidal clusters generated with a tunable anharmonic interaction potential

NASA Astrophysics Data System (ADS)

Hilou, Elaa; Du, Di; Kuei, Steve; Biswal, Sibani Lisa

2018-02-01

Interfacial characteristics are critical to various properties of two-dimensional (2D) materials such as band alignment at a heterojunction and nucleation kinetics in a 2D crystal. Despite the desire to harness these enhanced interfacial properties for engineering new materials, unexpected phase transitions and defects, unique to the 2D morphology, have left a number of open questions. In particular, the effects of configurational anisotropy, which are difficult to isolate experimentally, and their influence on interfacial properties are not well understood. In this work, we begin to probe this structure-thermodynamic relationship, using a rotating magnetic field to generate an anharmonic interaction potential in a 2D system of paramagnetic particles. At low magnetic field strengths, weakly interacting colloidal particles form non-close-packed, fluidlike droplets, whereas, at higher field strengths, crystallites with hexagonal ordering are observed. We examine spatial and interfacial properties of these 2D colloidal clusters by measuring the local bond orientation order parameter and interfacial stiffness as a function of the interaction strength. To our knowledge, this is the first study to measure the tunable interfacial stiffness of a 2D colloidal cluster by controlling particle interactions using external fields.

The low-temperature scintillation properties of bismuth germanate and its application to high-energy gamma radiation imaging devices.

PubMed

Piltingsrud, H V

1979-12-01

Bismuth germanate is a scintillation material with very high z, and high density (7.13 g/cm3). It is a rugged, nonhygroscopic, crystalline material with room-temperature scintillation properties described by previous investigators as having a light yield approximately 8% of that of NaI(Tl), emission peak at approximately 480 nm, decay constant of 0.3 microsec, and energy resolution congruent to 15% (FWHM) for Cs-137 gamma radiations. These properties make it an excellent candidate for applications involving the detection of high-energy gamma photons and positron annihilation radiation, particularly when good spatial resolution is desired. At room temperature, however, the application of this material is somewhat limited by low light output and poor energy resolution. This paper presents new data on the scintillation properties of bismuth germanate as a function of temperature from -- 196 degrees C to j0 degrees C. Low-temperature use of the material is shown to greatly improve its light yield and energy resolution. The implications of this work to the design of imaging devices for high-energy radiation in health physics and nuclear medicine are discussed.

Nanopaper as an Optical Sensing Platform.

PubMed

Morales-Narváez, Eden; Golmohammadi, Hamed; Naghdi, Tina; Yousefi, Hossein; Kostiv, Uliana; Horák, Daniel; Pourreza, Nahid; Merkoçi, Arben

2015-07-28

Bacterial cellulose nanopaper (BC) is a multifunctional material known for numerous desirable properties: sustainability, biocompatibility, biodegradability, optical transparency, thermal properties, flexibility, high mechanical strength, hydrophilicity, high porosity, broad chemical-modification capabilities and high surface area. Herein, we report various nanopaper-based optical sensing platforms and describe how they can be tuned, using nanomaterials, to exhibit plasmonic or photoluminescent properties that can be exploited for sensing applications. We also describe several nanopaper configurations, including cuvettes, plates and spots that we printed or punched on BC. The platforms include a colorimetric-based sensor based on nanopaper containing embedded silver and gold nanoparticles; a photoluminescent-based sensor, comprising CdSe@ZnS quantum dots conjugated to nanopaper; and a potential up-conversion sensing platform constructed from nanopaper functionalized with NaYF4:Yb(3+)@Er(3+)&SiO2 nanoparticles. We have explored modulation of the plasmonic or photoluminescent properties of these platforms using various model biologically relevant analytes. Moreover, we prove that BC is and advantageous preconcentration platform that facilitates the analysis of small volumes of optically active materials (∼4 μL). We are confident that these platforms will pave the way to optical (bio)sensors or theranostic devices that are simple, transparent, flexible, disposable, lightweight, miniaturized and perhaps wearable.

Cellulose nanocrystal/polyolefin biocomposites prepared by solid-state shear pulverization: Superior dispersion leading to synergistic property enhancements

Treesearch

Krishnan A. Iyer; Gregory T. Schueneman; John M. Torkelson

2015-01-01

Cellulose nanocrystals (CNCs), a class of renewable bionanomaterials with excellent mechanical properties, have gained major interest as filler for polymers. However, challenges associated with effective CNC dispersion have hindered the production of composites with desired property enhancements. Here, composites of polypropylene (PP) and low density polyethylene (LDPE...

Process-based network decomposition reveals backbone motif structure

PubMed Central

Wang, Guanyu; Du, Chenghang; Chen, Hao; Simha, Rahul; Rong, Yongwu; Xiao, Yi; Zeng, Chen

2010-01-01

A central challenge in systems biology today is to understand the network of interactions among biomolecules and, especially, the organizing principles underlying such networks. Recent analysis of known networks has identified small motifs that occur ubiquitously, suggesting that larger networks might be constructed in the manner of electronic circuits by assembling groups of these smaller modules. Using a unique process-based approach to analyzing such networks, we show for two cell-cycle networks that each of these networks contains a giant backbone motif spanning all the network nodes that provides the main functional response. The backbone is in fact the smallest network capable of providing the desired functionality. Furthermore, the remaining edges in the network form smaller motifs whose role is to confer stability properties rather than provide function. The process-based approach used in the above analysis has additional benefits: It is scalable, analytic (resulting in a single analyzable expression that describes the behavior), and computationally efficient (all possible minimal networks for a biological process can be identified and enumerated). PMID:20498084

Templated Assembly of a Functional Ordered Protein Macromolecular Framework from P22 Virus-like Particles.

PubMed

McCoy, Kimberly; Uchida, Masaki; Lee, Byeongdu; Douglas, Trevor

2018-04-24

Bottom-up construction of mesoscale materials using biologically derived nanoscale building blocks enables engineering of desired physical properties using green production methods. Virus-like particles (VLPs) are exceptional building blocks due to their monodispersed sizes, geometric shapes, production ease, proteinaceous composition, and our ability to independently functionalize the interior and exterior interfaces. Here a VLP, derived from bacteriophage P22, is used as a building block for the fabrication of a protein macromolecular framework (PMF), a tightly linked 3D network of functional protein cages that exhibit long-range order and catalytic activity. Assembly of PMFs was electrostatically templated, using amine-terminated dendrimers, then locked into place with a ditopic cementing protein that binds to P22. Long-range order is preserved on removal of the dendrimer, leaving a framework material composed completely of protein. Encapsulation of β-glucosidase enzymes inside of P22 VLPs results in formation of stable, condensed-phase materials with high local concentration of enzymes generating catalytically active PMFs.

Synthesis of atmospheric turbulence point spread functions by sparse and redundant representations

NASA Astrophysics Data System (ADS)

Hunt, Bobby R.; Iler, Amber L.; Bailey, Christopher A.; Rucci, Michael A.

2018-02-01

Atmospheric turbulence is a fundamental problem in imaging through long slant ranges, horizontal-range paths, or uplooking astronomical cases through the atmosphere. An essential characterization of atmospheric turbulence is the point spread function (PSF). Turbulence images can be simulated to study basic questions, such as image quality and image restoration, by synthesizing PSFs of desired properties. In this paper, we report on a method to synthesize PSFs of atmospheric turbulence. The method uses recent developments in sparse and redundant representations. From a training set of measured atmospheric PSFs, we construct a dictionary of "basis functions" that characterize the atmospheric turbulence PSFs. A PSF can be synthesized from this dictionary by a properly weighted combination of dictionary elements. We disclose an algorithm to synthesize PSFs from the dictionary. The algorithm can synthesize PSFs in three orders of magnitude less computing time than conventional wave optics propagation methods. The resulting PSFs are also shown to be statistically representative of the turbulence conditions that were used to construct the dictionary.

Polypyrrole membranes as scaffolds for biomolecule immobilization

NASA Astrophysics Data System (ADS)

Hery, Travis M.; Satagopan, Sriram; Northcutt, Robert G.; Tabita, F. Robert; Sundaresan, Vishnu-Baba

2016-12-01

Enzymes have evolved over hundreds of years through changes in ecosystems (climate, atmosphere, hydrology, etc). The evolutionary changes driven by the need to survive has led to enzymes with diverse functionality such as reduction of carbon dioxide and methane to other forms of carbon, fixation of nitrogen, and high temperature biochemical processes. While these enzymes have useful properties, engineering a scalable cell-free system with these enzymes will be useful for stable production of desired products without involving the vagaries of cellular metabolism. This article presents various approaches to incorporate ribulose-1,5-bisphosphate carboxylase/oxygenase (RuBisCO) in a conducting polymer (polypyrrole (PPy)) doped with a bulky anion (dodecylbenzenesulfonate (DBS)) in an effort to create functional devices for the conversion of carbon dioxide into precursors for high-value chemicals. We demonstrate that the tailored device creates an environment where the enzyme can retain its function while being protected from denaturing conditions. It is envisioned that the 3-PGA produced by RuBisCO will be converted into value-added products.

Durable vesicles for reconstitution of membrane proteins in biotechnology.

PubMed

Beales, Paul A; Khan, Sanobar; Muench, Stephen P; Jeuken, Lars J C

2017-02-08

The application of membrane proteins in biotechnology requires robust, durable reconstitution systems that enhance their stability and support their functionality in a range of working environments. Vesicular architectures are highly desirable to provide the compartmentalisation to utilise the functional transmembrane transport and signalling properties of membrane proteins. Proteoliposomes provide a native-like membrane environment to support membrane protein function, but can lack the required chemical and physical stability. Amphiphilic block copolymers can also self-assemble into polymersomes: tough vesicles with improved stability compared with liposomes. This review discusses the reconstitution of membrane proteins into polymersomes and the more recent development of hybrid vesicles, which blend the robust nature of block copolymers with the biofunctionality of lipids. These novel synthetic vesicles hold great promise for enabling membrane proteins within biotechnologies by supporting their enhanced in vitro performance and could also contribute to fundamental biochemical and biophysical research by improving the stability of membrane proteins that are challenging to work with. © 2017 The Author(s).

32 CFR 756.3 - Notification.

Code of Federal Regulations, 2014 CFR

2014-07-01

... as flying clubs, carry private commercial insurance to protect them from claims for property damage... Composite Insurance Program, if desired: Child welfare centers, billeting funds, chapel funds, and civilian welfare funds. (c) When the operations of NAFI's result in property damage or personal injury, the...

32 CFR 756.3 - Notification.

Code of Federal Regulations, 2011 CFR

2011-07-01

... as flying clubs, carry private commercial insurance to protect them from claims for property damage... Composite Insurance Program, if desired: Child welfare centers, billeting funds, chapel funds, and civilian welfare funds. (c) When the operations of NAFI's result in property damage or personal injury, the...

32 CFR 756.3 - Notification.

Code of Federal Regulations, 2010 CFR

2010-07-01

... as flying clubs, carry private commercial insurance to protect them from claims for property damage... Composite Insurance Program, if desired: Child welfare centers, billeting funds, chapel funds, and civilian welfare funds. (c) When the operations of NAFI's result in property damage or personal injury, the...

32 CFR 756.3 - Notification.

Code of Federal Regulations, 2012 CFR

2012-07-01

... as flying clubs, carry private commercial insurance to protect them from claims for property damage... Composite Insurance Program, if desired: Child welfare centers, billeting funds, chapel funds, and civilian welfare funds. (c) When the operations of NAFI's result in property damage or personal injury, the...

32 CFR 756.3 - Notification.

Code of Federal Regulations, 2013 CFR

2013-07-01

... as flying clubs, carry private commercial insurance to protect them from claims for property damage... Composite Insurance Program, if desired: Child welfare centers, billeting funds, chapel funds, and civilian welfare funds. (c) When the operations of NAFI's result in property damage or personal injury, the...

Elastic nonwovens containing cotton fibers

USDA-ARS?s Scientific Manuscript database

Nonwoven products continue to grow because of their unique structure and properties and one’s ability to engineer their properties for desired applications, which include filters, absorbent products and medical nonwovens. Meltblowing is a one-step process in which high-velocity hot air blows a molte...

Chimeric Peptides as Implant Functionalization Agents for Titanium Alloy Implants with Antimicrobial Properties

NASA Astrophysics Data System (ADS)

Yucesoy, Deniz T.; Hnilova, Marketa; Boone, Kyle; Arnold, Paul M.; Snead, Malcolm L.; Tamerler, Candan

2015-04-01

Implant-associated infections can have severe effects on the longevity of implant devices and they also represent a major cause of implant failures. Treating these infections associated with implants by antibiotics is not always an effective strategy due to poor penetration rates of antibiotics into biofilms. Additionally, emerging antibiotic resistance poses serious concerns. There is an urge to develop effective antibacterial surfaces that prevent bacterial adhesion and proliferation. A novel class of bacterial therapeutic agents, known as antimicrobial peptides (AMPs), are receiving increasing attention as an unconventional option to treat septic infection, partly due to their capacity to stimulate innate immune responses and for the difficulty of microorganisms to develop resistance towards them. While host and bacterial cells compete in determining the ultimate fate of the implant, functionalization of implant surfaces with AMPs can shift the balance and prevent implant infections. In the present study, we developed a novel chimeric peptide to functionalize the implant material surface. The chimeric peptide simultaneously presents two functionalities, with one domain binding to a titanium alloy implant surface through a titanium-binding domain while the other domain displays an antimicrobial property. This approach gains strength through control over the bio-material interfaces, a property built upon molecular recognition and self-assembly through a titanium alloy binding domain in the chimeric peptide. The efficiency of chimeric peptide both in-solution and absorbed onto titanium alloy surface was evaluated in vitro against three common human host infectious bacteria, Streptococcus mutans, Staphylococcus epidermidis, and Escherichia coli. In biological interactions such as occur on implants, it is the surface and the interface that dictate the ultimate outcome. Controlling the implant surface by creating an interface composed chimeric peptides may therefore open up new possibilities to modify the implant site and tailor it to a desirable bioactivity.

Gene Composer: database software for protein construct design, codon engineering, and gene synthesis

PubMed Central

Lorimer, Don; Raymond, Amy; Walchli, John; Mixon, Mark; Barrow, Adrienne; Wallace, Ellen; Grice, Rena; Burgin, Alex; Stewart, Lance

2009-01-01

Background To improve efficiency in high throughput protein structure determination, we have developed a database software package, Gene Composer, which facilitates the information-rich design of protein constructs and their codon engineered synthetic gene sequences. With its modular workflow design and numerous graphical user interfaces, Gene Composer enables researchers to perform all common bio-informatics steps used in modern structure guided protein engineering and synthetic gene engineering. Results An interactive Alignment Viewer allows the researcher to simultaneously visualize sequence conservation in the context of known protein secondary structure, ligand contacts, water contacts, crystal contacts, B-factors, solvent accessible area, residue property type and several other useful property views. The Construct Design Module enables the facile design of novel protein constructs with altered N- and C-termini, internal insertions or deletions, point mutations, and desired affinity tags. The modifications can be combined and permuted into multiple protein constructs, and then virtually cloned in silico into defined expression vectors. The Gene Design Module uses a protein-to-gene algorithm that automates the back-translation of a protein amino acid sequence into a codon engineered nucleic acid gene sequence according to a selected codon usage table with minimal codon usage threshold, defined G:C% content, and desired sequence features achieved through synonymous codon selection that is optimized for the intended expression system. The gene-to-oligo algorithm of the Gene Design Module plans out all of the required overlapping oligonucleotides and mutagenic primers needed to synthesize the desired gene constructs by PCR, and for physically cloning them into selected vectors by the most popular subcloning strategies. Conclusion We present a complete description of Gene Composer functionality, and an efficient PCR-based synthetic gene assembly procedure with mis-match specific endonuclease error correction in combination with PIPE cloning. In a sister manuscript we present data on how Gene Composer designed genes and protein constructs can result in improved protein production for structural studies. PMID:19383142

Gene composer: database software for protein construct design, codon engineering, and gene synthesis.

PubMed

Lorimer, Don; Raymond, Amy; Walchli, John; Mixon, Mark; Barrow, Adrienne; Wallace, Ellen; Grice, Rena; Burgin, Alex; Stewart, Lance

2009-04-21

To improve efficiency in high throughput protein structure determination, we have developed a database software package, Gene Composer, which facilitates the information-rich design of protein constructs and their codon engineered synthetic gene sequences. With its modular workflow design and numerous graphical user interfaces, Gene Composer enables researchers to perform all common bio-informatics steps used in modern structure guided protein engineering and synthetic gene engineering. An interactive Alignment Viewer allows the researcher to simultaneously visualize sequence conservation in the context of known protein secondary structure, ligand contacts, water contacts, crystal contacts, B-factors, solvent accessible area, residue property type and several other useful property views. The Construct Design Module enables the facile design of novel protein constructs with altered N- and C-termini, internal insertions or deletions, point mutations, and desired affinity tags. The modifications can be combined and permuted into multiple protein constructs, and then virtually cloned in silico into defined expression vectors. The Gene Design Module uses a protein-to-gene algorithm that automates the back-translation of a protein amino acid sequence into a codon engineered nucleic acid gene sequence according to a selected codon usage table with minimal codon usage threshold, defined G:C% content, and desired sequence features achieved through synonymous codon selection that is optimized for the intended expression system. The gene-to-oligo algorithm of the Gene Design Module plans out all of the required overlapping oligonucleotides and mutagenic primers needed to synthesize the desired gene constructs by PCR, and for physically cloning them into selected vectors by the most popular subcloning strategies. We present a complete description of Gene Composer functionality, and an efficient PCR-based synthetic gene assembly procedure with mis-match specific endonuclease error correction in combination with PIPE cloning. In a sister manuscript we present data on how Gene Composer designed genes and protein constructs can result in improved protein production for structural studies.

Multidimensional display controller for displaying to a user an aspect of a multidimensional space visible from a base viewing location along a desired viewing orientation

DOEpatents

Davidson, George S.; Anderson, Thomas G.

2001-01-01

A display controller allows a user to control a base viewing location, a base viewing orientation, and a relative viewing orientation. The base viewing orientation and relative viewing orientation are combined to determine a desired viewing orientation. An aspect of a multidimensional space visible from the base viewing location along the desired viewing orientation is displayed to the user. The user can change the base viewing location, base viewing orientation, and relative viewing orientation by changing the location or other properties of input objects.

Design and preparation of plant oil-based polymers and their applications

NASA Astrophysics Data System (ADS)

Ahn, Byung-Jun Kollbe

Renewable materials are desirable for many applications due to the finite fossil resources and environmental issues. Plant oil is one of the most promising renewable feedstocks. Plant oils and functionalized oleo-chemicals including functionalized soybean oils have become attractive sustainable chemicals for industrial applications. Especially, epoxidized oleo-chemicals such as epoxidized soybean oil (ESO) are one of the most well-known readily available inexpensive functionalized plant oils. In this study, novel polymers and nanocomposites for sustainable materials applications were designed and prepared via ring-opening of epoxide in plant oils, and their chemical and physical properties were characterized. The novel transparent elastomers derived from functionalized plant oils have a great potential as flexible electronic and biological applications with their inherent low toxicity. Especially, their rheological properties showed a potential for pressure sensitive adhesives (PSAs). The dominant thermal stability and transparency were obtained via green processing: one pot, single step, fast reactions in moderate conditions, or solvent-free UV curing conditions. These oleo-based elastomers presented excellent end-use properties for PSAs application comparable to commercial PSA tapes. Based on the principal chemical studies, the roles of the each component have been identified: polymer derived from the ring-opening of epoxides as an elastomer, and dihydroxylated triglycerides as a tackifier. Their interaction was also elucidated with an element label analysis. The mechanical and rheological properties of the oleo-polymer as PSAs were able to be improved with a rosin ester tackifier. In addition, biogreases and bio-thermoplastics were developed via the environmentally benign process, which will contribute to further application on the production of new bio-based materials. Further, this study essays a novel acid functionalized iron/iron oxide nanoparticles catalyst with excellent product yields for epoxide ring opening of oleochemicals for a greener synthetic method of biopolyols, and excellent environmental benefits with life cycle assessment of syntheses. Those functionalized iron/iron oxide core shell nanoparticles catalysts has great potential for biomedical engineering process with the highest magnetization of Fe(0) core among all metals.

Functional surface engineering of C-dots for fluorescent biosensing and in vivo bioimaging.

PubMed

Ding, Changqin; Zhu, Anwei; Tian, Yang

2014-01-21

Nanoparticles are promising scaffolds for applications such as imaging, chemical sensors and biosensors, diagnostics, drug delivery, catalysis, energy, photonics, medicine, and more. Surface functionalization of nanoparticles introduces an additional dimension in controlling nanoparticle interfacial properties and provides an effective bridge to connect nanoparticles to biological systems. With fascinating photoluminescence properties, carbon dots (C-dots), carbon-containing nanoparticles that are attracting considerable attention as a new type of quantum dot, are becoming both an important class of imaging probes and a versatile platform for engineering multifunctional nanosensors. In order to transfer C-dots from proof-of-concept studies toward real world applications such as in vivo bioimaging and biosensing, careful design and engineering of C-dot probes is becoming increasingly important. A comprehensive knowledge of how C-dot surfaces with various properties behave is essential for engineering C-dots with useful imaging properties such as high quantum yield, stability, and low toxicity, and with desirable biosensing properties such as high selectivity, sensitivity, and accuracy. Several reviews in recent years have reported preparation methods and properties of C-dots and described their application in biosensors, catalysis, photovoltatic cells, and more. However, no one has yet systematically summarized the surface engineering of C-dots, nor the use of C-dots as fluorescent nanosensors or probes for in vivo imaging in cells, tissues, and living organisms. In this Account, we discuss the major design principles and criteria for engineering the surface functionality of C-dots for biological applications. These criteria include brightness, long-term stability, and good biocompatibility. We review recent developments in designing C-dot surfaces with various functionalities for use as nanosensors or as fluorescent probes with fascinating analytical performance, and we emphasize applications in bioimaging and biosensing in live cells, tissues, and animals. In addition, we highlight our work on the design and synthesis of a C-dot ratiometric biosensor for intracellular Cu(2+) detection, and a twophoton fluorescent probe for pH measurement in live cells and tissues. We conclude this Account by outlining future directions in engineering the functional surface of C-dots for a variety of in vivo imaging applications, including dots with combined targeting, imaging and therapeutic-delivery capabilities, or high-resolution multiplexed vascular imaging. With each application C-dots should open new horizons of multiplexed quantitative detection, high-resolution fluorescence imaging, and long-term, real-time monitoring of their target.

Physical consistency of subgrid-scale models for large-eddy simulation of incompressible turbulent flows

NASA Astrophysics Data System (ADS)

Silvis, Maurits H.; Remmerswaal, Ronald A.; Verstappen, Roel

2017-01-01

We study the construction of subgrid-scale models for large-eddy simulation of incompressible turbulent flows. In particular, we aim to consolidate a systematic approach of constructing subgrid-scale models, based on the idea that it is desirable that subgrid-scale models are consistent with the mathematical and physical properties of the Navier-Stokes equations and the turbulent stresses. To that end, we first discuss in detail the symmetries of the Navier-Stokes equations, and the near-wall scaling behavior, realizability and dissipation properties of the turbulent stresses. We furthermore summarize the requirements that subgrid-scale models have to satisfy in order to preserve these important mathematical and physical properties. In this fashion, a framework of model constraints arises that we apply to analyze the behavior of a number of existing subgrid-scale models that are based on the local velocity gradient. We show that these subgrid-scale models do not satisfy all the desired properties, after which we explain that this is partly due to incompatibilities between model constraints and limitations of velocity-gradient-based subgrid-scale models. However, we also reason that the current framework shows that there is room for improvement in the properties and, hence, the behavior of existing subgrid-scale models. We furthermore show how compatible model constraints can be combined to construct new subgrid-scale models that have desirable properties built into them. We provide a few examples of such new models, of which a new model of eddy viscosity type, that is based on the vortex stretching magnitude, is successfully tested in large-eddy simulations of decaying homogeneous isotropic turbulence and turbulent plane-channel flow.

Fabrication of Polylactide Nanocomposite Filament Using Melt Extrusion and Filament Characterization for 3D Printing

NASA Astrophysics Data System (ADS)

Jain, Shrenik Kumar

Fused deposition modeling (FDM) technology uses thermoplastic filament for layer by layer fabrication of objects. To make functional objects with desired properties, composite filaments are required in the FDM. In this thesis, less expensive mesoporous Nano carbon (NC) and carbon nanotube (CNT) infused in Polylactide (PLA) thermoplastic filaments were fabricated to improve the electrical properties and maintain sufficient strength for 3D printing. Solution blending was used for nanocomposite fabrication and melt extrusion was employed to make cylindrical filaments. Mechanical and electrical properties of 1 to 20 wt% of NC and 1 to 3 wt% of CNT filaments were investigated and significant improvement of conductivity (3.76 S/m) and sufficient yield strength (35MPa) were obtained. Scanning electron microscopy (SEM) images exhibited uniform dispersion of nanoparticles in polymer matrix and differential scanning calorimetry (DSC) results showed no significant changes in the glass transition temperature (Tg) for all the compositions. Perspective uses of this filament are for fabrication of electrical wires in 3D printed robots, drones, prosthetics, orthotics and others.

A new generation of effective core potentials for correlated calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

A new generation of effective core potentials for correlated calculations

DOE PAGES

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani; ...

2017-12-12

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

A multi-criteria decision making approach to identify a vaccine formulation.

PubMed

Dewé, Walthère; Durand, Christelle; Marion, Sandie; Oostvogels, Lidia; Devaster, Jeanne-Marie; Fourneau, Marc

2016-01-01

This article illustrates the use of a multi-criteria decision making approach, based on desirability functions, to identify an appropriate adjuvant composition for an influenza vaccine to be used in elderly. The proposed adjuvant system contained two main elements: monophosphoryl lipid and α-tocopherol with squalene in an oil/water emulsion. The objective was to elicit a stronger immune response while maintaining an acceptable reactogenicity and safety profile. The study design, the statistical models, the choice of the desirability functions, the computation of the overall desirability index, and the assessment of the robustness of the ranking are all detailed in this manuscript.

Luminomagnetic Eu3+- and Dy3+-doped hydroxyapatite for multimodal imaging.

PubMed

Tesch, Annemarie; Wenisch, Christoph; Herrmann, Karl-Heinz; Reichenbach, Jürgen R; Warncke, Paul; Fischer, Dagmar; Müller, Frank A

2017-12-01

Multimodal imaging has recently attracted much attention due to the advantageous combination of different imaging modalities, like photoluminescence (PL) and magnetic resonance imaging (MRI). In the present study, luminescent and magnetic hydroxyapatites (HAp) were prepared via doping with europium (Eu 3+ ) and dysprosium (Dy 3+ ), respectively. Co-doping of Eu 3+ and Dy 3+ was used to combine the desired physical properties. Both lanthanide ions were successfully incorporated in the HAp crystal lattice, where they preferentially occupied calcium(I) sites. While Eu-doped HAp (Eu:HAp) exhibits dopant concentration dependent persistent PL properties, Dy-doped HAp (Dy:HAp) shows paramagnetic behavior due to the high magnetic moment of Dy 3+ . Co-doped HAp (Eu:Dy:HAp) nanoparticles combine both properties in one single crystal. Remarkably, multimodal co-doped HAp features enhanced PL properties due to an energy transfer from Dy 3+ sensitizer to Eu 3+ activator ions. Eu:Dy:HAp exhibits strong transverse relaxation effects with a maximum transverse relaxivity of 83.3L/(mmol·s). Due to their tunable PL, magnetic properties and cytocompatibility Eu:-, Dy:- and Eu:Dy:HAp represent promising biocompatible ceramic materials for luminescence imaging that simultaneously may serve as a contrast agent for MRI in permanent implants or functional coatings. Copyright © 2017 Elsevier B.V. All rights reserved.

Modification of the electronic properties of hexagonal boron-nitride in BN/graphene vertical heterostructures

DOE PAGES

Pan, Minghu; Liang, Liangbo; Lin, Wenzhi; ...

2016-09-28

Van der Waals (vdW) heterostructures consist of isolated atomic planar structures, assembled layer- by-layer into desired structures in a well-defined sequence. Graphene deposited on hexagonal boron nitride (h-BN) has been first considered as a testbed system for vdW heterostructures, and many others have been demonstrated both theoretically and experimentally, revealing many attractive properties and phenomena. However, much less emphasis has been placed on how graphene actively affects h-BN properties. Here, we perform local probe measurements on single-layer h-BN grown over graphene and highlight the manifestation of a proximity effect that significantly affects the electronic properties of h-BN due to itsmore » coupling with the underlying graphene. We find electronic states originating from the graphene layer and the Cu substrate to be injected into the wide electronic gap of the h-BN top layer. Such proximity effect is further confirmed in a study of the variation of h-BN in-gap states with interlayer couplings, elucidated using a combination of topographical/ spectroscopic measurements and first-principles density functional theory calculations. In conclusion, the findings of this work indicate the potential of mutually engineering electronic properties of the components of vdW heterostructures.« less

Discrimination of orange beverage emulsions with different formulations using multivariate analysis.

PubMed

Mirhosseini, Hamed; Tan, Chin Ping

2010-06-01

The constituents in a food emulsion interact with each other, either physically or chemically, determining the overall physico-chemical and organoleptic properties of the final product. Thus, the main objective of present study was to investigate the effect of emulsion components on beverage emulsion properties. In most cases, the second-order polynomial regression models with no significant (P > 0.05) lack of fit and high adjusted coefficient of determination (adjusted R(2), 0.851-0.996) were significantly fitted to explain the beverage emulsion properties as function of main emulsion components. The main effect of gum arabic was found to be significant (P < 0.05) in all response regression models. Orange beverage emulsion containing 222.0 g kg(-1) gum arabic, 2.4 g kg(-1) xanthan gum and 152.7 g kg(-1) orange oil was predicted to provide the desirable emulsion properties. The present study suggests that the concentration of gum arabic should be considered as a primary critical factor for the formulation of orange beverage emulsion. This study also indicated that the interaction effect between xanthan gum and orange oil showed the most significant (P < 0.05) effect among all interaction effects influencing all the physicochemical properties except for density. Copyright (c) 2010 Society of Chemical Industry.

Investigating the psychometric properties of the Geriatric Suicide Ideation Scale (GSIS) among community-residing older adults.

PubMed

Heisel, Marnin J; Flett, Gordon L

2016-01-01

To investigate the psychometric properties of the Geriatric Suicide Ideation Scale (GSIS) among community-residing older adults. We recruited 173 voluntary participants, 65 years and older, into a 2+ year longitudinal study of the onset or exacerbation of depressive symptoms and suicide ideation. We assessed the internal consistency of the GSIS and its four component subscales, and its shorter and longer duration test-retest reliability, convergent (depression, social hopelessness, and loneliness), divergent (psychological well-being, life satisfaction, perceived social support, and self-rated health), discriminant (basic and instrumental activities of daily living and social desirability), criterion (history of suicide behavior), and predictive validity (future suicide ideation). The GSIS demonstrated strong test-retest reliability and internal consistency. Baseline GSIS scores were significantly positively associated with suicide risk factors, negatively associated with potential resiliency factors, and not associated with functional impairment or social desirability. GSIS scores significantly differentiated between participants with as compared to those without a history of suicide behavior. Baseline GSIS scores significantly predicted suicide ideation at a 2+ year follow-up assessment. Findings suggest strong measurement characteristics for the GSIS with community-residing older adults, including impressive consistency over time. These results are consistent with research attesting to the empirical and pragmatic strengths of this measure. These findings have implications for the monitoring of suicide risk when aiming to enhance mental health and well-being and prevent suicide in later life.

Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design

PubMed Central

Basith, Shaherin; Cui, Minghua; Macalino, Stephani J. Y.; Park, Jongmi; Clavio, Nina A. B.; Kang, Soosung; Choi, Sun

2018-01-01

The primary goal of rational drug discovery is the identification of selective ligands which act on single or multiple drug targets to achieve the desired clinical outcome through the exploration of total chemical space. To identify such desired compounds, computational approaches are necessary in predicting their drug-like properties. G Protein-Coupled Receptors (GPCRs) represent one of the largest and most important integral membrane protein families. These receptors serve as increasingly attractive drug targets due to their relevance in the treatment of various diseases, such as inflammatory disorders, metabolic imbalances, cardiac disorders, cancer, monogenic disorders, etc. In the last decade, multitudes of three-dimensional (3D) structures were solved for diverse GPCRs, thus referring to this period as the “golden age for GPCR structural biology.” Moreover, accumulation of data about the chemical properties of GPCR ligands has garnered much interest toward the exploration of GPCR chemical space. Due to the steady increase in the structural, ligand, and functional data of GPCRs, several cheminformatics approaches have been implemented in its drug discovery pipeline. In this review, we mainly focus on the cheminformatics-based paradigms in GPCR drug discovery. We provide a comprehensive view on the ligand– and structure-based cheminformatics approaches which are best illustrated via GPCR case studies. Furthermore, an appropriate combination of ligand-based knowledge with structure-based ones, i.e., integrated approach, which is emerging as a promising strategy for cheminformatics-based GPCR drug design is also discussed. PMID:29593527

Encapsulant materials and associated devices

DOEpatents

Kempe, Michael D [Littleton, CO; Thapa, Prem [Lima, OH

2011-03-08

Compositions suitable for use as encapsulants are described. The inventive compositions include a high molecular weight polymeric material, a curing agent, an inorganic compound, and a coupling agent. Optional elements include adhesion promoting agents, colorants, antioxidants, and UV absorbers. The compositions have desirable diffusivity properties, making them suitable for use in devices in which a substantial blocking of moisture ingress is desired, such as photovoltaic (PV) modules.

Encapsulant materials and associated devices

DOEpatents

Kempe, Michael D [Littleton, CO; Thapa, Prem [Lima, OH

2012-05-22

Compositions suitable for use as encapsulants are described. The inventive compositions include a high molecular weight polymeric material, a curing agent, an inorganic compound, and a coupling agent. Optional elements include adhesion promoting agents, colorants, antioxidants, and UV absorbers. The compositions have desirable diffusivity properties, making them suitable for use in devices in which a substantial blocking of moisture ingress is desired, such as photovoltaic (PV) modules.

Precise Control of the Number of Layers of Graphene by Picosecond Laser Thinning.

PubMed

Lin, Zhe; Ye, Xiaohui; Han, Jinpeng; Chen, Qiao; Fan, Peixun; Zhang, Hongjun; Xie, Dan; Zhu, Hongwei; Zhong, Minlin

2015-06-26

The properties of graphene can vary as a function of the number of layers (NOL). Controlling the NOL in large area graphene is still challenging. In this work, we demonstrate a picosecond (ps) laser thinning removal of graphene layers from multi-layered graphene to obtain desired NOL when appropriate pulse threshold energy is adopted. The thinning process is conducted in atmosphere without any coating and it is applicable for graphene films on arbitrary substrates. This method provides many advantages such as one-step process, non-contact operation, substrate and environment-friendly, and patternable, which will enable its potential applications in the manufacturing of graphene-based electronic devices.

Precise Control of the Number of Layers of Graphene by Picosecond Laser Thinning

NASA Astrophysics Data System (ADS)

Lin, Zhe; Ye, Xiaohui; Han, Jinpeng; Chen, Qiao; Fan, Peixun; Zhang, Hongjun; Xie, Dan; Zhu, Hongwei; Zhong, Minlin

2015-06-01

The properties of graphene can vary as a function of the number of layers (NOL). Controlling the NOL in large area graphene is still challenging. In this work, we demonstrate a picosecond (ps) laser thinning removal of graphene layers from multi-layered graphene to obtain desired NOL when appropriate pulse threshold energy is adopted. The thinning process is conducted in atmosphere without any coating and it is applicable for graphene films on arbitrary substrates. This method provides many advantages such as one-step process, non-contact operation, substrate and environment-friendly, and patternable, which will enable its potential applications in the manufacturing of graphene-based electronic devices.

Electronic effects and fundamental physics studied in molecular interfaces.

PubMed

Pope, Thomas; Du, Shixuan; Gao, Hong-Jun; Hofer, Werner A

2018-05-29

Scanning probe instruments in conjunction with a very low temperature environment have revolutionized the ability of building, functionalizing, and analysing two dimensional interfaces in the last twenty years. In addition, the availability of fast, reliable, and increasingly sophisticated methods to simulate the structure and dynamics of these interfaces allow us to capture even very small effects at the atomic and molecular level. In this review we shall focus largely on metal surfaces and organic molecular compounds and show that building systems from the bottom up and controlling the physical properties of such systems is no longer within the realm of the desirable, but has become day to day reality in our best laboratories.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hachtel, J. A.; Yu, S.; Lupini, A. R.

The combination of iron oxide and gold in a single nanoparticle results in both magnetic and plasmonic properties that can stimulate novel applications in bio-sensing, medical imaging, or therapeutics. Microwave assisted heating allows the fabrication of multi-component, multi-functional nanostructures by promoting selective heating at desired sites. Recently, we reported a microwave-assisted polyol route yielding gold nanotriangles decorated with iron oxide nanoparticles. Here, we present an in-depth microstructural and compositional characterization of the system by using scanning transmission electron microscopy (STEM) and electron energy loss (EELS) spectroscopy. A method to remove the iron oxide nanoparticles from the gold nanocrystals and somemore » insights on crystal nucleation and growth mechanisms are also provided.« less

Extracting the Essential Cartographic Functionality of Programs on the Web

NASA Astrophysics Data System (ADS)

Ledermann, Florian

2018-05-01

Following Aristotle, F. P. Brooks (1987) emphasizes the distinction between "essential difficulties" and "accidental difficulties" as a key challenge in software engineering. From the point of view of cartography, it would be desirable to identify the cartographic essence of a program, and subject it to additional scrutiny, while its accidental proper-ties, again from the point of view of cartography, are usually of lesser relevance to cartographic analysis. In this paper, two methods that facilitate extracting the cartographic essence of programs are presented: close reading of their source code, and the automated analysis of their runtime behavior. The advantages and shortcomings of both methods are discussed, followed by an outlook to future developments and potential applications.

ZnO Nanostructures for Drug Delivery and Theranostic Applications

PubMed Central

Martínez-Carmona, Marina

2018-01-01

In the last two decades, zinc oxide (ZnO) semiconductor Quantum dots (QDs) have been shown to have fantastic luminescent properties, which together with their low-cost, low-toxicity and biocompatibility have turned these nanomaterials into one of the main candidates for bio-imaging. The discovery of other desirable traits such as their ability to produce destructive reactive oxygen species (ROS), high catalytic efficiency, strong adsorption capability and high isoelectric point, also make them promising nanomaterials for therapeutic and diagnostic functions. Herein, we review the recent progress on the use of ZnO based nanoplatforms in drug delivery and theranostic in several diseases such as bacterial infection and cancer. PMID:29690644

Strain-Enhanced p Doping in Monolayer MoS2

NASA Astrophysics Data System (ADS)

Choi, Minseok

2018-02-01

Achievement of desired p -type electrical properties in MoS2 remains a challenge. Here, we demonstrate that p doping in monolayer MoS2 can be enhanced in terms of strain manipulation, through first-principles hybrid functional calculations. Biaxial tensile strain and shear strain with smaller in-plane angles induce the dramatic reduction in formation energy of p dopants such as niobium and tantalum, providing the moderate doping contents required for applications. In addition, the formation of sulfur vacancies which are potential compensators of holes released from the dopants is suppressed by the strains. Our calculations pave an alternative strategy to overcome in the realization of p doping in monolayer MoS2 .

Fabrication of a Bronze Age Sword using Ancient Techniques

NASA Astrophysics Data System (ADS)

Sapiro, David; Webler, Bryan

2016-12-01

A khopesh was cast and forged for the TMS 2016 Bladesmithing Symposium. The khopesh was the first sword style, originating during the Bronze Age in the Near East. The manufacturing process used in this study closely followed Bronze Age techniques to determine the plausibility of open mold casting coupled with cold work and annealing cycles. Forging and annealing cycles substantially increased blade strength and diminished intergranular δ-phase inclusions. While a functional blade was not completed due to casting defects, the process gives valuable insight into the effort required to fabricate a khopesh during the Bronze Age. Forging and annealing cycles following casting were necessary to produce the mechanical properties desired in a sword.

Development of new smart materials and spinning systems inspired by natural silks and their applications

NASA Astrophysics Data System (ADS)

Cheng, Jie; Lee, Sang-Hoon

2015-12-01

Silks produced by spiders and silkworms are charming natural biological materials with highly optimized hierarchical structures and outstanding physicomechanical properties. The superior performance of silks relies on the integration of a unique protein sequence, a distinctive spinning process, and complex hierarchical structures. Silks have been prepared to form a variety of morphologies and are widely used in diverse applications, for example, in the textile industry, as drug delivery vehicles, and as tissue engineering scaffolds. This review presents an overview of the organization of natural silks, in which chemical and physical functions are optimized, as well as a range of new materials inspired by the desire to mimic natural silk structure and synthesis.

Analysis of social optimum for staggered shifts in a single-entry traffic corridor with no late arrivals

NASA Astrophysics Data System (ADS)

Li, Chuan-Yao; Huang, Hai-Jun; Tang, Tie-Qiao

2017-03-01

This paper investigates the traffic flow dynamics under the social optimum (SO) principle in a single-entry traffic corridor with staggered shifts from the analytical and numerical perspectives. The LWR (Lighthill-Whitham and Richards) model and the Greenshield's velocity-density function are utilized to describe the dynamic properties of traffic flow. The closed-form SO solution is analytically derived and some numerical examples are used to further testify the analytical solution. The optimum proportion of the numbers of commuters with different desired arrival times is further discussed, where the analytical and numerical results both indicate that the cumulative outflow curve under the SO principle is piecewise smooth.

Dual-functional transdermal drug delivery system with controllable drug loading based on thermosensitive poloxamer hydrogel for atopic dermatitis treatment

NASA Astrophysics Data System (ADS)

Wang, Wenyi; Wat, Elaine; Hui, Patrick C. L.; Chan, Ben; Ng, Frency S. F.; Kan, Chi-Wai; Wang, Xiaowen; Hu, Huawen; Wong, Eric C. W.; Lau, Clara B. S.; Leung, Ping-Chung

2016-04-01

The treatment of atopic dermatitis (AD) has long been viewed as a problematic issue by the medical profession. Although a wide variety of complementary therapies have been introduced, they fail to combine the skin moisturizing and drug supply for AD patients. This study reports the development of a thermo-sensitive Poloxamer 407/Carboxymethyl cellulose sodium (P407/CMCs) composite hydrogel formulation with twin functions of moisture and drug supply for AD treatment. It was found that the presence of CMCs can appreciably improve the physical properties of P407 hydrogel, which makes it more suitable for tailored drug loading. The fabricated P407/CMCs composite hydrogel was also characterized in terms of surface morphology by field emission scanning electron microscopy (FE-SEM), rheological properties by a rheometer, release profile in vitro by dialysis method and cytotoxicity test. More importantly, the findings from transdermal drug delivery behavior revealed that P407/CMCs showed desirable percutaneous performance. Additionally, analysis of cytotoxicity test suggested that P407/CMCs composite hydrogel is a high-security therapy for clinical trials and thus exhibits a promising way to treat AD with skin moisturizing and medication.

Multilayer modal actuator-based piezoelectric transformers.

PubMed

Huang, Yao-Tien; Wu, Wen-Jong; Wang, Yen-Chieh; Lee, Chih-Kung

2007-02-01

An innovative, multilayer piezoelectric transformer equipped with a full modal filtering input electrode is reported herein. This modal-shaped electrode, based on the orthogonal property of structural vibration modes, is characterized by full modal filtering to ensure that only the desired vibration mode is excited during operation. The newly developed piezoelectric transformer is comprised of three layers: a multilayered input layer, an insulation layer, and a single output layer. The electrode shape of the input layer is derived from its structural vibration modal shape, which takes advantage of the orthogonal property of the vibration modes to achieve a full modal filtering effect. The insulation layer possesses two functions: first, to couple the mechanical vibration energy between the input and output, and second, to provide electrical insulation between the two layers. To meet the two functions, a low temperature, co-fired ceramic (LTCC) was used to provide the high mechanical rigidity and high electrical insulation. It can be shown that this newly developed piezoelectric transformer has the advantage of possessing a more efficient energy transfer and a wider optimal working frequency range when compared to traditional piezoelectric transformers. A multilayer piezoelectric, transformer-based inverter applicable for use in LCD monitors or portable displays is presented as well.

Dual-functional transdermal drug delivery system with controllable drug loading based on thermosensitive poloxamer hydrogel for atopic dermatitis treatment

PubMed Central

Wang, Wenyi; Wat, Elaine; Hui, Patrick C. L.; Chan, Ben; Ng, Frency S. F.; Kan, Chi-Wai; Wang, Xiaowen; Hu, Huawen; Wong, Eric C. W.; Lau, Clara B. S.; Leung, Ping-Chung

2016-01-01

The treatment of atopic dermatitis (AD) has long been viewed as a problematic issue by the medical profession. Although a wide variety of complementary therapies have been introduced, they fail to combine the skin moisturizing and drug supply for AD patients. This study reports the development of a thermo-sensitive Poloxamer 407/Carboxymethyl cellulose sodium (P407/CMCs) composite hydrogel formulation with twin functions of moisture and drug supply for AD treatment. It was found that the presence of CMCs can appreciably improve the physical properties of P407 hydrogel, which makes it more suitable for tailored drug loading. The fabricated P407/CMCs composite hydrogel was also characterized in terms of surface morphology by field emission scanning electron microscopy (FE-SEM), rheological properties by a rheometer, release profile in vitro by dialysis method and cytotoxicity test. More importantly, the findings from transdermal drug delivery behavior revealed that P407/CMCs showed desirable percutaneous performance. Additionally, analysis of cytotoxicity test suggested that P407/CMCs composite hydrogel is a high-security therapy for clinical trials and thus exhibits a promising way to treat AD with skin moisturizing and medication. PMID:27090158

Characterization of orange oil microcapsules for application in textiles

NASA Astrophysics Data System (ADS)

Rossi, W.; Bonet-Aracil, M.; Bou-Belda, E.; Gisbert-Payá, J.; Wilson, K.; Roldo, L.

2017-10-01

The use of orange oil presents as an ecological alternative to chemicals, attracting the attention of the scientific community to the development of eco-friendly antimicrobials. The microencapsulation technology has been used for the application of orange oil to textiles, being an economically viable, fast and efficient method by combining core and shell materials, desirable perceptual and functional characteristics, responsible for properties related to the nature of the product and provides that the wall materials release the functional substances in a controlled manner, in addition to effectively protecting and isolating the core material from the external environment to prevent its volatilization and deterioration, increasing the stability of the oil, such as non-toxicity. Thus, to better exploit the properties of the orange essential oil applied to textile products this study presents a characterization of microcapsules of Melamine formaldehyde obtained by the interfacial polymerization method with variations of proportions of orange oil (volatile) with fixed oil Medium-Chain Triglycerides (MCT) (non-volatile) to assist in the stability of the orange essential oil. Scanning electron microscope (SEM) was used as visualizing tool to characterize microparticles and surface morphology and thermal characteristics of microcapsules were premeditated by mean Differential scanning calorimetry (DSC).

Structural computational modeling of RNA aptamers.

PubMed

Xu, Xiaojun; Dickey, David D; Chen, Shi-Jie; Giangrande, Paloma H

2016-07-01

RNA aptamers represent an emerging class of biologics that can be easily adapted for personalized and precision medicine. Several therapeutic aptamers with desirable binding and functional properties have been developed and evaluated in preclinical studies over the past 25years. However, for the majority of these aptamers, their clinical potential has yet to be realized. A significant hurdle to the clinical adoption of this novel class of biologicals is the limited information on their secondary and tertiary structure. Knowledge of the RNA's structure would greatly facilitate and expedite the post-selection optimization steps required for translation, including truncation (to reduce costs of manufacturing), chemical modification (to enhance stability and improve safety) and chemical conjugation (to improve drug properties for combinatorial therapy). Here we describe a structural computational modeling methodology that when coupled to a standard functional assay, can be used to determine key sequence and structural motifs of an RNA aptamer. We applied this methodology to enable the truncation of an aptamer to prostate specific membrane antigen (PSMA) with great potential for targeted therapy that had failed previous truncation attempts. This methodology can be easily applied to optimize other aptamers with therapeutic potential. Copyright © 2016. Published by Elsevier Inc.

A national survey into desirable personality traits in anaesthesia trainees in a developing country.

PubMed

Khan, Fauzia Anis; Minai, Fauzia

2010-03-01

To explore personality traits considered to be important in selection of trainees by consultant anaesthetists in a developing country. A questionnaire listing 28 traits was sent to 125 consultant anaesthetists. The raters were asked to mark each trait on a scale of 1 to 10, with one being least desirable and 10 as most desirable. Listing of five most desirable and one least desirable trait was also required. The response rate was 79%. The most desirable trait was identified as reliability by 40%, followed by honesty 17%, functionality under stress 9%, punctuality 7%, and discipline 4%. The least desirable trait was considered as resourcefulness (21%), sense of humour (20%), unassuming mannerism (15%), high self esteem (11%), inquisitive (5%) and expedious (5%). Some traits have been identified as more desirable than others for trainees in our country. We plan to assess these in structured behavioural interviews in our residency programme.

Molecular perspective on diazonium adsorption for controllable functionalization of single-walled carbon nanotubes in aqueous surfactant solutions.

PubMed

Lin, Shangchao; Hilmer, Andrew J; Mendenhall, Jonathan D; Strano, Michael S; Blankschtein, Daniel

2012-05-16

Functionalization of single-walled carbon nanotubes (SWCNTs) using diazonium salts allows modification of their optical and electronic properties for a variety of applications, ranging from drug-delivery vehicles to molecular sensors. However, control of the functionalization process remains a challenge, requiring molecular-level understanding of the adsorption of diazonium ions onto heterogeneous, charge-mobile SWCNT surfaces, which are typically decorated with surfactants. In this paper, we combine molecular dynamics (MD) simulations, experiments, and equilibrium reaction modeling to understand and model the extent of diazonium functionalization of SWCNTs coated with various surfactants (sodium cholate, sodium dodecyl sulfate, and cetyl trimethylammonium bromide). We show that the free energy of diazonium adsorption, determined using simulations, can be used to rank surfactants in terms of the extent of functionalization attained following their adsorption on the nanotube surface. The difference in binding affinities between linear and rigid surfactants is attributed to the synergistic binding of the diazonium ion to the local "hot/cold spots" formed by the charged surfactant heads. A combined simulation-modeling framework is developed to provide guidance for controlling the various sensitive experimental conditions needed to achieve the desired extent of SWCNT functionalization.

Atomic Oxygen Effects on POSS Polyimides

DTIC Science & Technology

2011-07-25

resistance to UV damage, and excellent thermal properties.1 Despite the desirable properties of Kapton, this polyimide and all organic polymeric materials...stability, insulation properties, IR transparency, low solar absorptance, resistance to UV damage, and excellent thermal properties.1 Despite the...8 × 1021 atoms cm-2. Free standing films of MC-POSS polyimide were sewn to a Kapton blanket and exposed to a sweeping ram in LEO on MISSE-5

Daily affect and female sexual function.

PubMed

Kalmbach, David A; Pillai, Vivek

2014-12-01

The specific affective experiences related to changes in various aspects of female sexual function have received little attention as most prior studies have focused instead on the role of clinical mood and anxiety disorders and their influence on sexual dysfunction. We sought to understand the transaction between daily affect and female sexual function in effort to provide a more nuanced understanding of the interplay between affective and sexual experiences. The present study used a 2-week daily diary approach to examine same-day and temporal relations between positive and negative affect states and sexual function in young women. We examined the unique relations between positive (i.e., joviality, serenity, self-assurance) and negative (i.e., fear, sadness, hostility) affects and female sexual response (i.e., desire, subjective arousal, vaginal lubrication, orgasmic function, and sexual pain) while controlling for higher order sexual distress, depression, and anxiety, as well as age effects and daily menstruation. Analyses revealed different aspects of both positive and negative affects to be independently related to sexual response indices. Specifically, results indicated that joviality was related to same-day sexual desire and predicted increased desire the following day. This latter relation was partially mediated by sexual activity. Further, greater sexual desire predicted next-day calmness, which was partially mediated by sexual activity. Notably, fear was related to same-day subjective arousal, lubrication, orgasmic function, and vaginal pain, whereas poorer orgasmic function predicted greater next-day sadness. These findings describe the manner in which changes in affect correspond to variations in female sexual function, thus highlighting the inextricability of mental and sexual health. Further, these findings may offer insight into the progression of normative levels of affect and sexual function as they develop into comorbid depression, anxiety, and sexual dysfunction. © 2014 International Society for Sexual Medicine.

Effects of gravity on combustion synthesis of functionally graded biomaterials

NASA Astrophysics Data System (ADS)

Castillo, M.; Moore, J. J.; Schowengerdt, F. D.; Ayers, R. A.; Zhang, X.; Umakoshi, M.; Yi, H. C.; Guigne, J. Y.

2003-07-01

Combustion synthesis, or self-propagating, high temperature synthesis is currently being used at the Colorado School of Mines to produce advanced materials for biomedical applications. These biomaterials include ceramic, intermetallic, and metal-matrix composites for applications ranging from structural to oxidation- and wear-resistant materials, e.g., TiC-Ti, TiC-Cr 3C 2, MOSi 2-SiC, NiAl-TiB 2, to engineered porous composites, e.g., B 4C-Al 2O 3, Ti-TiB x, Ni-Ti, Ca 3(P0 4) 2 and glass-ceramic composites, e.g., CaO-SiO 2-BaO-Al 2O 3-TiB 2. The goal of the functionally graded biomaterials project is to develop new materials, graded in porosity and composition, which will combine the desirable mechanical properties of implant, e.g., NiTi, with the bone-growth enhancement properties of porous biodegradable ceramics, e.g., Ca 3(PO 4) 2. Recent experiments on the NASA parabolic flight (KC-135) aircraft have shown that gravity plays an important role in controlling the structure and properties of materials produced by combustion synthesis. The results of these studies, which will be presented at the conference, will provide valuable input to the design of experiments to be done in Space-DRUMS TM, a containerless materials processing facility scheduled to be placed on the International Space Station in 2003.

Modification of natural matrix lac-bagasse for matrix composite films

NASA Astrophysics Data System (ADS)

Nurhayati, Nanik Dwi; Widjaya, Karna; Triyono

2016-02-01

Material technology continues to be developed in order to a material that is more efficient with composite technology is a combination of two or more materials to obtain the desired material properties. The objective of this research was to modification and characterize the natural matrix lac-bagasse as composite films. The first step, natural matrix lac was changed from solid to liquid using an ethanol as a solvent so the matrix homogenly. Natural matrix lac was modified by adding citric acid with concentration variation. Secondly, the bagasse delignification using acid hydrolysis method. The composite films natural matrix lac-bagasse were prepared with optimum modified the addition citric acid 5% (v/v) and delignification bagasse optimum at 1,5% (v/v) in hot press at 80°C 6 Kg/cm-1. Thirdly, composite films without and with modification were characterized functional group analysis using FTIR spectrophotometer and mechanical properties using Universal Testing Machine. The result of research showed natural matrix lac can be modified by reaction with citric acid. FTIR spectra showed without and with modification had functional groups wide absorption 3448 cm-1 group -OH, C=O ester strong on 1712 cm-1 and the methylene group -CH2 on absorption 1465 cm-1. The mechanical properties showed tensile strength 0,55 MPa and elongation at break of 0,95 %. So that composite films natural matrix lac can be made with reinforcement bagasse for material application.