Structural features, kinetics and SAR study of radical scavenging and antioxidant activities of phenolic and anilinic compounds

PubMed Central

2013-01-01

Background Phenolic compounds are widely distributed in plant kingdom and constitute one of the most important classes of natural and synthetic antioxidants. In the present study fifty one natural and synthetic structurally variant phenolic, enolic and anilinic compounds were examined as antioxidants and radical scavengers against DPPH, hydroxyl and peroxyl radicals. The structural diversity of the used phenolic compounds includes monophenols with substituents frequently present in natural phenols e.g. alkyl, alkoxy, ester and carboxyl groups, besides many other electron donating and withdrawing groups, in addition to polyphenols with 1–3 hydroxyl groups and aminophenols. Some common groups e.g. alkyl, carboxyl, amino and second OH groups were incorporated in ortho, meta and para positions. Results SAR study indicates that the most important structural feature of phenolic compounds required to possess good antiradical and antioxidant activities is the presence of a second hydroxyl or an amino group in o- or p-position because of their strong electron donating effect in these positions and the formation of a stable quinone-like products upon two hydrogen-atom transfer process; otherwise, the presence of a number of alkoxy (in o or p-position) and /or alkyl groups (in o, m or p-position) should be present to stabilize the resulted phenoxyl radical and reach good activity. Anilines showed also similar structural feature requirements as phenols to achieve good activities, except o-diamines which gave low activity because of the high energy of the resulted 1,2-dimine product upon the 2H-transfer process. Enols with ene-1,2-diol structure undergo the same process and give good activity. Good correlations were obtained between DPPH inhibition and inhibition of both OH and peroxyl radicals. In addition, good correlations were obtained between DPPH inhibition and antioxidant activities in sunflower oil and liver homogenate systems. Conclusions In conclusion, the structures of good anti radical and antioxidant phenols and anilines are defined. The obtained good correlations imply that measuring anti DPPH activity can be used as a simple predictive test for the anti hydroxyl and peroxyl radical, and antioxidant activities. Kinetic measurements showed that strong antioxidants with high activity have also high reaction rates indicating that factors stabilizing the phenoxyl radicals lower also the activation energy of the hydrogen transfer process. PMID:23497653

Emergence and stability of intermediate open vesicles in disk-to-vesicle transitions.

PubMed

Li, Jianfeng; Zhang, Hongdong; Qiu, Feng; Shi, An-Chang

2013-07-01

The transition between two basic structures, a disk and an enclosed vesicle, of a finite membrane is studied by examining the minimum energy path (MEP) connecting these two states. The MEP is constructed using the string method applied to continuum elastic membrane models. The results reveal that, besides the commonly observed disk and vesicle, open vesicles (bowl-shaped vesicles or vesicles with a pore) can become stable or metastable shapes. The emergence, stability, and probability distribution of these open vesicles are analyzed. It is demonstrated that open vesicles can be stabilized by higher-order elastic energies. The estimated probability distribution of the different structures is in good agreement with available experiments.

Brownian dynamics of sterically-stabilized colloidal suspensions

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

TeGrotenhuis, W.E.; Radke, C.J.; Denn, M.M.

1994-02-01

One application where microstructure plays a critical role is in the production of specialty ceramics, where colloidal suspensions act as precursors; here the microstructure influences the structural, thermal, optical and electrical properties of the ceramic products. Using Brownian dynamics, equilibrium and dynamic properties are calculated for colloidal suspensions that are stabilized through the Milner, Witten and Cates (1988) steric potential. Results are reported for osmotic pressures, radial distributions functions, static structure factors, and self-diffusion coefficients. The sterically-stabilized systems are also approximated by equivalent hard spheres, with good agreement for osmotic pressure and long-range structure. The suitability of the potential tomore » model the behavior of a real system is explored by comparing static structure factors calculated from Brownian dynamics simulations to those measured using SANS. Finally, the effects of Hamaker and hydrodynamic forces on calculated properties are investigated.« less

Synthesis of cage-like LiFePO4/C microspheres for high performance lithium ion batteries

NASA Astrophysics Data System (ADS)

Deng, Honggui; Jin, Shuangling; Zhan, Liang; Wang, Yanli; Qiao, Wenming; Ling, Licheng

2012-12-01

Cage-like LiFePO4 microspheres are synthesized by a solvothermal reaction-calcination process, using Fe(NO3)3·9H2O as iron source and ethylene glycol/water as co-solvent medium. The microsphere is the assembly of LiFePO4 nanoparticles with an open porous structure, thus the carbon coating can be easily introduced on the surface of the nanoparticles by the chemical vapor deposition of C2H4 during calcination process. When used as the cathode materials for the lithium-ion batteries, the resultant cage-like LiFePO4/C microsphere shows high capacity and good cycle stability (160 mAh g-1 at 0.1 C over 300 cycles), as well as good rate capability (120 mAh g-1 at 10 C). The desirable electrochemical performance can be attributed to high rate of ionic/electronic conduction and the high structural stability arising from the interconnected open pores, carbon-coated nanoparticles and microsized structure.

Stability Mechanisms of Laccase Isoforms using a Modified FoldX Protocol Applicable to Widely Different Proteins.

PubMed

Christensen, Niels J; Kepp, Kasper P

2013-07-09

A recent computational protocol that accurately predicts and rationalizes protein multisite mutant stabilities has been extended to handle widely different isoforms of laccases. We apply the protocol to four isoenzymes of Trametes versicolor laccase (TvL) with variable lengths (498-503 residues) and thermostability (Topt ∼ 45-80 °C) and with 67-77% sequence identity. The extended protocol uses (i) statistical averaging, (ii) a molecular-dynamics-validated "compromise" homology model to minimize bias that causes proteins close in sequence to a structural template to be too stable due to having the benefits of the better sampled template (typically from a crystal structure), (iii) correction for hysteresis that favors the input template to overdestabilize, and (iv) a preparative protocol to provide robust input sequences of equal length. The computed ΔΔG values are in good agreement with the major trends in experimental stabilities; that is, the approach may be applicable for fast estimates of the relative stabilities of proteins with as little as 70% identity, something that is currently extremely challenging. The computed stability changes associated with variations are Gaussian-distributed, in good agreement with experimental distributions of stability effects from mutation. The residues causing the differential stability of the four isoforms are consistent with a range of compiled laccase wild type data, suggesting that we may have identified general drivers of laccase stability. Several sites near Cu, notably 79, 241, and 245, or near substrate, mainly 265, are identified that contribute to stability-function trade-offs, of relevance to the search for new proficient and stable variants of these important industrial enzymes.

Temporal, thermal, and light stability of continuously tunable cholesteric liquid crystal laser array.

PubMed

Jeong, Mi-Yun; Chung, Ki Soo; Wu, Jeong Weon

2014-11-01

Fine-structured polymerized cholesteric liquid crystal (PCLC) wedge laser devices have been realized, with high fine spatial tunability of the lasing wavelength. With resolution less than 0.3 nm in a broad spectral range, more than one hundred laser lines could be obtained in a PCLC cell without extra devices. For practical device application, we studied the stability of the device in detail over time, and in response to strong external light sources, and thermal perturbation. The PCLC wedge cells had good temporal stability for 1 year and showed good stability for strong perturbations, with the lasing wavelength shifting less than 1 nm, while the laser peak intensities decreased by up to 34%, and the high energy band edge of the photonic band gap (PBG) was red shifted 3 nm by temperature perturbation. However, when we consider the entire lasing spectrum for the PCLC cell, the 1-nm wavelength shift may not matter. Although the laser peak intensities were decreased by up to 34% in total for all of the perturbation cases, the remaining 34% laser peak intensity is considerable extent to make use. This good stability of the PCLC laser device is due to the polymerization of the CLC by UV curing. This study will be helpful for practical CLC laser device development.

Role of conformational sampling in computing mutation-induced changes in protein structure and stability.

PubMed

Kellogg, Elizabeth H; Leaver-Fay, Andrew; Baker, David

2011-03-01

The prediction of changes in protein stability and structure resulting from single amino acid substitutions is both a fundamental test of macromolecular modeling methodology and an important current problem as high throughput sequencing reveals sequence polymorphisms at an increasing rate. In principle, given the structure of a wild-type protein and a point mutation whose effects are to be predicted, an accurate method should recapitulate both the structural changes and the change in the folding-free energy. Here, we explore the performance of protocols which sample an increasing diversity of conformations. We find that surprisingly similar performances in predicting changes in stability are achieved using protocols that involve very different amounts of conformational sampling, provided that the resolution of the force field is matched to the resolution of the sampling method. Methods involving backbone sampling can in some cases closely recapitulate the structural changes accompanying mutations but not surprisingly tend to do more harm than good in cases where structural changes are negligible. Analysis of the outliers in the stability change calculations suggests areas needing particular improvement; these include the balance between desolvation and the formation of favorable buried polar interactions, and unfolded state modeling. Copyright © 2010 Wiley-Liss, Inc.

Comparison between different types of carboxylmethylcellulose and other oenological additives used for white wine tartaric stabilization.

PubMed

Guise, R; Filipe-Ribeiro, L; Nascimento, D; Bessa, O; Nunes, F M; Cosme, F

2014-08-01

Carboxylmethylcellulose (CMC) is authorised to prevent wine tartaric instability. The effect of CMC structural characteristics on their effectiveness is not well understood. The main purpose of this study was to compare the impact of CMC's with different degrees of substitution and molecular weight, on tartaric stability, tartaric acid, mineral concentration, phenolic compounds, chromatic and sensory characteristics in white wines, and compare its effectiveness with other oenological additives. Mini-contact test showed that all CMC's and metatartaric acid stabilized the wines; however, some arabic gums and mannoproteins do not stabilized the wines. CMC's had no significant effect on tartaric acid, potassium, calcium and sensory attributes. Tartaric stabilization effectiveness depends on CMC's degree of substitution, but also on wine matrix, probably its initial potassium content. Results suggest that CMC is a good alternative to white wine tartaric stabilization; nevertheless deeper structure knowledge is necessary in order to choose the appropriate CMC for a given tartaric instability. Copyright © 2014 Elsevier Ltd. All rights reserved.

High performance porous Si@C anodes synthesized by low temperature aluminothermic reaction

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

Mishra, Kuber; Zheng, Jianming; Patel, Rajankumar

A low temperature (210°C) aluminothermic reduction reaction process has been developed to synthesis porous silicon (Si) as an anode for Li ion battery applications. An eutectic mixture of AlCl3 and ZnCl2 is used as the mediator to reduce the reaction temperature. With carbon pre-coated on the porous SiO2 precursor, porous Si@C core shell structured anodes could be obtained with structure and morphology similar to that of the porous precursor. In addition, carbon coated porous Si also exhibits superior cyclic stability, higher rate performance, and higher coulombic efficiency. The porous Si anode demonstrates a high specific capacity of ~2100 mAh/g atmore » the current density of 1.2 A/g and has a good cycling stability with ~76% capacity retention over 250 cycles. Therefore, it will be a good candidate for anode used in high energy density Li-ion batteries.« less

High-k 3D-barium titanate foam/phenolphthalein poly(ether sulfone)/cyanate ester composites with frequency-stable dielectric properties and extremely low dielectric loss under reduced concentration of ceramics

NASA Astrophysics Data System (ADS)

Zheng, Longhui; Yuan, Li; Guan, Qingbao; Liang, Guozheng; Gu, Aijuan

2018-01-01

Higher dielectric constant, lower dielectric loss and better frequency stability have been the developing trends for high dielectric constant (high-k) materials. Herein, new composites have been developed through building unique structure by using hyperbranched polysiloxane modified 3D-barium titanate foam (BTF) (BTF@HSi) as the functional fillers and phenolphthalein poly(ether sulfone) (cPES)/cyanate ester (CE) blend as the resin matrix. For BTF@HSi/cPES/CE composite with 34.1 vol% BTF, its dielectric constant at 100 Hz is as high as 162 and dielectric loss is only 0.007; moreover, the dielectric properties of BTF@HSi/cPES/CE composites exhibit excellent frequency stability. To reveal the mechanism behind these attractive performances of BTF@HSi/cPES/CE composites, three kinds of composites (BTF/CE, BTF/cPES/CE, BTF@HSi/CE) were prepared, their structure and integrated performances were intensively investigated and compared with those of BTF@HSi/cPES/CE composites. Results show that the surface modification of BTF is good for preparing composites with improved thermal stability; while introducing flexible cPES to CE is beneficial to fabricate composites with good quality through effectively blocking cracks caused by the stress concentration, and then endowing the composites with good dielectric properties at reduced concentration of ceramics.

First-principles screening of structural properties of intermetallic compounds on martensitic transformation

NASA Astrophysics Data System (ADS)

Lee, Joohwi; Ikeda, Yuji; Tanaka, Isao

2017-11-01

Martensitic transformation with good structural compatibility between parent and martensitic phases are required for shape memory alloys (SMAs) in terms of functional stability. In this study, first-principles-based materials screening is systematically performed to investigate the intermetallic compounds with the martensitic phases by focusing on energetic and dynamical stabilities as well as structural compatibility with the parent phase. The B2, D03, and L21 crystal structures are considered as the parent phases, and the 2H and 6M structures are considered as the martensitic phases. In total, 3384 binary and 3243 ternary alloys with stoichiometric composition ratios are investigated. It is found that 187 alloys survive after the screening. Some of the surviving alloys are constituted by the chemical elements already widely used in SMAs, but other various metallic elements are also found in the surviving alloys. The energetic stability of the surviving alloys is further analyzed by comparison with the data in Materials Project Database (MPD) to examine the alloys whose martensitic structures may cause further phase separation or transition to the other structures.

The Reliability, Validity, and Evaluation of the Objective Structured Clinical Examination in Podiatry (Chiropody).

ERIC Educational Resources Information Center

Woodburn, Jim; Sutcliffe, Nick

1996-01-01

The Objective Structured Clinical Examination (OSCE), initially developed for undergraduate medical education, has been adapted for assessment of clinical skills in podiatry students. A 12-month pilot study found the test had relatively low levels of reliability, high construct and criterion validity, and good stability of performance over time.…

Method of manufacturing a heat pipe wick with structural enhancement

DOEpatents

Andraka, Charles E [Albuquerque, NM; Adkins, Douglas R [Albuquerque, NM; Moreno, James B [Albuquerque, NM; Rawlinson, K Scott [Albuquerque, NM; Showalter, Steven K [Albuquerque, NM; Moss, Timothy A [Albuquerque, NM

2006-10-24

Heat pipe wick structure wherein a stout sheet of perforated material overlays a high performance wick material such as stainless steel felt affixed to a substrate. The inventive structure provides a good flow path for working fluid while maintaining durability and structural stability independent of the structure (or lack of structure) associated with the wick material. In one described embodiment, a wick of randomly laid .about.8 micron thickness stainless steel fibers is sintered to a metal substrate and a perforated metal overlay.

Heat pipe wick with structural enhancement

DOEpatents

Andraka, Charles E.; Adkins, Douglas R.; Moreno, James B.; Rawlinson, K. Scott; Showalter, Steven K.; Moss, Timothy A.

2003-11-18

Heat pipe wick structure wherein a stout sheet of perforated material overlays a high performance wick material such as stainless steel felt affixed to a substrate. The inventive structure provides a good flow path for working fluid while maintaining durability and structural stability independent of the structure (or lack of structure) associated with the wick material. In one described embodiment, a wick of randomly laid .about.8 micron thickness stainless steel fibers is sintered to a metal substrate and a perforated metal overlay.

Design and evaluation of a robust dynamic neurocontroller for a multivariable aircraft control problem

NASA Technical Reports Server (NTRS)

Troudet, T.; Garg, S.; Merrill, W.

1992-01-01

The design of a dynamic neurocontroller with good robustness properties is presented for a multivariable aircraft control problem. The internal dynamics of the neurocontroller are synthesized by a state estimator feedback loop. The neurocontrol is generated by a multilayer feedforward neural network which is trained through backpropagation to minimize an objective function that is a weighted sum of tracking errors, and control input commands and rates. The neurocontroller exhibits good robustness through stability margins in phase and vehicle output gains. By maintaining performance and stability in the presence of sensor failures in the error loops, the structure of the neurocontroller is also consistent with the classical approach of flight control design.

Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

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

Saal, James E.; Berglund, Ida S.; Sebastian, Jason T.

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.

Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

DOE PAGES

Saal, James E.; Berglund, Ida S.; Sebastian, Jason T.; ...

2017-10-29

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.

An apparent contradiction: increasing variability to achieve greater precision?

PubMed

Rosenblatt, Noah J; Hurt, Christopher P; Latash, Mark L; Grabiner, Mark D

2014-02-01

To understand the relationship between variability of foot placement in the frontal plane and stability of gait patterns, we explored how constraining mediolateral foot placement during walking affects the structure of kinematic variance in the lower-limb configuration space during the swing phase of gait. Ten young subjects walked under three conditions: (1) unconstrained (normal walking), (2) constrained (walking overground with visual guides for foot placement to achieve the measured unconstrained step width) and, (3) beam (walking on elevated beams spaced to achieve the measured unconstrained step width). The uncontrolled manifold analysis of the joint configuration variance was used to quantify two variance components, one that did not affect the mediolateral trajectory of the foot in the frontal plane ("good variance") and one that affected this trajectory ("bad variance"). Based on recent studies, we hypothesized that across conditions (1) the index of the synergy stabilizing the mediolateral trajectory of the foot (the normalized difference between the "good variance" and "bad variance") would systematically increase and (2) the changes in the synergy index would be associated with a disproportionate increase in the "good variance." Both hypotheses were confirmed. We conclude that an increase in the "good variance" component of the joint configuration variance may be an effective method of ensuring high stability of gait patterns during conditions requiring increased control of foot placement, particularly if a postural threat is present. Ultimately, designing interventions that encourage a larger amount of "good variance" may be a promising method of improving stability of gait patterns in populations such as older adults and neurological patients.

Role of Temperature and SiCP Parameters in Stability and Quality of Al-Si-Mg/SiC Foams

NASA Astrophysics Data System (ADS)

Ravi Kumar, N. V.; Gokhale, Amol A.

2018-06-01

Composites of Al-Si-Mg (A356) alloy with silicon carbide particles were synthesized in-house and foamed by melt processing using titanium hydride as foaming agent. The effects of the SiCP size and content, and foaming temperature on the stability and quality of the foam were explored. It was observed that the foam stability depended on the foaming temperature alone but not on the particle size or volume percent within the studied ranges. Specifically, foam stability was poor at 670°C. Among the stable foams obtained at 640°C, cell soundness (absence of/low defects, and collapse) was seen to vary depending on the particle size and content; For example, for finer size, lower particle contents were sufficient to obtain sound cell structure. It is possible to determine a foaming process window based on material and process parameters for good expansion, foam stability, and cell structure.

Fabrication and characterization of Co{sub 40}Fe{sub 22}Ta{sub 8-x}Y{sub x}B{sub 30} (x = 0, 2.5, 4, 6, and 8) metallic glasses with high thermal stability and good soft magnetic properties

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

Taghvaei, Amir Hossein, E-mail: amirtaghvaei@gmail.com; Shahabi, Hamed Shakur; Bednarčik, Jozef

2014-11-14

Atomic structure and thermal behavior of Co{sub 40}Fe{sub 22}Ta{sub 8-x}Y{sub x}B{sub 30} (x = 0, 2.5, 4, 6, and 8) metallic glasses with good soft magnetic properties have been investigated by high-energy synchrotron X-ray diffraction and differential scanning calorimeter, respectively. It has been shown that the extension of the supercooled liquid region first increases and reaches a large value of 95 K and subsequently decreases as a function of Y content. Analysis of the structure factors and pair correlation functions in the reciprocal-space and real-space have indicated that the addition of Y noticeably changes the atomic structure and reduces the degree of themore » medium-range order. Magnetic measurements have implied that the introduction of Y enhances both saturation magnetization and Curie temperatures of the ribbons, while keeping their coercivity very small. The underlying mechanisms for changes in the atomic structure, improving the thermal stability and magnetic properties upon Y addition have been discussed.« less

GO-induced assembly of gelatin toward stacked layer-like porous carbon for advanced supercapacitors

NASA Astrophysics Data System (ADS)

Zhang, Xiaomeng; Jiao, Yanqing; Sun, Li; Wang, Lei; Wu, Aiping; Yan, Haijing; Meng, Meichen; Tian, Chungui; Jiang, Baojiang; Fu, Honggang

2016-01-01

Layer-like nanocarbons with high surface area and good conductivity are promising materials for supercapacitors due to their good ability for effective charge-transfer and mass-transfer. In this paper, stacked layer-like porous carbon containing RGO (reduced graphene oxides) (LPCG) was constructed via the GO-induced assembly of gelatin followed by carbonization and activation processes. Under suitable conditions, LPCG-based materials with a thickness of about 100 nm and a high specific surface area (up to 1476 m2 g-1) could be obtained. In the materials, the closed combination of RGO and porous carbon can be observed, which is favourable for the development of the synergistic effects of both components. The presence of GO can not only enhance the conductivity of LPCG-based materials, but also is essential for the formation of a thin carbon sheet with a stacked structure. Otherwise, the plate-like, non-stacked carbon with a thickness of about 500 nm could be formed in the absence of RGO. The porous structure along with the presence of RGO allows rapid charge-transfer and easy access and diffusion of electrolyte ions. As a result, the materials exhibited a high discharge specific capacitance (455 F g-1 at 0.5 A g-1, 366 F g-1 at 1 A g-1), good rate capability (221 F g-1 at density 30 A g-1) and good cycling stability. In aqueous electrolytes, the energy density could be up to 9.32 W h kg-1 at a relatively low power density of 500 W kg-1 with a good cycling stability (>96% over 5000 cycles). It was found that (1) the rational combination of RGO and porous carbon is essential for enhancing the capacitance performance and improving the cycling stability and (2) the high conductivity is favorable for improving the rate performance of the materials. The LPCG-based materials have extensive potential for practical applications in energy storage and conversion devices.Layer-like nanocarbons with high surface area and good conductivity are promising materials for supercapacitors due to their good ability for effective charge-transfer and mass-transfer. In this paper, stacked layer-like porous carbon containing RGO (reduced graphene oxides) (LPCG) was constructed via the GO-induced assembly of gelatin followed by carbonization and activation processes. Under suitable conditions, LPCG-based materials with a thickness of about 100 nm and a high specific surface area (up to 1476 m2 g-1) could be obtained. In the materials, the closed combination of RGO and porous carbon can be observed, which is favourable for the development of the synergistic effects of both components. The presence of GO can not only enhance the conductivity of LPCG-based materials, but also is essential for the formation of a thin carbon sheet with a stacked structure. Otherwise, the plate-like, non-stacked carbon with a thickness of about 500 nm could be formed in the absence of RGO. The porous structure along with the presence of RGO allows rapid charge-transfer and easy access and diffusion of electrolyte ions. As a result, the materials exhibited a high discharge specific capacitance (455 F g-1 at 0.5 A g-1, 366 F g-1 at 1 A g-1), good rate capability (221 F g-1 at density 30 A g-1) and good cycling stability. In aqueous electrolytes, the energy density could be up to 9.32 W h kg-1 at a relatively low power density of 500 W kg-1 with a good cycling stability (>96% over 5000 cycles). It was found that (1) the rational combination of RGO and porous carbon is essential for enhancing the capacitance performance and improving the cycling stability and (2) the high conductivity is favorable for improving the rate performance of the materials. The LPCG-based materials have extensive potential for practical applications in energy storage and conversion devices. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07857a

Arabinoxylan-lipids-based edible films and coatings. 2. Influence of sucroester nature on the emulsion structure and film properties.

PubMed

Phan The, D; Péroval, C; Debeaufort, F; Despré, D; Courthaudon, J L; Voilley, A

2002-01-16

This work is a contribution to better knowledge of the influence of the structure of films on their functional properties obtained from emulsions based on arabinoxylans, hydrogenated palm kernel oil (HPKO), and emulsifiers. The sucroesters (emulsifiers) have a great effect on the stabilization of the emulsified film structure containing arabinoxylans and hydrogenated palm kernel oil. They improve the moisture barrier properties. Several sucroesters having different esterification degrees were tested. Both lipophilic (90% of di and tri-ester) and hydrophilic (70% of mono-ester) sucrose esters can ensure the stability of the emulsion used to form the film, especially during preparation and drying. These emulsifiers confer good moisture barrier properties to emulsified films.

Sulfiphilic nickel phosphosulfide enabled Li 2S impregnation in 3D graphene cages for Li-S batteries

DOE PAGES

Zhou, Guangmin; Sun, Jie; Jin, Yang; ...

2017-01-30

A 3D graphene cage with a thin layer of electrodeposited nickel phosphosulfide for Li 2S impregnation, using ternary nickel phosphosulphide as a highly conductive coating layer for stabilized polysulfide chemistry, is accomplished by the combination of theoretical and experimental studies. As a result, the 3D interconnected graphene cage structure leads to high capacity, good rate capability and excellent cycling stability in a Li 2S cathode.

[Structure and properties of colored dental tetragonal zirconia stabilized by yttrium ceramics].

PubMed

Yi, Yuan-fu; Wang, Chen; Wen, Ning; Lin, Yong-zhao; Tian, Jie-mo

2009-10-01

To investigate the structure, mechanical and low temperature aging properties of colored dental zirconia ceramics. 5 graded colored dental zirconia ceramics were made by adding colorants and their combinations into a 3Y-TZP (tetragonal zirconia stabilized by 3mol% yttrium) powder, the green body were compacted at 200 MPa, pre-sinter at 1,050 degrees C and maintained for 2 h, then densely sintered at 1,500 degrees C for 2 h. Specimens were cut from each of the 5 graded colored blocks. Physical, mechanical properties as well as chemical stability were tested, microstructure were observed, crystalline phase were identified by X-ray diffraction (XRD), aging properties were assessed by measurement of the relative content of monoclinic phase and bending strength testing. The overall density of colored zirconia ceramics was over 99.7%, linear shrinkage was about 20%, while thermal expansion coefficient was about 11 x 10(-6) x degrees C(-1), the crystalline phase was tetragonal, bending strength was over 900 MPa which was slightly lowered than that of the uncolored zirconia, fracture toughness was slightly higher. Good chemical stability in acetic acid was observed. After aging treatment, tetragonal-to-monoclinic phase transformation was detected up to 40%, while bending strength was not significantly degraded. The results showed that colored 3Y-TZP ceramics presented good mechanical properties even after aging treatments, and was suitable for dental clinical use.

Structural stability and energetics of grain boundary triple junctions in face centered cubic materials

NASA Astrophysics Data System (ADS)

Adlakha, I.; Solanki, K. N.

2015-03-01

We present a systematic study to elucidate the role of triple junctions (TJs) and their constituent grain boundaries on the structural stability of nanocrystalline materials. Using atomistic simulations along with the nudge elastic band calculations, we explored the atomic structural and thermodynamic properties of TJs in three different fcc materials. We found that the magnitude of excess energy at a TJ was directly related to the atomic density of the metal. Further, the vacancy binding and migration energetics in the vicinity of the TJ were examined as they play a crucial role in the structural stability of NC materials. The resolved line tension which takes into account the stress buildup at the TJ was found to be a good measure in predicting the vacancy binding tendency near the TJ. The activation energy for vacancy migration along the TJ was directly correlated with the measured excess energy. Finally, we show that the resistance for vacancy diffusion increased for TJs with larger excess stored energy and the defect mobility at some TJs is slower than their constituent GBs. Hence, our results have general implications on the diffusional process in NC materials and provide new insight into stabilizing NC materials with tailored TJs.

Plutonium Metallurgy

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

Freibert, Franz J.

2012-08-09

Due to its nuclear properties, Pu will remain a material of global interest well into the future. Processing, Structure, Properties and Performance remains a good framework for discussion of Pu materials science Self-irradiation and aging effects continue to be central in discussions of Pu metallurgy Pu in its elemental form is extremely unstable, but alloying helps to stabilize Pu; but, questions remain as to how and why this stabilization occurs. Which is true Pu-Ga binary phase diagram: US or Russian? Metallurgical issues such as solute coring, phase instability, crystallographic texture, etc. result in challenges to casting, processing, and properties modelingmore » and experiments. For Ga alloyed FCC stabilized Pu, temperature and pressure remain as variables impacting phase stability.« less

Use of CdS quantum dot-functionalized cellulose nanocrystal films for anti-counterfeiting applications

NASA Astrophysics Data System (ADS)

Chen, L.; Lai, C.; Marchewka, R.; Berry, R. M.; Tam, K. C.

2016-07-01

Structural colors and photoluminescence have been widely used for anti-counterfeiting and security applications. We report for the first time the use of CdS quantum dot (QD)-functionalized cellulose nanocrystals (CNCs) as building blocks to fabricate nanothin films via layer-by-layer (LBL) self-assembly for anti-counterfeiting applications. Both negatively- and positively-charged CNC/QD nanohybrids with a high colloidal stability and a narrow particle size distribution were prepared. The controllable LBL coating process was characterized by scanning electron microscopy and ellipsometry. The rigid structure of CNCs leads to nanoporous structured films on poly(ethylene terephthalate) (PET) substrates with high transmittance (above 70%) over the entire range of visible light and also resulted in increased hydrophilicity (contact angles of ~40 degrees). Nanothin films on PET substrates showed good flexibility and enhanced stability in both water and ethanol. The modified PET films with structural colors from thin-film interference and photoluminescence from QDs can be used in anti-counterfeiting applications.Structural colors and photoluminescence have been widely used for anti-counterfeiting and security applications. We report for the first time the use of CdS quantum dot (QD)-functionalized cellulose nanocrystals (CNCs) as building blocks to fabricate nanothin films via layer-by-layer (LBL) self-assembly for anti-counterfeiting applications. Both negatively- and positively-charged CNC/QD nanohybrids with a high colloidal stability and a narrow particle size distribution were prepared. The controllable LBL coating process was characterized by scanning electron microscopy and ellipsometry. The rigid structure of CNCs leads to nanoporous structured films on poly(ethylene terephthalate) (PET) substrates with high transmittance (above 70%) over the entire range of visible light and also resulted in increased hydrophilicity (contact angles of ~40 degrees). Nanothin films on PET substrates showed good flexibility and enhanced stability in both water and ethanol. The modified PET films with structural colors from thin-film interference and photoluminescence from QDs can be used in anti-counterfeiting applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr03039d

When Is Ligand p Ka a Good Descriptor for Catalyst Energetics? In Search of Optimal CO2 Hydration Catalysts.

PubMed

Kim, Jeong Yun; Kulik, Heather J

2018-05-10

We present a detailed study of nearly 70 Zn molecular catalysts for CO 2 hydration from four diverse ligand classes ranging from well-studied carbonic anhydrase mimics (e.g., cyclen) to new structures we obtain by leveraging diverse hits from large organic libraries. Using microkinetic analysis and establishing linear free energy relationships, we confirm that turnover is sensitive to the relative thermodynamic stability of reactive hydroxyl and bound bicarbonate moieties. We observe a wide range of thermodynamic stabilities for these intermediates, showing up to 6 kcal/mol improvement over well-studied cyclen catalysts. We observe a good correlation between the p K a of the Zn-OH 2 moiety and the resulting relative stability of hydroxyl moieties over bicarbonate, which may be rationalized by the dominant effect of the difference in higher Zn-OH bond order in comparison to weaker bonding in bicarbonate and water. A direct relationship is identified between isolated organic ligand p K a and the p K a of a bound water molecule on the catalyst. Thus, organic ligand p K a , which is intuitive, easy to compute or tabulate, and much less sensitive to electronic structure method choice than whole-catalyst properties, is a good quantitative descriptor for predicting the effect of through-bond electronic effects on relative CO 2 hydration energetics. We expect this to be applicable to other reactions where is it essential to stabilize turnover-determining hydroxyl species with respect to more weakly bound moieties. Finally, we note exceptions for rigid ligands (e.g., porphyrins) that are observed to preferentially stabilize hydroxyl over bicarbonate without reducing p K a values as substantially. We expect the strategy outlined here, to (i) curate diverse ligands from large organic libraries and (ii) identify when ligand-only properties can determine catalyst energetics, to be broadly useful for both experimental and computational catalyst design.

Structural changes and thermal stability of charged LiNixMnyCozO₂ cathode materials studied by combined in situ time-resolved XRD and mass spectroscopy.

PubMed

Bak, Seong-Min; Hu, Enyuan; Zhou, Yongning; Yu, Xiqian; Senanayake, Sanjaya D; Cho, Sung-Jin; Kim, Kwang-Bum; Chung, Kyung Yoon; Yang, Xiao-Qing; Nam, Kyung-Wan

2014-12-24

Thermal stability of charged LiNixMnyCozO2 (NMC, with x + y + z = 1, x:y:z = 4:3:3 (NMC433), 5:3:2 (NMC532), 6:2:2 (NMC622), and 8:1:1 (NMC811)) cathode materials is systematically studied using combined in situ time-resolved X-ray diffraction and mass spectroscopy (TR-XRD/MS) techniques upon heating up to 600 °C. The TR-XRD/MS results indicate that the content of Ni, Co, and Mn significantly affects both the structural changes and the oxygen release features during heating: the more Ni and less Co and Mn, the lower the onset temperature of the phase transition (i.e., thermal decomposition) and the larger amount of oxygen release. Interestingly, the NMC532 seems to be the optimized composition to maintain a reasonably good thermal stability, comparable to the low-nickel-content materials (e.g., NMC333 and NMC433), while having a high capacity close to the high-nickel-content materials (e.g., NMC811 and NMC622). The origin of the thermal decomposition of NMC cathode materials was elucidated by the changes in the oxidation states of each transition metal (TM) cations (i.e., Ni, Co, and Mn) and their site preferences during thermal decomposition. It is revealed that Mn ions mainly occupy the 3a octahedral sites of a layered structure (R3̅m) but Co ions prefer to migrate to the 8a tetrahedral sites of a spinel structure (Fd3̅m) during the thermal decomposition. Such element-dependent cation migration plays a very important role in the thermal stability of NMC cathode materials. The reasonably good thermal stability and high capacity characteristics of the NMC532 composition is originated from the well-balanced ratio of nickel content to manganese and cobalt contents. This systematic study provides insight into the rational design of NMC-based cathode materials with a desired balance between thermal stability and high energy density.

Structural changes and thermal stability of charged LiNi xMn yCo zO 2 cathode materials studied by combined in situ time-resolved XRD and mass spectroscopy

DOE PAGES

Bak, Seong -Min; Hu, Enyuan; Zhou, Yongning; ...

2014-11-24

Thermal stability of charged LiNi xMn yCo zO 2 (NMC, with x + y + z = 1, x:y:z = 4:3:3 (NMC433), 5:3:2 (NMC532), 6:2:2 (NMC622), and 8:1:1 (NMC811)) cathode materials is systematically studied using combined in situ time- resolved X-ray diffraction and mass spectroscopy (TR-XRD/MS) techniques upon heating up to 600 °C. The TR-XRD/MS results indicate that the content of Ni, Co, and Mn significantly affects both the structural changes and the oxygen release features during heating: the more Ni and less Co and Mn, the lower the onset temperature of the phase transition (i.e., thermal decomposition) and themore » larger amount of oxygen release. Interestingly, the NMC532 seems to be the optimized composition to maintain a reasonably good thermal stability, comparable to the low-nickel-content materials (e.g., NMC333 and NMC433), while having a high capacity close to the high-nickel-content materials (e.g., NMC811 and NMC622). The origin of the thermal decomposition of NMC cathode materials was elucidated by the changes in the oxidation states of each transition metal (TM) cations (i.e., Ni, Co, and Mn) and their site preferences during thermal decomposition. It is revealed that Mn ions mainly occupy the 3a octahedral sites of a layered structure (R3¯m) but Co ions prefer to migrate to the 8a tetrahedral sites of a spinel structure (Fd3¯m) during the thermal decomposition. Such element-dependent cation migration plays a very important role in the thermal stability of NMC cathode materials. The reasonably good thermal stability and high capacity characteristics of the NMC532 composition is originated from the well-balanced ratio of nickel content to manganese and cobalt contents. As a result, this systematic study provides insight into the rational design of NMC-based cathode materials with a desired balance between thermal stability and high energy density.« less

Highly porous 3D nanofiber scaffold using an electrospinning technique.

PubMed

Kim, Geunhyung; Kim, WanDoo

2007-04-01

A successful 3D tissue-engineering scaffold must have a highly porous structure and good mechanical stability. High porosity and optimally designed pore size provide structural space for cell accommodation and migration and enable the exchange of nutrients between the scaffold and environment. Poly(epsilon-carprolactone) fibers were electrospun using an auxiliary electrode and chemical blowing agent (BA), and characterized according to porosity, pore size, and their mechanical properties. We also investigated the effect of the BA on the electrospinning processability. The growth characteristic of human dermal fibroblasts cells cultured in the webs showed the good adhesion with the blown web relative to a normal electrospun mat. The blown nanofiber web had good tensile properties and high porosity compared to a typical electrospun nanofiber scaffold. (c) 2006 Wiley Periodicals, Inc.

Insights into the structural features and stability of peptide nucleic acid with a D-prolyl-2-aminocyclopentane carboxylic acid backbone that binds to DNA and RNA.

PubMed

Poomsuk, Nattawee; Vilaivan, Tirayut; Siriwong, Khatcharin

2018-06-12

Peptide nucleic acid (PNA) is a powerful biomolecule with a wide variety of important applications. In this work, the molecular structures and binding affinity of PNA with a D-prolyl-2-aminocyclopentane carboxylic acid backbone (acpcPNA) that binds to both DNA and RNA were studied using molecular dynamics simulations. The simulated structures of acpcPNA-DNA and acpcPNA-RNA duplexes more closely resembled the typical structures of B-DNA and A-RNA than the corresponding duplexes of aegPNA. The calculated binding free energies are in good agreement with the experimental results that the acpcPNA-DNA duplex is more stable than the acpcPNA-RNA duplex regardless of the base sequences. The results provide further insights in the relationship between structure and stability of this unique PNA system. Copyright © 2018 Elsevier Inc. All rights reserved.

Toward oral delivery of biopharmaceuticals: an assessment of the gastrointestinal stability of 17 peptide drugs.

PubMed

Wang, Jie; Yadav, Vipul; Smart, Alice L; Tajiri, Shinichiro; Basit, Abdul W

2015-03-02

A major barrier to successful oral delivery of peptide and protein molecules is their inherent instability in the lumen of the gastrointestinal tract. The aim of this study was to determine the stability of 17 disparate peptide drugs (insulin, calcitonin, glucagon, secretin, somatostatin, desmopressin, oxytocin, [Arg(8)]-vasopressin, octreotide, ciclosporin, leuprolide, nafarelin, buserelin, histrelin, [d-Ser](4)-gonadorelin, deslorelin, and goserelin) in gastric and small intestinal fluids from both humans and pigs, and in simulated gastric and intestinal fluids. In human gastric fluid, the larger peptides including somatostatin, calcitonin, secretin, glucagon, and insulin were metabolized rapidly, while the smaller peptides showed good stability. In human small intestinal fluid, however, both small and large peptides degraded rapidly with the exception of the cyclic peptide ciclosporin and the disulfide-bridge containing peptides octreotide and desmopressin, which showed good stability. The stability of peptides in both simulated gastric fluid and pig gastric fluid correlated well with stability in human gastric fluid. However, it was not possible to establish such a correlation with the small intestinal fluids because of the rapid rate of peptide degradation. This work has identified the molecular features in the structure of a wide range of peptides that influence their stability in the environment of the gastrointestinal tract, which in turn will allow for better selection of peptide candidates for oral delivery.

Grape seed and apple tannins: emulsifying and antioxidant properties.

PubMed

Figueroa-Espinoza, Maria Cruz; Zafimahova, Andrea; Alvarado, Pedro G Maldonado; Dubreucq, Eric; Poncet-Legrand, Céline

2015-07-01

Tannins are natural antioxidants found in plant-based foods and beverages, whose amphiphilic nature could be useful to both stabilize emulsions and protect unsaturated lipids from oxidation. In this paper, the use of tannins as antioxidant emulsifiers was studied. The main parameters influencing the stability of emulsions (i.e. tannins structure and concentration, aqueous phase pH, and ionic strength) were identified and optimized. Oil in water emulsions stabilized with tannins were compared with those stabilized with two commercial emulsifying agents, poly(vinyl alcohol) (PVA) and polyoxyethylene hydrogenated castor oil. In optimized conditions, the condensed tannins allowed to obtain a stability equivalent to that of PVA. Tannins presented good antioxidant activity in oil in water emulsion, as measured by the conjugated autoxidizable triene (CAT) assay. Copyright © 2015 Elsevier Ltd. All rights reserved.

The study of the structural stability of the spiral laser beams propagation through inhomogeneous phase medium

NASA Astrophysics Data System (ADS)

Zinchik, Alexander A.; Muzychenko, Yana B.

2015-06-01

This paper discusses theoretical and experimental results of the investigation of light beams that retain their intensity structure during propagation and focusing. Spiral laser beams are a family of laser beams that preserve the structural stability up to scale and rotation with the propagation. Properties of spiral beams are of practical interest for laser technology, medicine and biotechnology. Researchers use a spiral beams for movement and manipulation of microparticles. Functionality laser manipulators can be significantly enhanced by using spiral beams whose intensity remains invariable. It is well known, that these beams has non-zero orbital angular momentum. Spiral beams have a complicated phase distribution in cross section. In this paper we investigate the structural stability of the laser beams having a spiral phase structure by passing them through an inhomogeneous phase medium. Laser beam is passed through a medium is characterized by a random distribution of phase in the range 0..2π. The modeling was performed using VirtualLab 5.0 (manufacturer LightTrans GmbH). Compared the intensity distribution of the spiral and ordinary laser beam after the passage of the inhomogeneous medium. It is shown that the spiral beams exhibit a significantly better structural stability during the passage phase heterogeneous environments than conventional laser beams. The results obtained in the simulation are tested experimentally. Experimental results show good agreement with the theoretical results.

Stability and Interaction of Coherent Structure in Supersonic Reactive Wakes

NASA Technical Reports Server (NTRS)

Menon, Suresh

1983-01-01

A theoretical formulation and analysis is presented for a study of the stability and interaction of coherent structure in reacting free shear layers. The physical problem under investigation is a premixed hydrogen-oxygen reacting shear layer in the wake of a thin flat plate. The coherent structure is modeled as a periodic disturbance and its stability is determined by the application of linearized hydrodynamic stability theory which results in a generalized eigenvalue problem for reactive flows. Detailed stability analysis of the reactive wake for neutral, symmetrical and antisymmetrical disturbance is presented. Reactive stability criteria is shown to be quite different from classical non-reactive stability. The interaction between the mean flow, coherent structure and fine-scale turbulence is theoretically formulated using the von-Kaman integral technique. Both time-averaging and conditional phase averaging are necessary to separate the three types of motion. The resulting integro-differential equations can then be solved subject to initial conditions with appropriate shape functions. In the laminar flow transition region of interest, the spatial interaction between the mean motion and coherent structure is calculated for both non-reactive and reactive conditions and compared with experimental data wherever available. The fine-scale turbulent motion determined by the application of integral analysis to the fluctuation equations. Since at present this turbulence model is still untested, turbulence is modeled in the interaction problem by a simple algebraic eddy viscosity model. The applicability of the integral turbulence model formulated here is studied parametrically by integrating these equations for the simple case of self-similar mean motion with assumed shape functions. The effect of the motion of the coherent structure is studied and very good agreement is obtained with previous experimental and theoretical works for non-reactive flow. For the reactive case, lack of experimental data made direct comparison difficult. It was determined that the growth rate of the disturbance amplitude is lower for reactive case. The results indicate that the reactive flow stability is in qualitative agreement with experimental observation.

Anomalous thermodynamic properties and phase stability of δ -Pu1 -xMx (M =Ga andAl ) alloys from first-principles calculations

NASA Astrophysics Data System (ADS)

Li, Chun-Mei; Yang, Rui; Johansson, Börje; Vitos, Levente

2016-12-01

The composition-dependent crystal structure, volume, elastic constants, and electronic structure of δ -Pu1 -xMx (M =Ga and Al,0 ≤x ≤0.1 ) alloys are systematically studied by using first-principles EMTO-CPA calculations. It is shown that the fcc and L 12 structures co-exist in the alloys with x ≤0.04 whereas for x >0.04 , the L 12 structure is more and more preferable and around x =0.1 , it tends to be stabilized alone. The evaluated V ˜x of the L 12 structure, being negative deviation from Vegard's law, turns out to be in good agreement with the experimental result. For x ≤0.04 , the estimated E , G , ν , and Θ of both the fcc and L 12 structures are in line with the measured data, whereas when x >0.04 , only those of the L 12 structure are close to the experimental results. The electronic hybridization between Pu and M atoms is dominated by Pu for the s ,d , and f states but M for the p state. The strong interactions between Pu and M atoms in the same site of the L 12 structure should be responsible for its relative stability in the alloys with x >0.04 . The electron-phonon coupling further decreases the phase stability of δ -Pu1 -xMx with increasing x .

Random and Block Sulfonated Polyaramides as Advanced Proton Exchange Membranes

DOE PAGES

Kinsinger, Corey L.; Liu, Yuan; Liu, Feilong; ...

2015-10-09

We present here the experimental and computational characterization of two novel copolyaramide proton exchange membranes (PEMs) with higher conductivity than Nafion at relatively high temperatures, good mechanical properties, high thermal stability, and the capability to operate in low humidity conditions. The random and block copolyaramide PEMs are found to possess different ion exchange capacities (IEC) in addition to subtle structural and morphological differences, which impact the stability and conductivity of the membranes. SAXS patterns indicate the ionomer peak for the dry block copolymer resides at q = 0.1 Å –1, which increases in amplitude when initially hydrated to 25% relativemore » humidity, but then decrease in amplitude with additional hydration. This pattern is hypothesized to signal the transport of water into the polymer matrix resulting in a reduced degree of phase separation. Coupled to these morphological changes, the enhanced proton transport characteristics and structural/mechanical stability for the block copolymer are hypothesized to be primarily due to the ordered structure of ionic clusters that create connected proton transport pathways while reducing swelling upon hydration. Interestingly, the random copolymer did not possess an ionomer peak at any of the hydration levels investigated, indicating a lack of any significant ionomer structure. The random copolymer also demonstrated higher proton conductivity than the block copolymer, which is opposite to the trend normally seen in polymer membranes. However, it has reduced structural/mechanical stability as compared to the block copolymer. In conclusion, this reduction in stability is due to the random morphology formed by entanglements of polymer chains and the adverse swelling characteristics upon hydration. Therefore, the block copolymer with its enhanced proton conductivity characteristics, as compared to Nafion, and favorable structural/mechanical stability, as compared to the random copolymer, represents a viable alternative to current proton exchange membranes.« less

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

Helfferich, Julian; Lyubimov, Ivan; Reid, Daniel

Glasses produced via physical vapor deposition can display greater kinetic stability and lower enthalpy than glasses prepared by liquid cooling. While the reduced enthalpy has often been used as a measure of the stability, it is not obvious whether dynamic measures of stability provide the same view. Here, we study dynamics in vapor-deposited and liquid-cooled glass films using molecular simulations of a bead-spring polymer model as well as a Lennard-Jones binary mixture in two and three dimensions. We confirm that the dynamics in vapor-deposited glasses is indeed slower than in ordinary glasses. We further show that the inherent structure energymore » is a good reporter of local dynamics, and that aged systems and glasses prepared by cooling at progressively slower rates exhibit the same behavior as vapor-deposited materials when they both have the same inherent structure energy. These findings suggest that the stability inferred from measurements of the energy is also manifested in dynamic observables, and they strengthen the view that vapor deposition processes provide an effective strategy for creation of stable glasses.« less

Cellular and dendritic growth in a binary melt - A marginal stability approach

NASA Technical Reports Server (NTRS)

Laxmanan, V.

1986-01-01

A simple model for the constrained growth of an array of cells or dendrites in a binary alloy in the presence of an imposed positive temperature gradient in the liquid is proposed, with the dendritic or cell tip radius calculated using the marginal stability criterion of Langer and Muller-Krumbhaar (1977). This approach, an approach adopting the ad hoc assumption of minimum undercooling at the cell or dendrite tip, and an approach based on the stability criterion of Trivedi (1980) all predict tip radii to within 30 percent of each other, and yield a simple relationship between the tip radius and the growth conditions. Good agreement is found between predictions and data obtained in a succinonitrile-acetone system, and under the present experimental conditions, the dendritic tip stability parameter value is found to be twice that obtained previously, possibly due to a transition in morphology from a cellular structure with just a few side branches, to a more fully developed dendritic structure.

Albumin-stabilized fluorescent silver nanodots

NASA Astrophysics Data System (ADS)

Sych, Tomash; Polyanichko, Alexander; Kononov, Alexei

2017-07-01

Ligand-stabilized Ag nanoclusters (NCs) possess many attractive features including high fluorescence quantum yield, large absorption cross-section, good photostability, large Stokes shift and two-photon absorption cross sections. While plenty of fluorescent clusters have been synthesized on various polymer templates, only a few studies have been reported on the fluorescent Ag clusters on peptides and proteins. We study silver NCs synthesized on different protein matrices, including bovine serum albumin, human serum albumin, egg albumin, equine serum albumin, and lysozyme. Our results show that red-emitting Ag NCs can effectively be stabilized by the disulfide bonds in proteins and that the looser structure of the denatured protein favors formation of the clusters.

Solvothermal Synthesis of a Hollow Micro-Sphere LiFePO4/C Composite with a Porous Interior Structure as a Cathode Material for Lithium Ion Batteries

PubMed Central

Liu, Yang; Zhang, Jieyu; Li, Ying; Hu, Yemin; Li, Wenxian; Zhu, Mingyuan; Hu, Pengfei; Chou, Shulei; Wang, Guoxiu

2017-01-01

To overcome the low lithium ion diffusion and slow electron transfer, a hollow micro sphere LiFePO4/C cathode material with a porous interior structure was synthesized via a solvothermal method by using ethylene glycol (EG) as the solvent medium and cetyltrimethylammonium bromide (CTAB) as the surfactant. In this strategy, the EG solvent inhibits the growth of the crystals and the CTAB surfactant boots the self-assembly of the primary nanoparticles to form hollow spheres. The resultant carbon-coat LiFePO4/C hollow micro-spheres have a ~300 nm thick shell/wall consisting of aggregated nanoparticles and a porous interior. When used as materials for lithium-ion batteries, the hollow micro spherical LiFePO4/C composite exhibits superior discharge capacity (163 mAh g−1 at 0.1 C), good high-rate discharge capacity (118 mAh g−1 at 10 C), and fine cycling stability (99.2% after 200 cycles at 0.1 C). The good electrochemical performances are attributed to a high rate of ionic/electronic conduction and the high structural stability arising from the nanosized primary particles and the micro-sized hollow spherical structure. PMID:29099814

Structural stability of anhydrous proton conducting SrZr0.9Er0.1O3-δ perovskite ceramic vs. protonation/deprotonation cycling: Neutron diffraction and Raman studies

NASA Astrophysics Data System (ADS)

Slodczyk, Aneta; Colomban, Philippe; Upasen, Settakorn; Grasset, Frédéric; André, Gilles

2015-08-01

Long-term chemical and structural stability of an ion conducting ceramic is one of the main criteria for its selection as an electrolytic membrane in energy plant devices. Consequently, medium density SrZr0.9Er0.1O3-δ (SZE) anhydrous proton conducting ceramic - a potential electrolyte of SOFC/PCFC, was analysed by neutron diffraction between room temperature and 900 °C. After the first heating/cooling cycle, the ceramic pieces were exposed to water vapour pressure in an autoclave (500 °C, 40 bar, 7 days) in order to incorporate protonic species; the protonated compound was then again analysed by neutron diffraction. This procedure was repeated two times. At each step, the sample was also controlled by TGA and Raman spectroscopy. These studies allow the first comprehensive comparison of structural and chemical stability during the protonation/deprotonation cycling. The results reveal good structural stability, although an irreversible small contraction of the unit-cell volume and local structure modifications near Zr/ErO5[] octahedra are detected after the first protonation. After the second protonation easy ceramic crumbling under a stress is observed because of the presence of secondary phases (SrCO3, Sr(OH)2) well detected by Raman scattering and TGA. The role of crystallographic purity, substituting element and residual porosity in the proton conducting perovskite electrolyte stability is discussed.

Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight Binding.

PubMed

Mortazavi, Majid; Brandenburg, Jan Gerit; Maurer, Reinhard J; Tkatchenko, Alexandre

2018-01-18

Accurate prediction of structure and stability of molecular crystals is crucial in materials science and requires reliable modeling of long-range dispersion interactions. Semiempirical electronic structure methods are computationally more efficient than their ab initio counterparts, allowing structure sampling with significant speedups. We combine the Tkatchenko-Scheffler van der Waals method (TS) and the many-body dispersion method (MBD) with third-order density functional tight-binding (DFTB3) via a charge population-based method. We find an overall good performance for the X23 benchmark database of molecular crystals, despite an underestimation of crystal volume that can be traced to the DFTB parametrization. We achieve accurate lattice energy predictions with DFT+MBD energetics on top of vdW-inclusive DFTB3 structures, resulting in a speedup of up to 3000 times compared with a full DFT treatment. This suggests that vdW-inclusive DFTB3 can serve as a viable structural prescreening tool in crystal structure prediction.

Ternary rare earth-lanthanide sulfides

DOEpatents

Takeshita, Takuo; Gschneidner JR., Karl A.; Beaudry, Bernard J.

1987-01-06

A new ternary rare earth sulfur compound having the formula: where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

High Electron Mobility and Disorder Induced by Silver Ion Migration Lead to Good Thermoelectric Performance in the Argyrodite Ag 8 SiSe 6

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

Heep, Barbara K.; Weldert, Kai S.; Krysiak, Yasar

Superionic chalcopyrites have recently attracted interest in their use as potential thermoelectric materials because of extraordinary low thermal conductivities. To overcome long-term stability issues in thermoelectric generators using superionic materials at evaluated temperatures, materials need to be found that show good thermoelectric performance at moderate temperatures. Here, we present the structural and thermoelectric properties of the argyrodite Ag 8SiSe 6, which exhibits promising thermoelectric performance close to room temperature.

Investigation of structural stability and elastic properties of CrH and MnH: A first principles study

NASA Astrophysics Data System (ADS)

Kanagaprabha, S.; Rajeswarapalanichamy, R.; Sudhapriyanga, G.; Murugan, A.; Santhosh, M.; Iyakutti, K.

2015-06-01

The structural and mechanical properties of CrH and MnH are investigated using first principles calculation based on density functional theory as implemented in VASP code with generalized gradient approximation. The calculated ground state properties are in good agreement with previous experimental and other theoretical results. A structural phase transition from NaCl to NiAs phase at a pressure of 76 GPa is predicted for both CrH and MnH.

Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity

DOE PAGES

Du, Mao -Hua; Singh, David J.; Zhang, Lijun; ...

2016-04-19

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(II) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(II)-based system, ternary alkaline-earth metal Sn(II) oxides in the stoichiometry of MSn 2O 3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn 2O 3 andmore » BaSn 2O 3, which can be stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO 3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn 2O 3) to 3.15 (SrSn 2O 3) eV, and hole effective masses ranging from 0.87 (BaSn 2O 3) to above 6.0 (SrSn 2O 3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. Lastly, this suggests further exploration of alkaline-earth metal Sn(II) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers.« less

Improving sedimentation stability of magnetorheological fluids using an organic molecular particle coating

NASA Astrophysics Data System (ADS)

Cheng, Haibin; Wang, Ming; Liu, Chaosheng; Wereley, Norman M.

2018-07-01

A key goal for implementation of magnetorheological fluids (MRFs) is to minimize sedimentation or to increase suspension stability. In this study, a series of MRF samples were synthesized by suspending carbonyl iron particles (CIPs), which had different organic molecules and auxiliaries grafted onto their surface, in silicone oil. The magnetorheology of these MRF samples was measured using a magneto-rheometer, and their sedimentation behaviors were quantitatively evaluated using a thermal conductivity sedimentation measurement method. The effect of these coatings on the stability of the MRFs was analyzed. Results show that all of the MRFs exhibit good MR effects and that the surface modification does not greatly weaken the MR effect. Suspension stability was substantially improved by grafting organic molecular structures onto the surface of the CIPs, and the sedimentation rate was influenced by the organic molecule structure. Compared to the uncoated CIPs, when the organic molecule was changed from octyl acyl ethylenediamine triacetate (C7H15COED3A) to lauryl acyl ethylenediamine triacetate (C11H23COED3A) and stearyl acyl ethylenediamine triacetate (C17H35COED3A), the sedimentation rate decreased by 53.9% to 64.2% and 75.1%, respectively. The mechanisms of how organic molecular structure affects the stability of MRFs are discussed.

First-principles study of the stability, magnetic and electronic properties of Fe and Co monoatomic chains encapsulated into copper nanotube

NASA Astrophysics Data System (ADS)

Ma, Liang-Cai; Ma, Ling; Zhang, Jian-Min

2017-07-01

By using first-principles calculations based on density-functional theory, the stability, magnetic and electronic properties of Fe and Co monoatomic chains encapsulated into copper nanotube are systematically investigated. The binding energies of the hybrid structures are remarkably higher than those of corresponding freestanding TM chains, indicating the TM chains are significantly stabilized after encapsulating into copper nanotube. The formed bonds between outer Cu and inner TM atoms show some degree of covalent bonding character. The magnetic ground states of Fe@CuNW and Co@CuNW hybrid structures are ferromagnetic, and both spin and orbital magnetic moments of inner TM atoms have been calculated. The magnetocrystalline anisotropy energies (MAE) of the hybrid structures are enhanced by nearly fourfold compared to those of corresponding freestanding TM chains, indicating that the hybrid structures can be used in ultrahigh density magnetic storage. Furthermore, the easy magnetization axis switches from that along the axis in freestanding Fe chain to that perpendicular to the axis in Fe@CuNT hybrid structure. The large spin polarization at the Fermi level also makes the hybrid systems interesting as good potential materials for spintronic devices.

Hierarchical Porous Interlocked Polymeric Microcapsules: Sulfonic Acid Functionalization as Acid Catalysts

NASA Astrophysics Data System (ADS)

Wang, Xiaomei; Gu, Jinyan; Tian, Lei; Zhang, Xu

2017-03-01

Owing to their unique structural and surface properties, mesoporous microspheres are widely applied in the catalytic field. Generally, increasing the surface area of the specific active phase of the catalyst is a good method, which can achieve a higher catalytic activity through the fabrication of the corresponding catalytic microspheres with the smaller size and hollow structure. However, one of the major challenges in the use of hollow microspheres (microcapsules) as catalysts is their chemical and structural stability. Herein, the grape-like hypercrosslinked polystyrene hierarchical porous interlocked microcapsule (HPIM-HCL-PS) is fabricated by SiO2 colloidal crystals templates, whose structure is the combination of open mouthed structure, mesoporous nanostructure and interlocked architecture. Numerous microcapsules assembling together and forming the roughly grape-like microcapsule aggregates can enhance the structural stability and recyclability of these microcapsules. After undergoing the sulfonation, the sulfonated HPIM-HCL-PS is served as recyclable acid catalyst for condensation reaction between benzaldehyde and ethylene glycol (TOF = 793 h-1), moreover, exhibits superior activity, selectivity and recyclability.

First-principles calculations of stability, electronic and elastic properties of the precipitates present in 7055 aluminum alloy

NASA Astrophysics Data System (ADS)

Huang, Cheng; Shao, Hongbang; Ma, Yunlong; Huang, Yuanchun; Xiao, Zhengbing

2018-04-01

The structural stability, electronic structures and elastic properties of the strengthening precipitates, namely Al3Zr, MgZn2, Al2CuMg and Al2Cu, present in 7055 aluminum alloy were investigated by the first-principles calculations based on density functional theory (DFT). The optimized structural parameters are in good agreement with literature values available. It is found that Al3Zr has the strongest alloying ability and structural stability, while for MgZn2, its structural stability is the worst. The calculated electronic results indicate that covalent bonding is the dominant cohesion of Al3Zr, whereas the fractional ionic interactions coexisting with metallic bonding are found in MgZn2, Al2CuMg and Al2Cu. The elastic constants Cij of these precipitates were calculated, and the bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio and universal elastic anisotropy were derived. It is suggested that MgZn2 is ductile, whereas Al3Zr, Al2CuMg and Al2Cu are brittle, and the elastic anisotropies of them increase in the following sequence: Al3Zr

Testing the factor structure of the Family Quality of Life Survey - 2006.

PubMed

Isaacs, B; Wang, M; Samuel, P; Ajuwon, P; Baum, N; Edwards, M; Rillotta, F

2012-01-01

Although the Family Quality of Life Survey - 2006 (FQOLS-2006) is being used in research, there is little evidence to support its hypothesised domain structure. The purpose of this study was to test the domain structure of the survey using confirmatory factor analysis. Samples from Australia, Canada, Nigeria and the USA were analysed using structural equation modelling. The data from Australia, Canada and the USA were combined on the assumption that these countries are similar, at least to some degree, in economic development, language and culture. The Nigerian data were analysed on its own. The analysis was undertaken in two phases. First, the hypothesis that each of nine domains of the FQOLS-2006 is a unidimensional construct that can reliably measure the dimensions Importance, Stability, Opportunities, Attainment, Stability and Satisfaction was tested. Second, the hypothesis that family quality of life (FQoL) is a single latent construct represented by the nine domains measured in the FQOLS-2006 was tested. In the first phase of the analysis, the Importance dimension was dropped because of skewness and lack of variance. The Stability dimension did not fit well within the individual domain model in both the Nigerian and the combined three countries' data. When Importance and Stability were excluded, the individual domain models showede good or acceptable fit when error variances of some dimensions were allowed to correlate. In the second phase of the analysis, the overall model, FQoL, represented by the nine domains of the FQOLS-2006 showed good fit in both data sets. The conceptual model of the FQOLS-2006 was supported with some qualifications. Each domain on the survey can be reliably measured by four dimensions Opportunities, Initiative, Attainment and Satisfaction. The dimensions of Importance and Stability, however, did not fit. Data reported on these dimensions from past and current studies should be interpreted with caution. The construct of FQoL is also reliably measured by the domains of the FQOLS-2006. Further research into the psychometric properties of the survey, particularly from a cross-cultural perspective, is needed. © 2011 The Authors. Journal of Intellectual Disability Research © 2011 Blackwell Publishing Ltd.

Discovery of potent, selective, orally active benzoxazepine-based Orexin-2 receptor antagonists.

PubMed

Fujimoto, Tatsuhiko; Kunitomo, Jun; Tomata, Yoshihide; Nishiyama, Keiji; Nakashima, Masato; Hirozane, Mariko; Yoshikubo, Shin-Ichi; Hirai, Keisuke; Marui, Shogo

2011-11-01

During our efforts to identify a series of potent, selective, orally active human Orexin-2 Receptor (OX2R) antagonists, we elucidated structure-activity relationship (SAR) on the 7-position of a benzoxazepine scaffold by utilizing Hammett σ(p) and Hansch-Fujita π value as aromatic substituent constants. The attempts led to the discovery of compound 1m, possessing good in vitro potency with over 100-fold selectivity against OX1R, good metabolic stability in human and rat liver microsome, good oral bioavailability in rats, and in vivo antagonistic activity in rats by oral administration. Copyright © 2011 Elsevier Ltd. All rights reserved.

Two-dimensional antimonene single crystals grown by van der Waals epitaxy.

PubMed

Ji, Jianping; Song, Xiufeng; Liu, Jizi; Yan, Zhong; Huo, Chengxue; Zhang, Shengli; Su, Meng; Liao, Lei; Wang, Wenhui; Ni, Zhenhua; Hao, Yufeng; Zeng, Haibo

2016-11-15

Unlike the unstable black phosphorous, another two-dimensional group-VA material, antimonene, was recently predicted to exhibit good stability and remarkable physical properties. However, the synthesis of high-quality monolayer or few-layer antimonenes, sparsely reported, has greatly hindered the development of this new field. Here, we report the van der Waals epitaxy growth of few-layer antimonene monocrystalline polygons, their atomical microstructure and stability in ambient condition. The high-quality, few-layer antimonene monocrystalline polygons can be synthesized on various substrates, including flexible ones, via van der Waals epitaxy growth. Raman spectroscopy and transmission electron microscopy reveal that the obtained antimonene polygons have buckled rhombohedral atomic structure, consistent with the theoretically predicted most stable β-phase allotrope. The very high stability of antimonenes was observed after aging in air for 30 days. First-principle and molecular dynamics simulation results confirmed that compared with phosphorene, antimonene is less likely to be oxidized and possesses higher thermodynamic stability in oxygen atmosphere at room temperature. Moreover, antimonene polygons show high electrical conductivity up to 10 4  S m -1 and good optical transparency in the visible light range, promising in transparent conductive electrode applications.

Two-dimensional antimonene single crystals grown by van der Waals epitaxy

PubMed Central

Ji, Jianping; Song, Xiufeng; Liu, Jizi; Yan, Zhong; Huo, Chengxue; Zhang, Shengli; Su, Meng; Liao, Lei; Wang, Wenhui; Ni, Zhenhua; Hao, Yufeng; Zeng, Haibo

2016-01-01

Unlike the unstable black phosphorous, another two-dimensional group-VA material, antimonene, was recently predicted to exhibit good stability and remarkable physical properties. However, the synthesis of high-quality monolayer or few-layer antimonenes, sparsely reported, has greatly hindered the development of this new field. Here, we report the van der Waals epitaxy growth of few-layer antimonene monocrystalline polygons, their atomical microstructure and stability in ambient condition. The high-quality, few-layer antimonene monocrystalline polygons can be synthesized on various substrates, including flexible ones, via van der Waals epitaxy growth. Raman spectroscopy and transmission electron microscopy reveal that the obtained antimonene polygons have buckled rhombohedral atomic structure, consistent with the theoretically predicted most stable β-phase allotrope. The very high stability of antimonenes was observed after aging in air for 30 days. First-principle and molecular dynamics simulation results confirmed that compared with phosphorene, antimonene is less likely to be oxidized and possesses higher thermodynamic stability in oxygen atmosphere at room temperature. Moreover, antimonene polygons show high electrical conductivity up to 104 S m−1 and good optical transparency in the visible light range, promising in transparent conductive electrode applications. PMID:27845327

Solid Lipid Nanoparticles and Nanostructured Lipid Carriers: Structure, Preparation and Application

PubMed Central

Naseri, Neda; Valizadeh, Hadi; Zakeri-Milani, Parvin

2015-01-01

Lipid nanoparticles (LNPs) have attracted special interest during last few decades. Solid lipid nanoparticles (SLNs) and nanostructured lipid carriers (NLCs) are two major types of Lipid-based nanoparticles. SLNs were developed to overcome the limitations of other colloidal carriers, such as emulsions, liposomes and polymeric nanoparticles because they have advantages like good release profile and targeted drug delivery with excellent physical stability. In the next generation of the lipid nanoparticle, NLCs are modified SLNs which improve the stability and capacity loading. Three structural models of NLCs have been proposed. These LNPs have potential applications in drug delivery field, research, cosmetics, clinical medicine, etc. This article focuses on features, structure and innovation of LNPs and presents a wide discussion about preparation methods, advantages, disadvantages and applications of LNPs by focusing on SLNs and NLCs. PMID:26504751

The challenges of achieving good electrical and mechanical properties when making structural supercapacitors

NASA Astrophysics Data System (ADS)

Ciocanel, C.; Browder, C.; Simpson, C.; Colburn, R.

2013-04-01

The paper presents results associated with the electro-mechanical characterization of a composite material with power storage capability, identified throughout the paper as a structural supercapacitor. The structural supercapacitor uses electrodes made of carbon fiber weave, a separator made of Celgard 3501, and a solid PEG-based polymer blend electrolyte. To be a viable structural supercapacitor, the material has to have good mechanical and power storage/electrical properties. The literature in this area is inconsistent on which electrical properties are evaluated, and how those properties are assessed. In general, measurements of capacitance or specific capacitance (i.e. capacitance per unit area or per unit volume) are made, without considering other properties such as leakage resistance and equivalent series resistance of the supercapacitor. This paper highlights the significance of these additional electrical properties, discusses the fluctuation of capacitance over time, and proposes methods to improve the stability of the material's electric properties over time.

Shape control of Co3O4 micro-structures for high-performance gas sensor

NASA Astrophysics Data System (ADS)

Zhou, Qu; Zeng, Wen

2018-01-01

Recently, spinel cobalt oxide (Co3O4) structure has been widely investigated due to its excellent sensitivity towards various noxious gases and good response/recovery speed at low concentration. In this work, we designed and synthesized two kinds of different Co3O4 micro-structure (cube and octahedron) with a similar size. After fabricating them into gas sensors, we found that the crystal plane structure of Co3O4 has an important effect on its gas sensing performance. Furthermore, the {111} planes of Co3O4may be more sensitive than {100} planes to various testing gases. Co3O4 octahedrons micro-structure exhibits an excellent sensitivity (about 12.6), good response/recovery speed and cycling stability (no decline even after 2 days) under 50 ppm ethanol gases at working temperature of 200 °C. As such, thisCo3O4 octahedrons micro-structure is a promising candidate for a high-performance gas sensing material.

M3Ag17(SPh)12 Nanoparticles and Their Structure Prediction.

PubMed

Wickramasinghe, Sameera; Atnagulov, Aydar; Conn, Brian E; Yoon, Bokwon; Barnett, Robert N; Griffith, Wendell P; Landman, Uzi; Bigioni, Terry P

2015-09-16

Although silver nanoparticles are of great fundamental and practical interest, only one structure has been determined thus far: M4Ag44(SPh)30, where M is a monocation, and SPh is an aromatic thiolate ligand. This is in part due to the fact that no other molecular silver nanoparticles have been synthesized with aromatic thiolate ligands. Here we report the synthesis of M3Ag17(4-tert-butylbenzene-thiol)12, which has good stability and an unusual optical spectrum. We also present a rational strategy for predicting the structure of this molecule. First-principles calculations support the structural model, predict a HOMO-LUMO energy gap of 1.77 eV, and predict a new "monomer mount" capping motif, Ag(SR)3, for Ag nanoparticles. The calculated optical absorption spectrum is in good correspondence with the measured spectrum. Heteroatom substitution was also used as a structural probe. First-principles calculations based on the structural model predicted a strong preference for a single Au atom substitution in agreement with experiment.

Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

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

Bachhuber, Frederik; School of Chemical Sciences, University of Auckland, Private Bag 92019, Auckland; Krach, Alexander

2015-03-15

Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine theirmore » stabilities, competing binary MT{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs{sub 2} type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS{sub 2}.« less

Application of Improved APO Algorithm in Vulnerability Assessment and Reconstruction of Microgrid

NASA Astrophysics Data System (ADS)

Xie, Jili; Ma, Hailing

2018-01-01

Artificial Physics Optimization (APO) has good global search ability and can avoid the premature convergence phenomenon in PSO algorithm, which has good stability of fast convergence and robustness. On the basis of APO of the vector model, a reactive power optimization algorithm based on improved APO algorithm is proposed for the static structure and dynamic operation characteristics of microgrid. The simulation test is carried out through the IEEE 30-bus system and the result shows that the algorithm has better efficiency and accuracy compared with other optimization algorithms.

[The use of a prolene double mesh for orbital wall reconstruction].

PubMed

Junceda-Moreno, J; Suárez-Suárez, E; Dos-Santos-Bernardo, V

2005-08-01

Patient with a recurrent carcinoma of the nasal fossae affecting the internal orbital wall. The intraorbital content was not affected. The orbital wall was reconstructed with a prolene double mesh anchored to the periosteum. Prolene mesh as a substitute of the orbital wall. Good stability and isolation of the intraorbital structures were observed. Ocular motility was completely normal after surgery without prolene mesh displacements. The prolene double mesh is a good surgical option to replace missing bone in the reconstruction of the internal orbital wall.

Metal-Organic-Framework-Derived Yolk-Shell-Structured Cobalt-Based Bimetallic Oxide Polyhedron with High Activity for Electrocatalytic Oxygen Evolution.

PubMed

Yu, Zhou; Bai, Yu; Liu, Yuxuan; Zhang, Shimin; Chen, Dandan; Zhang, Naiqing; Sun, Kening

2017-09-20

The development of inexpensive, efficient, and environmentally friendly catalysts for oxygen evolution reaction (OER) is of great significant for green energy utilization. Herein, binary metal oxides (M x Co 3-x O 4 , M = Zn, Ni, and Cu) with yolk-shell polyhedron (YSP) structure were fabricated by facile pyrolysis of bimetallic zeolitic imidazolate frameworks (MCo-ZIFs). Benefiting from the synergistic effects of metal ions and the unique yolk-shell structure, M x Co 3-x O 4 YSP displays good OER catalytic activity in alkaline media. Impressively, Zn x Co 3-x O 4 YSP shows a comparable overpotential of 337 mV at 10 mA cm -2 to commercial RuO 2 and exhibits superior long-term durability. The high activity and good stability reveals its promising application.

Back posture education in elementary schoolchildren: stability of two-year intervention effects.

PubMed

Geldhof, E; Cardon, G; De Bourdeaudhuij, I; De Clercq, D

2007-09-01

The study's first objective was to evaluate class teachers' efforts to promote good body mechanics after a structured back education program was finished and to evaluate whether their support during follow-up resulted in better intervention effects at 1-year follow-up. Secondary, the stability of intervention effects on children's back posture knowledge, fear-avoidance beliefs and back pain reports following a 2-school-year multi-factorial back education program was evaluated at 1-year follow-up. An additional focus was put on what young children learned about good body mechanics in the obligatory school curriculum compared to intensive back posture promotion. The quasi-experimental study included at baseline 398 elementary schoolchildren aged 8-11 years. The back education program consisted of 13 h back education and the stimulation of postural dynamism in the class through support and environmental changes lasting 2 school-years. Controls received the obligatory curriculum, not including back education. Evaluation consisted of a questionnaire, which was filled out by 121 intervention children and 124 controls at baseline, post-test and follow-up. Teachers were interviewed at the end of the follow-up school-year. Teachers continued with initiatives to increase postural dynamism in the class when they had been instructed about that matter. However, teachers' efforts to continue the promotion of good body mechanics showed no additional effect on children's knowledge. Improved back posture knowledge demonstrated stability at 1-year follow-up. Whereas the obligatory curriculum provided children with fundamental postural knowledge, the back posture program added important aspects. Fear-avoidance beliefs and self-reported pain were not increased at 1-year follow-up. The stable intervention effects point out that intensive implementation of a structured multifactorial back education program in the elementary school curriculum is effective.

Defect Effects on TiO2 Nanosheets: Stabilizing Single Atomic Site Au and Promoting Catalytic Properties.

PubMed

Wan, Jiawei; Chen, Wenxing; Jia, Chuanyi; Zheng, Lirong; Dong, Juncai; Zheng, Xusheng; Wang, Yu; Yan, Wensheng; Chen, Chen; Peng, Qing; Wang, Dingsheng; Li, Yadong

2018-03-01

Isolated single atomic site catalysts have attracted great interest due to their remarkable catalytic properties. Because of their high surface energy, single atoms are highly mobile and tend to form aggregate during synthetic and catalytic processes. Therefore, it is a significant challenge to fabricate isolated single atomic site catalysts with good stability. Herein, a gentle method to stabilize single atomic site metal by constructing defects on the surface of supports is presented. As a proof of concept, single atomic site Au supported on defective TiO 2 nanosheets is prepared and it is discovered that (1) the surface defects on TiO 2 nanosheets can effectively stabilize Au single atomic sites through forming the Ti-Au-Ti structure; and (2) the Ti-Au-Ti structure can also promote the catalytic properties through reducing the energy barrier and relieving the competitive adsorption on isolated Au atomic sites. It is believed that this work paves a way to design stable and active single atomic site catalysts on oxide supports. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A sensitive glucose biosensor based on Ag@C core-shell matrix.

PubMed

Zhou, Xuan; Dai, Xingxin; Li, Jianguo; Long, Yumei; Li, Weifeng; Tu, Yifeng

2015-04-01

Nano-Ag particles were coated with colloidal carbon (Ag@C) to improve its biocompatibility and chemical stability for the preparation of biosensor. The core-shell structure was evidenced by transmission electron microscope (TEM) and the Fourier transfer infrared (FTIR) spectra revealed that the carbon shell is rich of function groups such as -OH and -COOH. The as-prepared Ag@C core-shell structure can offer favorable microenvironment for immobilizing glucose oxidase and the direct electrochemistry process of glucose oxidase (GOD) at Ag@C modified glassy carbon electrode (GCE) was realized. The modified electrode exhibited good response to glucose. Under optimum experimental conditions the biosensor linearly responded to glucose concentration in the range of 0.05-2.5mM, with a detection limit of 0.02mM (S/N=3). The apparent Michaelis-Menten constant (KM(app)) of the biosensor is calculated to be 1.7mM, suggesting high enzymatic activity and affinity toward glucose. In addition, the GOD-Ag@C/Nafion/GCE shows good reproducibility and long-term stability. These results suggested that core-shell structured Ag@C is an ideal matrix for the immobilization of the redox enzymes and further the construction of the sensitive enzyme biosensor. Copyright © 2015 Elsevier B.V. All rights reserved.

Novel method for controllable fabrication of a superhydrophobic CuO surface on AZ91D magnesium alloy.

PubMed

She, Zuxin; Li, Qing; Wang, Zhongwei; Li, Longqin; Chen, Funan; Zhou, Juncen

2012-08-01

A novel method for controllable fabrication of a superhydrophobic CuO surface on AZ91D magnesium alloy is reported in this paper. Hierarchical structure composed of micro/nano-featherlike CuO was obtained by electrodeposition of Cu-Zn alloy coating and subsequently an electrochemical anodic treatment in alkaline solution. After modification with lauric acid, the surface became hydrophobicity/superhydrophobicity. The formation of featherlike CuO structures was controllable by varying the coating composition. By applying SEM, ICP-AES, and water contact angle analysis, the effects of coating composition on the surface morphology and hydrophobicity of the as-prepared surfaces were detailedly studied. The results indicated that at the optimal condition, the surface showed a good superhydrophobicity with a water contact angle as high as 155.5 ± 1.3° and a sliding angle as low as about 3°. Possible growth mechanism of featherlike CuO hierarchical structure was discussed. Additionally, the anticorrosion effect of the superhydrophobic surface was studied by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) measurements. The interface model for anticorrosion mechanism of superhydrophobic surface in corrosive medium was proposed. Besides, the mechanical stability test indicated that the resulting superhydrophobic surfaces have good mechanical stability.

Experimental investigation of piloted flameholders

NASA Technical Reports Server (NTRS)

Guo, C. F.; Zhang, Y. H.; Xie, Q. M.

1986-01-01

Four configurations of piloted flameholders were tested. The range of flame stabilization, flame propagation, pressure oscillation during ignition, and pressure drop of the configurations were determined. Some tests showed a very strong effect of inlet flow velocity profile and flameholder geometry on flame stabilization. These tests led to the following conclusions. (1) The use of a piloted flameholder in the turbofan augmentor may minimize the peak pressure rise during ignition. At the present experimental conditions, delta P/P asterisk over 2 is less than 10 percent; therefore, the use of a piloted flameholder is a good method to realize soft ignition. (2) The geometry of the piloted flameholder and the amount of fuel injected into the flameholder have a strong effect on the pressure oscillation during ignition of the fuel-air mixture in the secondary zone. (3) Compared with the V-gutter flameholder with holes in its wall, the V-gutter flameholder without holes not only has advantages such as simple structure and good rigidity but offers a wide combustion stability limit and a high capability of igniting the fuel-air mixture of the secondary zone.

Ternary rare earth-lanthanide sulfides. [Re = Eu, Sm or Yb

DOEpatents

Takeshita, Takuo; Gschneidner, K.A. Jr.; Beaudry, B.J.

1986-03-06

Disclosed is a new ternary rare earth sulfur compound having the formula La/sub 3-x/M/sub x/S/sub 4/, where M is europium, samarium, or ytterbium, with x = 0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000/sup 0/C.

Psychometric Properties of the French Version of the Adult Dispositional Hope Scale

ERIC Educational Resources Information Center

Gana, Kamel; Daigre, Stephanie; Ledrich, Julie

2013-01-01

In this article, we present a French adaptation and validation of the Adult Dispositional Hope Scale (ADHS). The sample was composed of 310 French adults. We found that the ADHS scores demonstrated good reliability as well as adequate temporal stability. Confirmatory factor analyses (CFA) supported a bifactorial structure of the scale. The two…

Ternary rare earth-lanthanide sulfides

DOEpatents

Takeshita, Takuo; Gschneidner, Jr., Karl A.; Beaudry, Bernard J.

1987-01-06

A new ternary rare earth sulfur compound having the formula: La.sub.3-x M.sub.x S.sub.4 where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

A Flexible Caterpillar-Like Gold Nanoparticle Assemblies with Ultrasmall Nanogaps for Enhanced Dual-Modal Imaging and Photothermal Therapy.

PubMed

Xia, Yuanzhi; Ma, Xuehua; Gao, Junhua; Chen, Guoxin; Li, Zihou; Wu, Xiaoxia; Yu, Zhangsen; Xing, Jie; Sun, Li; Ruan, Huimin; Luo, Lijia; Xiang, Lingchao; Dong, Chen; Ren, Wenzhi; Shen, Zheyu; Wu, Aiguo

2018-05-01

Gold nanoparticle (AuNP) assemblies (GNAs) have attracted attention since enhanced coupling plasmonic resonance (CPR) emerged in the nanogap between coupling AuNPs. For one dimensional GNAs (1D-GNAs), most CPR from the nanogaps could be easily activated by electromagnetic waves and generate drastically enhanced CPR because the nanogaps between coupling AuNPs are linearly distributed in the 1D-GNAs. The reported studies focus on the synthesis of 1D-GNAs and fundamental exploration of CPR. There are still problems which impede further applications in nanomedicine, such as big size (>500 nm), poor water solubility, and/or poor stability. In this study, a kind of 1D flexible caterpillar-like GNAs (CL-GNAs) with ultrasmall nanogaps, good water solubility, and good stability is developed. The CL-GNAs have a flexible structure that can randomly move to change their morphology, which is rarely reported. Numerous ultrasmall nanogaps (<1 nm) are linearly distributed along the structure of CL-GNAs and generate enhanced CPR. The toxicity assessments in vitro and vivo respectively demonstrate that CL-GNAs have a low cytotoxicity and good biocompatibility. The CL-GNAs can be used as an efficient photothermal agent for photothermal therapy, a probe for Raman imaging and photothermal imaging. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dipole-allowed direct band gap silicon superlattices

PubMed Central

Oh, Young Jun; Lee, In-Ho; Kim, Sunghyun; Lee, Jooyoung; Chang, Kee Joo

2015-01-01

Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding. PMID:26656482

In Situ Synthesis of Vertical Standing Nanosized NiO Encapsulated in Graphene as Electrodes for High-Performance Supercapacitors.

PubMed

Lin, Jinghuang; Jia, Henan; Liang, Haoyan; Chen, Shulin; Cai, Yifei; Qi, Junlei; Qu, Chaoqun; Cao, Jian; Fei, Weidong; Feng, Jicai

2018-03-01

NiO is a promising electrode material for supercapacitors. Herein, the novel vertically standing nanosized NiO encapsulated in graphene layers (G@NiO) are rationally designed and synthesized as nanosheet arrays. This unique vertical standing structure of G@NiO nanosheet arrays can enlarge the accessible surface area with electrolytes, and has the benefits of short ion diffusion path and good charge transport. Further, an interconnected graphene conductive network acts as binder to encapsulate the nanosized NiO particles as core-shell structure, which can promote the charge transport and maintain the structural stability. Consequently, the optimized G@NiO hybrid electrodes exhibit a remarkably enhanced specific capacity up to 1073 C g -1 and excellent cycling stability. This study provides a facial strategy to design and construct high-performance metal oxides for energy storage.

Refractometric sensitivity and thermal stabilization of fluorescent core microcapillary sensors: theory and experiment.

PubMed

Lane, S; Marsiglio, F; Zhi, Y; Meldrum, A

2015-02-20

Fluorescent-core microcapillaries (FCMs) present a robust basis for the application of optical whispering gallery modes toward refractometric sensing. An important question concerns whether these devices can be rendered insensitive to local temperature fluctuations, which may otherwise limit their refractometric detection limits, mainly as a result of thermorefractive effects. Here, we first use a standard cylindrical cavity formalism to develop the refractometric and thermally limited detection limits for the FCM structure. We then measure the thermal response of a real device with different analytes in the channel and compare the result to the theory. Good stability against temperature fluctuations was obtained for an ethanol solvent, with a near-zero observed thermal shift for the transverse magnetic modes. Similarly good results could in principle be obtained for any other solvent (e.g., water), if the thickness of the fluorescent layer can be sufficiently well controlled.

Systematic model researches on the stability limits of the DVL series of float designs

NASA Technical Reports Server (NTRS)

Sottorf, W.

1949-01-01

To determine the trim range in which a seaplane can take off without porpoising, stability tests were made of a Plexiglas model, composed of float, wing, and tailplane, which corresponded to a full-size research airplane. The model and full-size stability limits are in good agreement. After all structural parts pertaining to the air frame were removed gradually, the aerodynamic forces replaced by weight forces, and the moment of inertia and position of the center of gravity changed, no marked change of limits of the stable zone was noticeable. The latter, therefore, is for practical purposes affected only by hydrodynamic phenomena. The stability limits of the DVL family of floats were determined by a systematic investigation independent of any particular sea-plane design, thus a seaplane may be designed to give a run free from porpoising.

Thermally Stable and Electrically Conductive, Vertically Aligned Carbon Nanotube/Silicon Infiltrated Composite Structures for High-Temperature Electrodes.

PubMed

Zou, Qi Ming; Deng, Lei Min; Li, Da Wei; Zhou, Yun Shen; Golgir, Hossein Rabiee; Keramatnejad, Kamran; Fan, Li Sha; Jiang, Lan; Silvain, Jean-Francois; Lu, Yong Feng

2017-10-25

Traditional ceramic-based, high-temperature electrode materials (e.g., lanthanum chromate) are severely limited due to their conditional electrical conductivity and poor stability under harsh circumstances. Advanced composite structures based on vertically aligned carbon nanotubes (VACNTs) and high-temperature ceramics are expected to address this grand challenge, in which ceramic serves as a shielding layer protecting the VACNTs from the oxidation and erosive environment, while the VACNTs work as a conductor. However, it is still a great challenge to fabricate VACNT/ceramic composite structures due to the limited diffusion of ceramics inside the VACNT arrays. In this work, we report on the controllable fabrication of infiltrated (and noninfiltrated) VACNT/silicon composite structures via thermal chemical vapor deposition (CVD) [and laser-assisted CVD]. In laser-assisted CVD, low-crystalline silicon (Si) was quickly deposited at the VACNT subsurfaces/surfaces followed by the formation of high-crystalline Si layers, thus resulting in noninfiltrated composite structures. Unlike laser-assisted CVD, thermal CVD activated the precursors inside and outside the VACNTs simultaneously, which realized uniform infiltrated VACNT/Si composite structures. The growth mechanisms for infiltrated and noninfiltrated VACNT/ceramic composites, which we attributed to the different temperature distributions and gas diffusion mechanism in VACNTs, were investigated. More importantly, the as-farbicated composite structures exhibited excellent multifunctional properties, such as excellent antioxidative ability (up to 1100 °C), high thermal stability (up to 1400 °C), good high velocity hot gas erosion resistance, and good electrical conductivity (∼8.95 Sm -1 at 823 K). The work presented here brings a simple, new approach to the fabrication of advanced composite structures for hot electrode applications.

Synthesis, Structural and Antioxidant Studies of Some Novel N-Ethyl Phthalimide Esters

PubMed Central

Chandraju, Siddegowda; Win, Yip-Foo; Tan, Weng Kang; Quah, Ching Kheng; Fun, Hoong-Kun

2015-01-01

A series of N-ethyl phthalimide esters 4(a-n) were synthesized and characterized by spectroscopic studies. Further, the molecular structure of majority of compounds were analysed by single crystal X-ray diffraction studies. The X-ray analysis revealed the importance of substituents on the crystal stability and molecular packing. All the synthesized compounds were tested for in vitro antioxidant activity by DPPH radical scavenging, FRAP and CUPRAC methods. Few of them have shown good antioxidant activity. PMID:25742494

Organic light emitting diodes with structured electrodes

DOEpatents

Mao, Samuel S.; Liu, Gao; Johnson, Stephen G.

2012-12-04

A cathode that contain nanostructures that extend into the organic layer of an OLED has been described. The cathode can have an array of nanotubes or a layer of nanoclusters extending out from its surface. In another arrangement, the cathode is patterned and etched to form protruding nanostructures using a standard lithographic process. Various methods for fabricating these structures are provided, all of which are compatible with large-scale manufacturing. OLEDs made with these novel electrodes have greatly enhanced electron injection, have good environmental stability.

Synthesis, structural and antioxidant studies of some novel N-ethyl phthalimide esters.

PubMed

Chidan Kumar, C S; Loh, Wan-Sin; Chandraju, Siddegowda; Win, Yip-Foo; Tan, Weng Kang; Quah, Ching Kheng; Fun, Hoong-Kun

2015-01-01

A series of N-ethyl phthalimide esters 4(a-n) were synthesized and characterized by spectroscopic studies. Further, the molecular structure of majority of compounds were analysed by single crystal X-ray diffraction studies. The X-ray analysis revealed the importance of substituents on the crystal stability and molecular packing. All the synthesized compounds were tested for in vitro antioxidant activity by DPPH radical scavenging, FRAP and CUPRAC methods. Few of them have shown good antioxidant activity.

Oil-in-water emulsions stabilised by cellulose ethers: stability, structure and in vitro digestion.

PubMed

Borreani, Jennifer; Espert, María; Salvador, Ana; Sanz, Teresa; Quiles, Amparo; Hernando, Isabel

2017-04-19

The effect of cellulose ethers in oil-in-water emulsions on stability during storage and on texture, microstructure and lipid digestibility during in vitro gastrointestinal digestion was investigated. All the cellulose ether emulsions showed good physical and oxidative stability during storage. In particular, the methylcellulose with high methoxyl substituents (HMC) made it possible to obtain emulsions with high consistency which remained almost unchanged during gastric digestion, and thus could enhance fullness and satiety perceptions at gastric level. Moreover, the HMC emulsion slowed down lipid digestion to a greater extent than a conventional protein emulsion or the emulsions stabilised by the other cellulose ethers. Therefore, HMC emulsions could be used in weight management to increase satiation capacity and decrease lipid digestion.

Synthesis of unsymmetrical dimethylhydrazine oxalate from rejected liquid rocket propellant

NASA Astrophysics Data System (ADS)

Mu, Xiaogang; Yang, Jingjing; Zhang, Youzhi

2018-02-01

The rejected liquid propellant unsymmetrical dimethylhydrazine (UDMH) was converted to UDMH oxalate, which has commercial value. The UDMH oxalate structure and stability were investigated by the Fourier transform infrared spectroscopy, nuclear magnetic resonance spectroscopy, differential scanning calorimetry, and ultraviolet-visible spectrophotometric analysis. The results indicate that UDMH oxalate has good thermal and aqueous solution stability, a melting point of 144 °C, an initial decomposition temperature of 180 °C, and a peak wavelength of UV in aqueous solution at λ = 204 nm. This disposal method of rejected UDMH is highly efficient and environmentally safe.

Ab Initio High Pressure and Temperature Investigation on Cubic PbMoO3 Perovskite

NASA Astrophysics Data System (ADS)

Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar

2017-12-01

A combined high pressure and temperature investigation on recently reported cubic perovskite PbMoO3 have been performed within the most accurate density functional theory (DFT). The structure was found stable in cubic paramagnetic phase. The DFT calculated analytical and experimental lattice constant were found in good agreement. The analytical tolerance factor as well as the elastic properties further verifies the cubic stability for PbMoO3. The spin polarized electronic band structure and density of states presented metallic nature with symmetry in up and down states. The insignificant magnetic moment also confirms the paramagnetic nature for the compound. The high pressure elastic and mechanical study up to 35 GPa reveal the structural stability of the material in this pressure range. The compound was found to establish a ductile nature. The electrical conductivity obtained from the band structure results show a decreasing trend with increasing temperature. The temperature dependence of thermodynamic parameters such as specific heat ( C v), thermal expansion ( α) has also been evaluated.

A Review of the Structure, Preparation, and Application of NLCs, PNPs, and PLNs.

PubMed

Li, Qianwen; Cai, Tiange; Huang, Yinghong; Xia, Xi; Cole, Susan P C; Cai, Yu

2017-05-27

Nanostructured lipid carriers (NLCs) are modified solid lipid nanoparticles (SLNs) that retain the characteristics of the SLN, improve drug stability and loading capacity, and prevent drug leakage. Polymer nanoparticles (PNPs) are an important component of drug delivery. These nanoparticles can effectively direct drug delivery to specific targets and improve drug stability and controlled drug release. Lipid-polymer nanoparticles (PLNs), a new type of carrier that combines liposomes and polymers, have been employed in recent years. These nanoparticles possess the complementary advantages of PNPs and liposomes. A PLN is composed of a core-shell structure; the polymer core provides a stable structure, and the phospholipid shell offers good biocompatibility. As such, the two components increase the drug encapsulation efficiency rate, facilitate surface modification, and prevent leakage of water-soluble drugs. Hence, we have reviewed the current state of development for the NLCs', PNPs', and PLNs' structures, preparation, and applications over the past five years, to provide the basis for further study on a controlled release drug delivery system.

A Review of the Structure, Preparation, and Application of NLCs, PNPs, and PLNs

PubMed Central

Li, Qianwen; Cai, Tiange; Huang, Yinghong; Xia, Xi; Cole, Susan P. C.; Cai, Yu

2017-01-01

Nanostructured lipid carriers (NLCs) are modified solid lipid nanoparticles (SLNs) that retain the characteristics of the SLN, improve drug stability and loading capacity, and prevent drug leakage. Polymer nanoparticles (PNPs) are an important component of drug delivery. These nanoparticles can effectively direct drug delivery to specific targets and improve drug stability and controlled drug release. Lipid–polymer nanoparticles (PLNs), a new type of carrier that combines liposomes and polymers, have been employed in recent years. These nanoparticles possess the complementary advantages of PNPs and liposomes. A PLN is composed of a core–shell structure; the polymer core provides a stable structure, and the phospholipid shell offers good biocompatibility. As such, the two components increase the drug encapsulation efficiency rate, facilitate surface modification, and prevent leakage of water-soluble drugs. Hence, we have reviewed the current state of development for the NLCs’, PNPs’, and PLNs’ structures, preparation, and applications over the past five years, to provide the basis for further study on a controlled release drug delivery system. PMID:28554993

Antisite occupation induced single anionic redox chemistry and structural stabilization of layered sodium chromium sulfide

DOE PAGES

Shadike, Zulipiya; Zhou, Yong -Ning; Chen, Lan -Li; ...

2017-08-30

The intercalation compounds with various electrochemically active or inactive elements in the layered structure have been the subject of increasing interest due to their high capacities, good reversibility, simple structures and ease of synthesis. However, their reversible intercalation/deintercalation redox chemistries in all previous compounds involve a single cationic redox reaction or a cumulative cationic and anionic redox reaction. Here we report an anionic redox only chemistry and structural stabilization of layered sodium chromium sulfide. It is discovered that sulfur in sodium chromium sulfide is electrochemical active undergoing oxidation/reduction of sulfur rather than chromium. Significantly, sodium ions can successfully move outmore » and into without changing its lattice parameter c, which is explained in terms of the occurrence of chromium/sodium vacancy antisite during desodiation and sodiation processes. Here, our present work not only enriches the electrochemistry of layered intercalation compounds, but also extends the scope of investigation on high-capacity electrodes.« less

Antisite occupation induced single anionic redox chemistry and structural stabilization of layered sodium chromium sulfide

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

Shadike, Zulipiya; Zhou, Yong -Ning; Chen, Lan -Li

The intercalation compounds with various electrochemically active or inactive elements in the layered structure have been the subject of increasing interest due to their high capacities, good reversibility, simple structures and ease of synthesis. However, their reversible intercalation/deintercalation redox chemistries in all previous compounds involve a single cationic redox reaction or a cumulative cationic and anionic redox reaction. Here we report an anionic redox only chemistry and structural stabilization of layered sodium chromium sulfide. It is discovered that sulfur in sodium chromium sulfide is electrochemical active undergoing oxidation/reduction of sulfur rather than chromium. Significantly, sodium ions can successfully move outmore » and into without changing its lattice parameter c, which is explained in terms of the occurrence of chromium/sodium vacancy antisite during desodiation and sodiation processes. Here, our present work not only enriches the electrochemistry of layered intercalation compounds, but also extends the scope of investigation on high-capacity electrodes.« less

Activity, Stability, and Structure of Native and Modified by Woodward Reagent K Mushroom Tyrosinase

NASA Astrophysics Data System (ADS)

Emami, S.; Piri, H.; Gheibi, N.

2018-01-01

Mushroom tyrosinase (MT) was considered a good model for studying the inhibition, activation, and mutation of tyrosinase as the key enzyme of melanogenesis. In the present study, the activity, structure, reduction, and stability of native and modified enzymes were investigated after the modification of MT carboxylic residues by the Woodward reagent K (WRK). The relative activity of the sole enzyme was reduced from 100 to 77.9, 53.8, 39.4, and 26.4% after its modification by 2.5, 5, 25, and 50 ratios of [WRK]/[MT], respectively. The Tm values were calculated from thermal denaturation curves at 61.2, 60.1, 58.3, 53.9, and 45.5oC for the sole and modified enzymes. The reduction of the Δ {G}_{{H}_2O} values for the modified enzyme in chemical denaturation indicated instability. A structural study by CD and intrinsic fluorescence technique revealed the fluctuation of the secondary and tertiary structures of MT.

Effect of structural phase transformation in FeGaO{sub 3} on its magnetic and ferroelectric properties

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

Lone, A. G., E-mail: agl221986@gmail.com; Bhowmik, R. N.

2015-06-24

We investigate the structural phase transformation from orthorhombic to rhombohedral structure in FeGaO{sub 3} by adopting a combined effect of mechanical alloying/milling and solid state sintering techniques. The structural phase formation of the FeGaO{sub 3} compound has been characterized by X-ray diffraction pattern. Mechanical milling played a significant role on the stabilization of rhombohedral phase in FeGaO{sub 3}, where as high temperature sintering stabilized the system in orthorhombic phase. A considerable difference has been observed in magnetic and ferroelectric properties of the system in two phases. The system in rhombohedral (R-3c) phase exhibited better ferromagnetic and of ferroelectric properties atmore » room temperature in comparison to orthorhombic (Pc2{sub 1}n) phase. The rhombohedral phase appears to be good for developing metal doped hematite system for spintronics applications and in that process mechanical milling played an important role.« less

Use of CdS quantum dot-functionalized cellulose nanocrystal films for anti-counterfeiting applications.

PubMed

Chen, L; Lai, C; Marchewka, R; Berry, R M; Tam, K C

2016-07-21

Structural colors and photoluminescence have been widely used for anti-counterfeiting and security applications. We report for the first time the use of CdS quantum dot (QD)-functionalized cellulose nanocrystals (CNCs) as building blocks to fabricate nanothin films via layer-by-layer (LBL) self-assembly for anti-counterfeiting applications. Both negatively- and positively-charged CNC/QD nanohybrids with a high colloidal stability and a narrow particle size distribution were prepared. The controllable LBL coating process was characterized by scanning electron microscopy and ellipsometry. The rigid structure of CNCs leads to nanoporous structured films on poly(ethylene terephthalate) (PET) substrates with high transmittance (above 70%) over the entire range of visible light and also resulted in increased hydrophilicity (contact angles of ∼40 degrees). Nanothin films on PET substrates showed good flexibility and enhanced stability in both water and ethanol. The modified PET films with structural colors from thin-film interference and photoluminescence from QDs can be used in anti-counterfeiting applications.

High-stability 48-core bendable and movable optical cable for FAST telescope optical transmission system

NASA Astrophysics Data System (ADS)

Liu, Hongfei; Pan, Gaofeng; Lin, Zhong; Liu, Cheng; Zhu, Wenbai; Nan, Rendong; Li, Chunsheng; Gao, Guanjun; Luo, Wenyong; Jin, Chengjin; Song, Jinyou

2017-11-01

The construction of FAST telescope was completed in Guizhou province of China in September 2016, and a kind of novel high-stability 48-core bendable and movable optical cable was developed and applied in analog data optical transmission system of FAST. Novel structure and selective material of this optical cable ensure high stability of optical power in the process of cables round-trip motion when telescope is tracking a radio source. The 105 times bend and stretch accelerated experiment for this optical cable was implemented, and real-time optical and RF signal power fluctuation were measured. The physical structure of optical cables after 105 times round-trip motion is in good condition; the real-time optical power attenuation fluctuation is smaller than 0.044 dB; the real-time RF power fluctuation is smaller than 0.12 dB. The optical cable developed in this letter meets the requirement of FAST and has been applied in FAST telescope.

Thermal stability and electrochemical properties of PVP-protected Ru nanoparticles synthesized at room temperature

NASA Astrophysics Data System (ADS)

Kumar, Manish; Devi, Pooja; Shivling, V. D.

2017-08-01

Stable ruthenium nanoparticles (RuNPs) have been synthesized by the chemical reduction of ruthenium trichloride trihydrate (RuCl3 · 3H2O) using sodium borohydride (NaBH4) as a reductant and polyvinylpyrrolidone (PVP) as a protecting agent in the aqueous medium at room temperature. The nanoparticles thus prepared were characterized by their morphology and structural analysis from transmission electron microscopy (TEM), X-ray powder diffraction (XRD), UV-vis spectroscopy, Fourier transformation infrared and thermogravimetric analysis (TGA) techniques. The TEM image suggested a homogeneous distribution of PVP-protected RuNPs having a small average diameter of 2-4 nm with a chain-like network structure. The XRD pattern also confirmed that a crystallite size is around 2 nm of PVP-protected RuNPs having a single broad peak. The thermal stability studied using TGA, indicated good stability and the electrochemical properties of these nanoparticles revealed that saturation current increases for PVP-protected RuNPs/GC.

Iodine bonding stabilizes iodomethane in MIDAS pesticide. Theoretical study of intermolecular interactions between iodomethane and chloropicrin.

PubMed

Glaser, Rainer; Prugger, Kaitlan

2012-02-22

The results are reported of a theoretical study of iodomethane (H(3)C-I, 1) and chloropicrin (Cl(3)C-NO(2), 2), of the heterodimers 3-6 formed by aggregation of 1 and 2, and of their addition products 7 and 8 and their possible fragmentation reactions to 9-18. Mixtures of iodomethane and chloropicrin are not expected to show chemistry resulting from their reactions with each other. The structures and stabilities are discussed of the iodine-bonded molecular aggregates (IBMA) 3 and 4 and of the hydrogen- and iodine-bonded molecular aggregates (IHBMA) 5 and 6. The mixed aggregates 3-5 are bound on the free enthalpy surface relative to the homodimers of 1 and 2, and the IBMA structures 3 and 4 are most stable. This result suggests that the mixture of chloropicrin and iodomethane in the pesticide Midas is a good choice to reduce the volatility of iodomethane because of thermodynamically stabilizing iodine bonding.

Chemically durable polymer electrolytes for solid-state alkaline water electrolysis

NASA Astrophysics Data System (ADS)

Park, Eun Joo; Capuano, Christopher B.; Ayers, Katherine E.; Bae, Chulsung

2018-01-01

Generation of high purity hydrogen using electrochemical splitting of water is one of the most promising methods for sustainable fuel production. The materials to be used as solid-state electrolytes for alkaline water electrolyzer require high thermochemical stability against hydroxide ion attack in alkaline environment during the operation of electrolysis. In this study, two quaternary ammonium-tethered aromatic polymers were synthesized and investigated for anion exchange membrane (AEM)-based alkaline water electrolyzer. The membranes properties including ion exchange capacity (IEC), water uptake, swelling degree, and anion conductivity were studied. The membranes composed of all C-C bond polymer backbones and flexible side chain terminated by cation head groups exhibited remarkably good chemical stability by maintaining structural integrity in 1 M NaOH solution at 95 °C for 60 days. Initial electrochemical performance and steady-state operation performance were evaluated, and both membranes showed a good stabilization of the cell voltage during the steady-state operation at the constant current density at 200 mA/cm2. Although both membranes in current form require improvement in mechanical stability to afford better durability in electrolysis operation, the next generation AEMs based on this report could lead to potentially viable AEM candidates which can provide high electrolysis performance under alkaline operating condition.

Thermal preparation of lysozyme-imprinted microspheres by using ionic liquid as a stabilizer.

PubMed

Qian, Li-Wei; Hu, Xiao-Ling; Guan, Ping; Gao, Bo; Wang, Dan; Wang, Chao-Li; Li, Ji; Du, Chun-Bao; Song, Wen-Qi

2014-11-01

Thermal preparation of lysozyme-imprinted microspheres was firstly investigated by using biocompatible ionic liquid (IL) as a thermal stabilizer. The imprinted microspheres made with IL could obtain the good recognition ability to template protein, whereas the imprinted polymer synthesized in the absence of it had a similar adsorption capacity to the non-imprinted one. Furthermore, the preparation conditions of imprinted polymers (MIPs) including the content of IL, temperature of polymerization, and types of functional monomers and crosslinkers were systematically analyzed via circular dichroism spectrum and activity assay. The results illustrated that using hydroxyethyl acrylate as the functional monomer, ethylene glycol dimethacrylate as the crosslinker, 5 % IL as the stabilizer, and 75 °C as the reaction temperature could retain the structure of template protein as much as possible. The obtained MIPs showed excellent recognition ability to the template protein with the separation factor and selectivity factor value of 4.30 and 2.21, respectively. Consequently, it is an effective way to accurately imprint and separate template protein by cooperatively using circular dichroism spectroscopy and activity assay during the preparation of protein MIPs. The method of utilizing IL to stabilizing protein at high temperature would offer a good opportunity for various technologies to improve the development of macromolecules imprinting.

Nanowire-Assembled Hierarchical ZnCo2O4 Microstructure Integrated with a Low-Power Microheater for Highly Sensitive Formaldehyde Detection.

PubMed

Long, Hu; Harley-Trochimczyk, Anna; Cheng, Siyi; Hu, Hao; Chi, Won Seok; Rao, Ameya; Carraro, Carlo; Shi, Tielin; Tang, Zirong; Maboudian, Roya

2016-11-23

Nanowire-assembled 3D hierarchical ZnCo 2 O 4 microstructure is synthesized by a facile hydrothermal route and a subsequent annealing process. In comparison to simple nanowires, the resulting dandelion-like structure yields more open spaces between nanowires, which allow for better gas diffusion and provide more active sites for gas adsorption while maintaining good electrical conductivity. The hierarchical ZnCo 2 O 4 microstructure is integrated on a low-power microheater platform without using binders or conductive additives. The hierarchical structure of the ZnCo 2 O 4 sensing material provides reliable electrical connection across the sensing electrodes. The resulting sensor exhibits an ultralow detection limit of 3 ppb toward formaldehyde with fast response and recovery as well as good selectivity to CO, H 2 , and hydrocarbons such as n-pentane, propane, and CH 4 . The sensor only consumes ∼5.7 mW for continuous operation at 300 °C with good long-term stability. The excellent sensing performance of this hierarchical structure based sensor suggests the advantages of combining such structures with microfabricated heaters for practical low-power sensing applications.

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

Xu, Yun; Zhao, Mingyang; Khalid, Syed

The high voltage cathode material, LiMn 1.6Ni 0.4O 4, was prepared by a polymer-assisted method. The novelty of this paper is the substitution of Ni with Mn, which already exists in the crystal structure instead of other isovalent metal ion dopants which would result in capacity loss. The electrochemical performance testing including stability and rate capability was evaluated. The temperature was found to impose a change on the valence and structure of the cathode materials. Specifically, manganese tends to be reduced at a high temperature of 800 °C and leads to structural changes. The manganese substituted LiMn 1.5Ni 0.5O 4more » (LMN) has proved to be a good candidate material for Li-ion battery cathodes displaying good rate capability and capacity retention. Finally, the cathode materials processed at 550 °C showed a stable performance with negligible capacity loss for 400 cycles.« less

Design, synthesis and structure-activity relationship study of wollamide B; a new potential anti TB agent

PubMed Central

Laqua, Katja; Walkowska, Anna Maria; Cunningham, Fraser; Martinez-Martinez, Maria Santos; Cuevas-Zurita, Juan Carlos; Ballell-Pages, Lluís; Imming, Peter

2017-01-01

Wollamide B is a cationic antimycobacterial cyclohexapeptide that exhibits activity against Mycobacterium bovis (M. bovis) (IC50 of 3.1 μM). Aiming to define its structural activity relationship (SAR), optimizing potency and pharmacokinetic properties, libraries of analogues were synthesized following a standard Fmoc-based solid phase peptide synthesis approach. The antimycobacterial activities of wollamide B and all the synthesized analogues were tested against Mycobacterium tuberculosis (Mtb) H37Rv. Parallely, in vitro drug metabolism and pharmacokinetic (ADME) profiling was done for the synthesized compounds to evaluate their drug likeness. Among the 25 synthesized wollamides five of them showed potent activities with MICs ≤ 3.1 μM and found to be nontoxic against human HepG2 cells up to 100 μM. The results of the in vitro ADME profiling revealed the remarkable plasma stability and very good aqueous solubility of the class in general while the metabolic stability was found to be moderate to low. Of particular note, compounds 7c (MIC = 1.1 μM) and 13c (0.6 μM) that exhibited good balance of antimycobacterial activity vs. optimal pharmacokinetic properties could be used as a new lead for further development. PMID:28423019

Evaluation of Graphene/WO3 and Graphene/CeO x Structures as Electrodes for Supercapacitor Applications

NASA Astrophysics Data System (ADS)

Chaitoglou, Stefanos; Amade, Roger; Bertran, Enric

2017-12-01

The combination of graphene with transition metal oxides can result in very promising hybrid materials for use in energy storage applications thanks to its intriguing properties, i.e., highly tunable surface area, outstanding electrical conductivity, good chemical stability, and excellent mechanical behavior. In the present work, we evaluate the performance of graphene/metal oxide (WO3 and CeO x ) layered structures as potential electrodes in supercapacitor applications. Graphene layers were grown by chemical vapor deposition (CVD) on copper substrates. Single and layer-by-layer graphene stacks were fabricated combining graphene transfer techniques and metal oxides grown by magnetron sputtering. The electrochemical properties of the samples were analyzed and the results suggest an improvement in the performance of the device with the increase in the number of graphene layers. Furthermore, deposition of transition metal oxides within the stack of graphene layers further improves the areal capacitance of the device up to 4.55 mF/cm2, for the case of a three-layer stack. Such high values are interpreted as a result of the copper oxide grown between the copper substrate and the graphene layer. The electrodes present good stability for the first 850 cycles before degradation.

Optical and structural properties of Al-doped ZnO thin films by sol gel process.

PubMed

Jun, Min-Chul; Koh, Jung-Hyuk

2013-05-01

Transparent conducting oxide (TCO) materials with high transmittance and good electrical conductivity have been attracted much attention due to the development of electronic display and devices such as organic light emitting diodes (OLEDs), and dye-sensitized solar cells (DSSCs). Aluminum doped zinc oxide thin films (AZO) have been well known for their use as TCO materials due to its stability, cost-effectiveness, good optical transmittance and electrical properties. Especially, AZO thin film, which have low resistivity of 2-4 x 10(-4) omega x cm which is similar to that of ITO films with wide band gap semiconductors. The AZO thin films were deposited on glass substrates by sol-gel spin-coating process. As a starting material, zinc acetate dihydrate (Zn(CH3COO)2 x 2H2O) and aluminum chloride hexahydrate (AlCl3 6H2O) were used. 2-methoxyethanol and monoethanolamine (MEA) were used as solvent and stabilizer, respectively. After deposited, the films were preheated at 300 degrees C on a hotplate and post-heated at 650 degrees C for 1.5 hrs in the furnace. We have studied the structural and optical properties as a function of Al concentration (0-2.5 mol.%).

1-Dimensional AgVO3 nanowires hybrid with 2-dimensional graphene nanosheets to create 3-dimensional composite aerogels and their improved electrochemical properties

NASA Astrophysics Data System (ADS)

Liang, Liying; Xu, Yimeng; Lei, Yong; Liu, Haimei

2014-03-01

Three-dimensional (3D) porous composite aerogels have been synthesized via an innovative in situ hydrothermal method assisted by a freeze-drying process. In this hybrid structure, one-dimensional (1D) AgVO3 nanowires are uniformly dispersed on two-dimensional (2D) graphene nanosheet surfaces and/or are penetrated through the graphene sheets, forming 3D porous composite aerogels. As cathode materials for lithium-ion batteries, the composite aerogels exhibit high discharge capacity, excellent rate capability, and good cycling stability.Three-dimensional (3D) porous composite aerogels have been synthesized via an innovative in situ hydrothermal method assisted by a freeze-drying process. In this hybrid structure, one-dimensional (1D) AgVO3 nanowires are uniformly dispersed on two-dimensional (2D) graphene nanosheet surfaces and/or are penetrated through the graphene sheets, forming 3D porous composite aerogels. As cathode materials for lithium-ion batteries, the composite aerogels exhibit high discharge capacity, excellent rate capability, and good cycling stability. Electronic supplementary information (ESI) available: Preparation, characterization, SEM images, XRD patterns, and XPS of AgVO3/GAs. See DOI: 10.1039/c3nr06899d

Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound

NASA Astrophysics Data System (ADS)

Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.

2018-05-01

The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.

Fabrication of composite membranes using copper metal organic framework for energy application

NASA Astrophysics Data System (ADS)

Gahlot, Swati; Rajput, Abhishek; Kulshrestha, Vaibhav

2018-04-01

Present manuscript deals with the synthesis of nanocomposite polymer electrolyte membrane (PEM) based on copper based metal organic framework (Cu-MOF) and sulfonated poly ether sulfone (SPES) for fuel cell application. Prepared material and composite membrane has been analyzed through various techniques. Structural and thermal characterization of prepared material has been carried out through XRD, FTIR and TGA technique. Measurement shows the successful synthesis of MOF and also confirms the thermal stability. Prepared membranes shows good physicochemical properties and good ionic conductivity which can be utilized as PEM for fuel cell application.

Acetylene terminated matrix resins

NASA Technical Reports Server (NTRS)

Goldfarb, I. J.; Lee, Y. C.; Arnold, F. E.; Helminiak, T. E.

1985-01-01

The synthesis of resins with terminal acetylene groups has provided a promising technology to yield high performance structural materials. Because these resins cure through an addition reaction, no volatile by-products are produced during the processing. The cured products have high thermal stability and good properties retention after exposure to humidity. Resins with a wide variety of different chemical structures between the terminal acetylene groups are synthesized and their mechanical properties studied. The ability of the acetylene cured polymers to give good mechanical properties is demonstrated by the resins with quinoxaline structures. Processibility of these resins can be manipulated by varying the chain length between the acetylene groups or by blending in different amounts of reactive deluents. Processing conditions similar to the state-of-the-art epoxy can be attained by using backbone structures like ether-sulfone or bis-phenol-A. The wide range of mechanical properties and processing conditions attainable by this class of resins should allow them to be used in a wide variety of applications.

Synthesis, NMR, FT-IR, X-ray structural characterization, DFT analysis and isomerism aspects of 5-(2,6-dichlorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione.

PubMed

Barakat, Assem; Al-Najjar, Hany J; Al-Majid, Abdullah Mohammed; Soliman, Saied M; Mabkhot, Yahia Nasser; Shaik, Mohammed Rafi; Ghabbour, Hazem A; Fun, Hoong-Kun

2015-08-05

The synthesis and spectral characterization of the 5-(2,6-dichlorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione;3 was reported. The solid state molecular structure of 3 was studied using X-ray crystallography. The relative stabilities of the seven possible isomers of 3 were calculated by DFT/B3LYP method using 6-311 G(d,p) basis set. The calculated total energies and thermodynamic parameters were used to predict the relative stabilities of these isomers. The effect of solvent polarity on the relative stability of these isomers was studied at the same level of theory using PCM. It was found that the keto form, (T0), is the most stable isomer both in the gaseous state and solution. In solution, the calculated total energies of all isomers are decreased indicating that all isomers are stabilized by the solvent effect. The vibrational spectra of the most stable isomer, 3(T0) are calculated using the same level of theory and the results are compared with the experimentally measured FTIR spectra. Good correlation was obtained between the experimental and calculated vibrational frequencies (R(2)=0.9992). The electronic spectra of 3(T0) in gas phase as well as in solutions were calculated using the TD-DFT method. All the predicted electronic transitions showed very little spectral shifts and increase in the intensity of absorption due to solvent effect. Also the (1)H- and (13)C-NMR chemical shifts of the stable isomer were calculated and the results were correlated with the experimental data. Good correlations between the experimental and calculated chemical shifts were obtained. Copyright © 2015 Elsevier B.V. All rights reserved.

Surface plasmon resonance sensor for antibiotics detection based on photo-initiated polymerization molecularly imprinted array.

PubMed

Luo, Qiaohui; Yu, Neng; Shi, Chunfei; Wang, Xiaoping; Wu, Jianmin

2016-12-01

A surface plasmon resonance (SPR) sensor combined with nanoscale molecularly imprinted polymer (MIP) film as recognition element was developed for selective detection of the antibiotic ciprofloxacin (CIP). The MIP film on SPR sensor chip was prepared by in situ photo-initiated polymerization method which has the advantages of short polymerization time, controllable thickness and good uniformity. The surface wettability and thickness of MIP film on SPR sensor chip were characterized by static contact angle measurement and stylus profiler. The MIP-SPR sensor exhibited high selectivity, sensitivity and good stability for ciprofloxacin. The imprinting factors of the MIP-SPR sensor to ciprofloxacin and its structural analogue ofloxacin were 2.63 and 3.80, which is much higher than those to azithromycin, dopamine and penicillin. The SPR response had good linear relation with CIP concentration over the range 10 -11 -10 -7 molL -1 . The MIP-SPR sensor also showed good repeatability and stability during cyclic detections. On the basis of the photo-initiated polymerization method, a surface plasmon resonance imaging (SPRi) chip modified with three types of MIP sensing spots was fabricated. The MIPs-SPRi sensor shows different response patterns to ciprofloxacin and azithromycin, revealing the ability to recognize different antibiotic molecules. Copyright © 2016 Elsevier B.V. All rights reserved.

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

Du, Mao -Hua; Singh, David J.; Zhang, Lijun

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(II) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(II)-based system, ternary alkaline-earth metal Sn(II) oxides in the stoichiometry of MSn 2O 3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn 2O 3 andmore » BaSn 2O 3, which can be stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO 3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn 2O 3) to 3.15 (SrSn 2O 3) eV, and hole effective masses ranging from 0.87 (BaSn 2O 3) to above 6.0 (SrSn 2O 3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. Lastly, this suggests further exploration of alkaline-earth metal Sn(II) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers.« less

Kinetic analysis of the effects of target structure on siRNA efficiency

NASA Astrophysics Data System (ADS)

Chen, Jiawen; Zhang, Wenbing

2012-12-01

RNAi efficiency for target cleavage and protein expression is related to the target structure. Considering the RNA-induced silencing complex (RISC) as a multiple turnover enzyme, we investigated the effect of target mRNA structure on siRNA efficiency with kinetic analysis. The 4-step model was used to study the target cleavage kinetic process: hybridization nucleation at an accessible target site, RISC-mRNA hybrid elongation along with mRNA target structure melting, target cleavage, and enzyme reactivation. At this model, the terms accounting for the target accessibility, stability, and the seed and the nucleation site effects are all included. The results are in good agreement with that of experiments which show different arguments about the structure effects on siRNA efficiency. It shows that the siRNA efficiency is influenced by the integrated factors of target's accessibility, stability, and the seed effects. To study the off-target effects, a simple model of one siRNA binding to two mRNA targets was designed. By using this model, the possibility for diminishing the off-target effects by the concentration of siRNA was discussed.

Stability of Magnetically-Suppressed Solutal Convection In Protein Crystal Growth

NASA Technical Reports Server (NTRS)

Leslie, F. W.; Ramachandran, N.

2005-01-01

The effect of convection during the crystallization of proteins is not very well understood. In a gravitational field, convection is caused by crystal sedimentation and by solutal buoyancy induced flow and these can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, a theory is presented on the stability of solutal convection of a magnetized fluid in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments and show solutal convection can be stabilized if the surrounding fluid has larger magnetic susceptibility and the magnetic field has a specific structure. Discussion on the application of the technique to protein crystallization is also provided.

Dimensional stability performance of a CFRP sandwich optical bench for microsatellite payload

NASA Astrophysics Data System (ADS)

Desnoyers, N.; Goyette, P.; Leduc, B.; Boucher, M.-A.

2017-09-01

Microsatellite market requires high performance while minimizing mass, volume and cost. Telescopes are specifically targeted by these trade-offs. One of these is to use the optomechanical structure of the telescope to mount electronic devices that may dissipate heat. However, such approach may be problematic in terms of distortions due to the presence of high thermal gradients throughout the telescope structure. To prevent thermal distortions, Carbon Fiber Reinforced Polymer (CFRP) technology can be used for the optomechanical telescope material structure. CFRP is typically about 100 times less sensitive to thermal gradients and its coefficient of thermal expansion (CTE) is about 200 to 600 times lower than standard aluminum alloys according to inhouse measurements. Unfortunately, designing with CFRP material is not as straightforward as with metallic materials. There are many parameters to consider in order to reach the desired dimensional stability under thermal, moisture and vibration exposures. Designing optomechanical structures using CFRP involves many challenges such as interfacing with optics and sometimes dealing with high CTE mounting interface structures like aluminum spacecraft buses. INO has designed a CFRP sandwich telescope structure to demonstrate the achievable performances of such technology. Critical parameters have been optimized to maximize the dimensional stability while meeting the stringent environmental requirements that microsatellite payloads have to comply with. The telescope structure has been tested in vacuum from -40°C to +50°C and has shown a good fit with finite element analysis predictions.

Nitrogen-doped 3D flower-like carbon materials derived from polyimide as high-performance anode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Wu, Qiong; Liu, Jiaqi; Yuan, Chenpei; Li, Qiang; Wang, Heng-guo

2017-12-01

Nitrogen-doped 3D flower-like carbon materials (NFCs) have been fabricated using a simple and effective strategy, namely, the hierarchical assembly of polyimide (PI) and subsequent thermal treatment. The effect of pyrolysis temperature on the structural evolution process of PI is also investigated systematically. When evaluated as anode materials for lithium ion batteries (LIBs), the as-obtained NFCs, especially NFCs-550, exhibit good electrochemical performance, including a high reversible capacity (1488.1 mAh g-1 at 0.05 A g-1), excellent rate performance (287.6 mAh g-1 at 2 A g-1), and good cycling stability (645 mAh g-1 with 96% retention after 300 cycles at 0.1 A g-1). The good electrochemical performance is attributed to the synergistic effect between 3D flower-like nanostructure and high nitrogen content. This approach may provide some inspiration to construct a series of heteroatom doped and hierarchical structured carbon materials using polymers for LIBs.

Rational design of binder-free noble metal/metal oxide arrays with nanocauliflower structure for wide linear range nonenzymatic glucose detection

PubMed Central

Li, Zhenzhen; Xin, Yanmei; Zhang, Zhonghai; Wu, Hongjun; Wang, Peng

2015-01-01

One-dimensional nanocomposites of metal-oxide and noble metal were expected to present superior performance for nonenzymatic glucose detection due to its good conductivity and high catalytic activity inherited from noble metal and metal oxide respectively. As a proof of concept, we synthesized gold and copper oxide (Au/CuO) composite with unique one-dimensional nanocauliflowers structure. Due to the nature of the synthesis method, no any foreign binder was needed in keeping either Au or CuO in place. To the best of our knowledge, this is the first attempt in combining metal oxide and noble metal in a binder-free style for fabricating nonenzymatic glucose sensor. The Au/CuO nanocauliflowers with large electrochemical active surface and high electrolyte contact area would promise a wide linear range and high sensitive detection of glucose with good stability and reproducibility due to its good electrical conductivity of Au and high electrocatalytic activity of CuO. PMID:26068705

PoPMuSiC 2.1: a web server for the estimation of protein stability changes upon mutation and sequence optimality.

PubMed

Dehouck, Yves; Kwasigroch, Jean Marc; Gilis, Dimitri; Rooman, Marianne

2011-05-13

The rational design of modified proteins with controlled stability is of extreme importance in a whole range of applications, notably in the biotechnological and environmental areas, where proteins are used for their catalytic or other functional activities. Future breakthroughs in medical research may also be expected from an improved understanding of the effect of naturally occurring disease-causing mutations on the molecular level. PoPMuSiC-2.1 is a web server that predicts the thermodynamic stability changes caused by single site mutations in proteins, using a linear combination of statistical potentials whose coefficients depend on the solvent accessibility of the mutated residue. PoPMuSiC presents good prediction performances (correlation coefficient of 0.8 between predicted and measured stability changes, in cross validation, after exclusion of 10% outliers). It is moreover very fast, allowing the prediction of the stability changes resulting from all possible mutations in a medium size protein in less than a minute. This unique functionality is user-friendly implemented in PoPMuSiC and is particularly easy to exploit. Another new functionality of our server concerns the estimation of the optimality of each amino acid in the sequence, with respect to the stability of the structure. It may be used to detect structural weaknesses, i.e. clusters of non-optimal residues, which represent particularly interesting sites for introducing targeted mutations. This sequence optimality data is also expected to have significant implications in the prediction and the analysis of particular structural or functional protein regions. To illustrate the interest of this new functionality, we apply it to a dataset of known catalytic sites, and show that a much larger than average concentration of structural weaknesses is detected, quantifying how these sites have been optimized for function rather than stability. The freely available PoPMuSiC-2.1 web server is highly useful for identifying very rapidly a list of possibly relevant mutations with the desired stability properties, on which subsequent experimental studies can be focused. It can also be used to detect sequence regions corresponding to structural weaknesses, which could be functionally important or structurally delicate regions, with obvious applications in rational protein design.

Thermal stability and adhesion of low-emissivity electroplated Au coatings.

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

Jorenby, Jeff W.; Hachman, John T., Jr.; Yang, Nancy Y. C.

We are developing a low-emissivity thermal management coating system to minimize radiative heat losses under a high-vacuum environment. Good adhesion, low outgassing, and good thermal stability of the coating material are essential elements for a long-life, reliable thermal management device. The system of electroplated Au coating on the adhesion-enhancing Wood's Ni strike and 304L substrate was selected due to its low emissivity and low surface chemical reactivity. The physical and chemical properties, interface bonding, thermal aging, and compatibility of the above Au/Ni/304L system were examined extensively. The study shows that the as-plated electroplated Au and Ni samples contain submicron columnarmore » grains, stringers of nanopores, and/or H{sub 2} gas bubbles, as expected. The grain structure of Au and Ni are thermally stable up to 250 C for 63 days. The interface bonding is strong, which can be attributed to good mechanical locking among the Au, the 304L, and the porous Ni strike. However, thermal instability of the nanopore structure (i.e., pore coalescence and coarsening due to vacancy and/or entrapped gaseous phase diffusion) and Ni diffusion were observed. In addition, the study also found that prebaking 304L in the furnace at {ge} 1 x 10{sup -4} Torr promotes surface Cr-oxides on the 304L surface, which reduces the effectiveness of the intended H-removal. The extent of the pore coalescence and coarsening and their effect on the long-term system integrity and outgassing are yet to be understood. Mitigating system outgassing and improving Au adhesion require a further understanding of the process-structure-system performance relationships within the electroplated Au/Ni/304L system.« less

A superhydrophobic EP/PDMS nanocomposite coating with high gamma radiation stability

NASA Astrophysics Data System (ADS)

Zhang, Yan; Ren, Fule; Liu, Yujian

2018-04-01

The superhydrophobic coatings with high gamma radiation stability were prepared by using epoxy/polydimethylsiloxane (EP/PDMS) resins as the matrix and silica nanoparticles as the fillers. The nanocomposite coatings exhibit superhydrophobicity with a high water contact angle (WCA) of 154° and a low sliding angle of 7°. With the amount of SiO2 increasing from 0 to 30%, the surface shows the hierarchically structure gradually and its roughness raised from 4 nm to 278 nm. And little change in the WCA of the coatings (from 155° to 149°) was observed when the pH of the droplets varied from 2 to 14. In addition, the coatings also show good adhesion grade (5B), high hardness (6H) and outstanding stability for high dose gamma radiation.

Ion-beam-induced magnetic and structural phase transformation of Ni-stabilized face-centered-cubic Fe films on Cu(100)

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

Gloss, Jonas; Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno; Shah Zaman, Sameena

2013-12-23

Metastable face-centered cubic (fcc) Fe/Cu(100) thin films are good candidates for ion-beam magnetic patterning due to their magnetic transformation upon ion-beam irradiation. However, pure fcc Fe films undergo spontaneous transformation when their thickness exceeds 10 ML. This limit can be extended to approximately 22 ML by deposition of Fe at increased CO background pressures. We show that much thicker films can be grown by alloying with Ni for stabilizing the fcc γ phase. The amount of Ni necessary to stabilize nonmagnetic, transformable fcc Fe films in dependence on the residual background pressure during the deposition is determined and a phasemore » diagram revealing the transformable region is presented.« less

Parallel kinematic mechanisms for distributed actuation of future structures

NASA Astrophysics Data System (ADS)

Lai, G.; Plummer, A. R.; Cleaver, D. J.; Zhou, H.

2016-09-01

Future machines will require distributed actuation integrated with load-bearing structures, so that they are lighter, move faster, use less energy, and are more adaptable. Good examples are shape-changing aircraft wings which can adapt precisely to the ideal aerodynamic form for current flying conditions, and light but powerful robotic manipulators which can interact safely with human co-workers. A 'tensegrity structure' is a good candidate for this application due to its potentially excellent stiffness and strength-to-weight ratio and a multi-element structure into which actuators could be embedded. This paper presents results of an analysis of an example practical actuated tensegrity structure consisting of 3 ‘unit cells’. A numerical method is used to determine the stability of the structure with varying actuator length, showing how four actuators can be used to control movement in three degrees of freedom as well as simultaneously maintaining the structural pre-load. An experimental prototype has been built, in which 4 pneumatic artificial muscles (PAMs) are embedded in one unit cell. The PAMs are controlled antagonistically, by high speed switching of on-off valves, to achieve control of position and structure pre-load. Experimental and simulation results are presented, and future prospects for the approach are discussed.

Analysis and test evaluation of the dynamic stability of three advanced turboprop models at zero forward speed

NASA Technical Reports Server (NTRS)

Smith, Arthur F.

1985-01-01

Results of static stability wind tunnel tests of three 62.2 cm (24.5 in) diameter models of the Prop-Fan are presented. Measurements of blade stresses were made with the Prop-Fans mounted on an isolated nacelle in an open 5.5 m (18 ft) wind tunnel test section with no tunnel flow. The tests were conducted in the United Technology Research Center Large Subsonic Wind Tunnel. Stall flutter was determined by regions of high stress, which were compared with predictions of boundaries of zero total viscous damping. The structural analysis used beam methods for the model with straight blades and finite element methods for the models with swept blades. Increasing blade sweep tends to suppress stall flutter. Comparisons with similar test data acquired at NASA/Lewis are good. Correlations between measured and predicted critical speeds for all the models are good. The trend of increased stability with increased blade sweep is well predicted. Calculated flutter boundaries generaly coincide with tested boundaries. Stall flutter is predicted to occur in the third (torsion) mode. The straight blade test shows third mode response, while the swept blades respond in other modes.

Influence of the silicon carbide deposit on the thermal resistance of fire protection

NASA Astrophysics Data System (ADS)

Kim, K. A.; Lemeshev, D. O.

2018-04-01

The ceramics samples with structure of SiC-Al2O3-Fireclay having good thermal resistance were received. As materials were used: black α-SiC F-120, corundum α-Al2O3 F-1000 and Kudinovsky fire-clay. As a temporary technological bundle used polyvinyl alcohol (PVA). Thermal stability was determined by method of heat changes.

Potential applications of MMC and aluminum-lithium alloys in cameras for CRAF spacecraft. [Comet Rendezvous Asteroid Flyby Mission

NASA Technical Reports Server (NTRS)

Lane, Marc; Hsieh, Cheng; Adams, Lloyd

1989-01-01

In undertaking the design of a 2000-mm focal length camera for the Mariner Mark II series of spacecraft, JPL sought novel materials with the requisite dimensional and thermal stability, outgassing and corrosion resistance, low mass, high stiffness, and moderate cost. Metal-matrix composites and Al-Li alloys have, in addition to excellent mechanical properties and low density, a suitably low coefficient of thermal expansion, high specific stiffness, and good electrical conductivity. The greatest single obstacle to application of these materials to camera structure design is noted to have been the lack of information regarding long-term dimensional stability.

Carbon materials-functionalized tin dioxide nanoparticles toward robust, high-performance nitrogen dioxide gas sensor.

PubMed

Zhang, Rui; Liu, Xiupeng; Zhou, Tingting; Wang, Lili; Zhang, Tong

2018-08-15

Carbon (C) materials, which process excellent electrical conductivity and high carrier mobility, are promising sensing materials as active units for gas sensors. However, structural agglomeration caused by chemical processes results in a small resistance change and low sensing response. To address the above issues, structure-derived carbon-coated tin dioxide (SnO 2 ) nanoparticles having distinct core-shell morphology with a 3D net-like structure and highly uniform size are prepared by careful synthesis and fine structural design. The optimum carbon-coated SnO 2 nanoparticles (SnO 2 /C)-based gas sensor exhibits a low working temperature, excellent selectivity and fast response-recovery properties. In addition, the SnO 2 /C-based gas sensor can maintain a sensitivity to nitrogen dioxide (NO 2 ) of 3 after being cycled 4 times at 140 °C for, suggesting its good long-term stability. The structural integrity, good synergistic properties, and high gas-sensing performance of SnO 2 /C render it a promising sensing material for advanced gas sensors. Copyright © 2018 Elsevier Inc. All rights reserved.

Structural and thermal properties of silk fibroin - Silver nanoparticles composite films

NASA Astrophysics Data System (ADS)

Shivananda, C. S.; Rao B, B. Lakshmeesha; Shetty, G. Rajesh; Sangappa, Y.

2018-05-01

In this work, silk fibroin-silver nanoparticles (SF-AgNPs) composite films have been prepared by simple solution casting method. The composite films were examined for structural and thermal properties using X-ray diffraction (XRD), thermogravimatric (TGA) and differential scanning calorimetry (DSC) analysis. The XRD results showed that with the introduction of AgNPs in the silk fibroin matrix the amorphous nature of the silk fibroin decreases with increasing nanoparticles concentration. The silk fibroin films possess good thermal stability with the presence of AgNPs.

Stabilization of highly polar BiFeO 3-like structure: a new interface design route for enhanced ferroelectricity in artificial perovskite superlattices

DOE PAGES

Wang, Hongwei; Wen, Jianguo; Miller, Dean; ...

2016-03-14

In ABO 3 perovskites, oxygen octahedron rotations are common structural distortions that can promote large ferroelectricity in BiFeO 3 with an R3c structure [1] but suppress ferroelectricity in CaTiO 3 with a Pbnm symmetry [2]. For many CaTiO3-like perovskites, the BiFeO 3 structure is a metastable phase. Here, we report the stabilization of the highly polar BiFeO 3-like phase of CaTiO 3 in a BaTiO 3/CaTiO 3 superlattice grown on a SrTiO 3 substrate. The stabilization is realized by a reconstruction of oxygen octahedron rotations at the interface from the pattern of nonpolar bulk CaTiO 3 to a different patternmore » that is characteristic of a BiFeO 3 phase. The reconstruction is interpreted through a combination of amplitude-contrast sub-0.1-nm high-resolution transmission electron microscopy and first-principles theories of the structure, energetics, and polarization of the superlattice and its constituents. We further predict a number of new artificial ferroelectric materials demonstrating that nonpolar perovskites can be turned into ferroelectrics via this interface mechanism. Therefore, a large number of perovskites with the CaTiO 3 structure type, which include many magnetic representatives, are now good candidates as novel highly polar multiferroic materials [3].« less

Metal coordination polymer derived mesoporous Co3O4 nanorods with uniform TiO2 coating as advanced anodes for lithium ion batteries

NASA Astrophysics Data System (ADS)

Geng, Hongbo; Ang, Huixiang; Ding, Xianguang; Tan, Huiteng; Guo, Guile; Qu, Genlong; Yang, Yonggang; Zheng, Junwei; Yan, Qingyu; Gu, Hongwei

2016-01-01

In this work, a one-dimensional Co3O4@TiO2 core-shell electrode material with superior electrochemical performance is fabricated by a convenient and controllable route. The approach involves two main steps: the homogeneous deposition of polydopamine and TiO2 layers in sequence on the cobalt coordination polymer and the thermal decomposition of the polymer matrix. The as-prepared electrode material can achieve excellent electrochemical properties and stability as an anode material for lithium ion batteries, such as a high specific capacity of 1279 mA h g-1, good cycling stability (around 803 mA h g-1 at a current density of 200 mA g-1 after 100 cycles), and stable rate performance (around 520 mA h g-1 at a current density of 1000 mA g-1). This dramatic electrochemical performance is mainly attributed to the excellent structural characteristics, which could improve the electrical conductivity and lithium ion mobility, as well as electrolyte permeability and architectural stability during cycling.In this work, a one-dimensional Co3O4@TiO2 core-shell electrode material with superior electrochemical performance is fabricated by a convenient and controllable route. The approach involves two main steps: the homogeneous deposition of polydopamine and TiO2 layers in sequence on the cobalt coordination polymer and the thermal decomposition of the polymer matrix. The as-prepared electrode material can achieve excellent electrochemical properties and stability as an anode material for lithium ion batteries, such as a high specific capacity of 1279 mA h g-1, good cycling stability (around 803 mA h g-1 at a current density of 200 mA g-1 after 100 cycles), and stable rate performance (around 520 mA h g-1 at a current density of 1000 mA g-1). This dramatic electrochemical performance is mainly attributed to the excellent structural characteristics, which could improve the electrical conductivity and lithium ion mobility, as well as electrolyte permeability and architectural stability during cycling. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr08570e

The Calculation Study of Electronic Properties of Doped RE (Eu, Er and Tm)-GaN using Density Functional Theory

NASA Astrophysics Data System (ADS)

Zaharo, Aflah; Purqon, Acep

2017-07-01

The calculation of the structure and electronic properties of Rare Earth (RE) at the wurtzite Gallium Nitride (GaN) based on DFT has completed. GGA approximation used for exchange correlation and Ultra soft pseudo potential too. The stability structure of GaN is seen that difference lattice parameter 11% lower than another calculation and experiment result. It is shown the stability structure GaN have direct band gap energy on Gamma point hexagonal lattice Brillouin zone. The width Eg is 2.6 eV. When one atom Ga is substituted with one atom RE, the bond length is change 12 % longest. An in good agreement with theoretical doping RE concentration increases, the edge of energy level shifted towards to make the band gap narrow which is allow the optical transitions and help to improve the optical performance of GaN. The RE doped GaN is potentially applicable for various color of LED with lower energy consumption and potentially energy saving application

Enhanced structural stability of nanoporous zirconia under irradiation of He

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

Yang, Tengfei; Huang, Xuejun; Wang, Chenxu

2012-01-01

This work reports a greatly enhanced tolerance for He irradiation-induced swelling in nanocrystalline zirconia film with interconnected nanoporous structure (hereinafter referred as to NC-C). Compared to bulk yttria-stabilized zirconia (YSZ) and another nanocrystalline zirconia film only with discrete nano voids (hereinafter referred as to NC-V), the NC-C film reveals good tolerance for irradiation of high-fluence He. No appreciable surface blistering can be found even at the highest fluence of 6 1017 cm2 in NCC film. From TEM analysis of as-irradiated samples, the enhanced tolerance for volume swelling in NCC film is attributed to the enhanced diffusion mechanism of deposited Hemore » via widely distributed nano channels. Furthermore, the growth of grain size is quite small for both nanocrystalline zirconia films after irradiation, which is ascribed to the decreasing of area of grain boundary due to loose structure and low energy of primary knock-on atoms for He ions.« less

Network structure and functional properties of transparent hydrogel sanxan produced by Sphingomonas sanxanigenens NX02.

PubMed

Wu, Mengmeng; Shi, Zhong; Huang, Haidong; Qu, Jianmei; Dai, Xiaohui; Tian, Xuefeng; Wei, Weiying; Li, Guoqiang; Ma, Ting

2017-11-15

The micro-network structure and functional properties of sanxan, a novel polysaccharide produced by Sphingomonas sanxanigenens NX02, were investigated. Transparent hydrogel sanxan was a high acyl polymer containing 8.96% acetyl and 4.75% glyceroyl. The micro-network structure of sanxan was mainly cyclic configurations composed of side-by-side intermolecular associations, with many rounded nodes found. Sanxan exhibited predominant gelation behavior at concentrations above 0.1%, which was enhanced by adding cations, especially Ca 2+ . The gel strength of sanxan was much higher than that of low acyl gellan, but slightly lower than that of high acyl gellan. Furthermore, the conformation transition temperature was increased in the presence of added cations. Moreover, sanxan showed excellent emulsifying and emulsion stabilizing properties. Consequently, such excellent functional properties make sanxan a good candidate as a gelling, stabilizing, emulsifying, or suspending agent in food and cosmetics industries, and in medical and pharmaceutical usage. Copyright © 2017 Elsevier Ltd. All rights reserved.

MnO2/multiwall carbon nanotube/Ni-foam hybrid electrode for electrochemical capacitor

NASA Astrophysics Data System (ADS)

Chen, L. H.; Li, L.; Qian, W. J.; Dong, C. K.

2018-01-01

The ternary composites of manganese dioxide/multiwall carbon nanotube/Ni-foam (MnO2/MWNT/Ni-foam) for supercapacitors were fabricated via a hydrothermal method after direct growth of MWNTs on the Ni-foam. The structural properties of the electrodes were characterized by SEM and TEM. The electrode exhibited excellent electrochemical properties from the investigation based on the three-electrode setup. Low contact resistance Rs of about 0.291 Ω between MnO2/MWNT and Ni-foam was reached benefited from the direct growth structure. High capacitance of 355.1 F/g at the current density of 2 A/g was achieved, with good capacitive response at high current density. The MnO2/MWNT/Ni-foam electrode exhibits good stability performance after 2000 cycles at a current of 40 mA.

Structural, Electronic and Elastic Properties of Heavy Fermion YbTM2 (TM= Ir and Pt) Laves Phase Compounds

NASA Astrophysics Data System (ADS)

Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.

2018-02-01

The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.

Niobium Doped Lanthanum Strontium Ferrite as A Redox-Stable and Sulfur-Tolerant Anode for Solid Oxide Fuel Cells.

PubMed

Li, Jingwei; Wei, Bo; Cao, Zhiqun; Yue, Xing; Zhang, Yaxin; Lü, Zhe

2018-01-10

The Nb-doped lanthanum strontium ferrite perovskite oxide La 0.8 Sr 0.2 Fe 0.9 Nb 0.1 O 3-δ (LSFNb) is evaluated as an anode material in a solid oxide fuel cell (SOFC). The effects of Nb partial substitution in the crystal structure, the electrical conductivity, and the valence of Fe ions are studied. LSFNb exhibits good structural stability in a severe reducing atmosphere at 800 °C, suggesting that high-valent Nb can effectively promote the stability of the lattice structure. The concentration of Fe 2+ increases after Nb doping, as confirmed by X-ray photoelectron spectroscopy. The maximum power density of a thick Sc-stabilized zirconia (ScSZ) electrolyte-supported single cell reached 241.6 mW cm -2 at 800 °C with H 2 as fuel. The cell exhibited excellent stability for 100 h continuous operation without detectable degeneration. Scanning electron microscopy clearly revealed exsolution on the LSFNb surface after operation. Meanwhile, LSFNb particles agglomerated significantly during long-term stability testing. Impedance spectra suggested that both the LSFNb anode and the (La 0.75 Sr 0.25 ) 0.95 MnO 3-δ /ScSZ cathode underwent an activation process during long-term testing, through which the charge transfer ability increased significantly. Meanwhile, low-frequency resistance (R L ) mainly attributed to the anode (80 %) significantly increased, probably due to the agglomeration of LSFNb particles. The LSFNb anode exhibits excellent anti-sulfuring poisoning ability and redox stability. These results demonstrate that LSFNb is a promising anode material for SOFCs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

First-principles density functional calculation of electrochemical stability of fast Li ion conducting garnet-type oxides.

PubMed

Nakayama, Masanobu; Kotobuki, Masashi; Munakata, Hirokazu; Nogami, Masayuki; Kanamura, Kiyoshi

2012-07-28

The research and development of rechargeable all-ceramic lithium batteries are vital to realize their considerable advantages over existing commercial lithium ion batteries in terms of size, energy density, and safety. A key part of such effort is the development of solid-state electrolyte materials with high Li(+) conductivity and good electrochemical stability; lithium-containing oxides with a garnet-type structure are known to satisfy the requirements to achieve both features. Using first-principles density functional theory (DFT), we investigated the electrochemical stability of garnet-type Li(x)La(3)M(2)O(12) (M = Ti, Zr, Nb, Ta, Sb, Bi; x = 5 or 7) materials against Li metal. We found that the electrochemical stability of such materials depends on their composition and structure. The electrochemical stability against Li metal was improved when a cation M was chosen with a low effective nuclear charge, that is, with a high screening constant for an unoccupied orbital. In fact, both our computational and experimental results show that Li(7)La(3)Zr(2)O(12) and Li(5)La(3)Ta(2)O(12) are inert to Li metal. In addition, the linkage of MO(6) octahedra in the crystal structure affects the electrochemical stability. For example, perovskite-type La(1/3)TaO(3) was found, both experimentally and computationally, to react with Li metal owing to the corner-sharing MO(6) octahedral network of La(1/3)TaO(3), even though it has the same constituent elements as garnet-type Li(5)La(3)Ta(2)O(12) (which is inert to Li metal and features isolated TaO(6) octahedra).

Low-energy Cathodoluminescence for (Oxy)Nitride Phosphors

PubMed Central

Cho, Yujin; Dierre, Benjamin; Sekiguchi, Takashi; Suehiro, Takayuki; Takahashi, Kohsei; Takeda, Takashi; Xie, Rong-Jun; Yamamoto, Yoshinobu; Hirosaki, Naoto

2016-01-01

Nitride and oxynitride (Sialon) phosphors are good candidates for the ultraviolet and visible emission applications. High performance, good stability and flexibility of their emission properties can be achieved by controlling their composition and dopants. However, a lot of work is still required to improve their properties and to reduce the production cost. A possible approach is to correlate the luminescence properties of the Sialon particles with their local structural and chemical environment in order to optimize their growth parameters and find novel phosphors. For such a purpose, the low-voltage cathodoluminescence (CL) microscopy is a powerful technique. The use of electron as an excitation source allows detecting most of the luminescence centers, revealing their luminescence distribution spatially and in depth, directly comparing CL results with the other electron-based techniques, and investigating the stability of their luminescence properties under stress. Such advantages for phosphors characterization will be highlighted through examples of investigation on several Sialon phosphors by low-energy CL. PMID:27911365

Structure and chemistry of epitaxial ceria thin films on yttria-stabilized zirconia substrates, studied by high resolution electron microscopy

DOE PAGES

Sinclair, Robert; Lee, Sang Chul; Shi, Yezhou; ...

2017-03-18

Here, we have applied aberration-corrected transmission electron microscopy (TEM) imaging and electron energy loss spectroscopy (EELS) to study the structure and chemistry of epitaxial ceria thin films, grown by pulsed laser deposition onto (001) yttria-stabilized zirconia (YSZ) substrates. There are few observable defects apart from the expected mismatch interfacial dislocations and so the films would be expected to have good potential for applications. Under high electron beam dose rate (above about 6000 e-/Å 2s) domains of an ordered structure appear and these are interpreted as being created by oxygen vacancy ordering. The ordered structure does not appear at lower losemore » rates (ca. 2600 e-/Å 2s) and can be removed by imaging under 1 mbar oxygen gas in an environmental TEM. EELS confirms that there is both oxygen deficiency and the associated increase in Ce 3+ versus Ce 4+ cations in the ordered domains. In situ high resolution TEM recordings show the formation of the ordered domains as well as atomic migration along the ceria thin film (001) surface.« less

Structure and chemistry of epitaxial ceria thin films on yttria-stabilized zirconia substrates, studied by high resolution electron microscopy

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

Sinclair, Robert; Lee, Sang Chul; Shi, Yezhou

Here, we have applied aberration-corrected transmission electron microscopy (TEM) imaging and electron energy loss spectroscopy (EELS) to study the structure and chemistry of epitaxial ceria thin films, grown by pulsed laser deposition onto (001) yttria-stabilized zirconia (YSZ) substrates. There are few observable defects apart from the expected mismatch interfacial dislocations and so the films would be expected to have good potential for applications. Under high electron beam dose rate (above about 6000 e-/Å 2s) domains of an ordered structure appear and these are interpreted as being created by oxygen vacancy ordering. The ordered structure does not appear at lower losemore » rates (ca. 2600 e-/Å 2s) and can be removed by imaging under 1 mbar oxygen gas in an environmental TEM. EELS confirms that there is both oxygen deficiency and the associated increase in Ce 3+ versus Ce 4+ cations in the ordered domains. In situ high resolution TEM recordings show the formation of the ordered domains as well as atomic migration along the ceria thin film (001) surface.« less

Advanced Proton Conducting Polymer Electrolytes for Electrochemical Capacitors

NASA Astrophysics Data System (ADS)

Gao, Han

Research on solid electrochemical energy storage devices aims to provide high performance, low cost, and safe operation solutions for emerging applications from flexible consumer electronics to microelectronics. Polymer electrolytes, minimizing device sealing and liquid electrolyte leakage, are key enablers for these next-generation technologies. In this thesis, a novel proton-conducing polymer electrolyte system has been developed using heteropolyacids (HPAs) and polyvinyl alcohol for electrochemical capacitors. A thorough understanding of proton conduction mechanisms of HPAs together with the interactions among HPAs, additives, and polymer framework has been developed. Structure and chemical bonding of the electrolytes have been studied extensively to identify and elucidate key attributes affecting the electrolyte properties. Numerical models describing the proton conduction mechanism have been applied to differentiate those attributes. The performance optimization of the polymer electrolytes through additives, polymer structural modifications, and synthesis of alternative HPAs has achieved several important milestones, including: (a) high proton mobility and proton density; (b) good ion accessibility at electrode/electrolyte interface; (c) wide electrochemical stability window; and (d) good environmental stability. Specifically, high proton mobility has been addressed by cross-linking the polymer framework to improve the water storage capability at normal-to-high humidity conditions (e.g. 50-80% RH) as well as by incorporating nano-fillers to enhance the water retention at normal humidity levels (e.g. 30-60% RH). High proton density has been reached by utilizing additional proton donors (i.e. acidic plasticizers) and by developing different HPAs. Good ion accessibility has been achieved through addition of plasticizers. Electrochemical stability window of the electrolyte system has also been investigated and expanded by utilizing HPAs with different heteroatoms. The optimized polymer electrolyte demonstrated even higher proton conductivity than pure HPAs and the enabled electrochemical capacitors have demonstrated an exceptionally high rate capability of 50 Vs-1 in cyclic voltammograms and a 10 ms time constant in impedance analyses.

Manipulating the transmission through valve structure composed of zero-index metamaterial

NASA Astrophysics Data System (ADS)

Wang, Yongxing; Sun, Zhouzhou; Xu, Ping

2017-11-01

We propose a valve structure composed of zero-index metamaterial to manipulate the electromagnetic wave conveniently and effectively through regulating the phase of reflected waves. Both the structure and characteristics of zero-index metamaterial need not to be changed when manipulating the transmission, which maintains the stability of zero-index metamaterial. Moreover, the good performance of tuning the electromagnetic wave is not limited by the shape and size of our proposed structure. By using our proposed valve structure, we demonstrate the realization of the tunable curved anisotropic ɛ-near-zero material waveguide with irregular shape, arbitrarily sized isotropic ɛ-near-zero material waveguide with high transmittance and the curved isotropic impedance matched ɛ-near-zero material waveguide without polarization limitations.

Enhanced thermal properties of novel shape-stabilized PEG composite phase change materials with radial mesoporous silica sphere for thermal energy storage.

PubMed

Min, Xin; Fang, Minghao; Huang, Zhaohui; Liu, Yan'gai; Huang, Yaoting; Wen, Ruilong; Qian, Tingting; Wu, Xiaowen

2015-08-11

Radial mesoporous silica (RMS) sphere was tailor-made for further applications in producing shape-stabilized composite phase change materials (ss-CPCMs) through a facile self-assembly process using CTAB as the main template and TEOS as SiO2 precursor. Novel ss-CPCMs composed of polyethylene glycol (PEG) and RMS were prepared through vacuum impregnating method. Various techniques were employed to characterize the structural and thermal properties of the ss-CPCMs. The DSC results indicated that the PEG/RMS ss-CPCM was a promising candidate for building thermal energy storage applications due to its large latent heat, suitable phase change temperature, good thermal reliability, as well as the excellent chemical compatibility and thermal stability. Importantly, the possible formation mechanisms of both RMS sphere and PEG/RMS composite have also been proposed. The results also indicated that the properties of the PEG/RMS ss-CPCMs are influenced by the adsorption limitation of the PEG molecule from RMS sphere with mesoporous structure and the effect of RMS, as the impurities, on the perfect crystallization of PEG.

Enhanced thermal properties of novel shape-stabilized PEG composite phase change materials with radial mesoporous silica sphere for thermal energy storage

PubMed Central

Min, Xin; Fang, Minghao; Huang, Zhaohui; Liu, Yan’gai; Huang, Yaoting; Wen, Ruilong; Qian, Tingting; Wu, Xiaowen

2015-01-01

Radial mesoporous silica (RMS) sphere was tailor-made for further applications in producing shape-stabilized composite phase change materials (ss-CPCMs) through a facile self-assembly process using CTAB as the main template and TEOS as SiO2 precursor. Novel ss-CPCMs composed of polyethylene glycol (PEG) and RMS were prepared through vacuum impregnating method. Various techniques were employed to characterize the structural and thermal properties of the ss-CPCMs. The DSC results indicated that the PEG/RMS ss-CPCM was a promising candidate for building thermal energy storage applications due to its large latent heat, suitable phase change temperature, good thermal reliability, as well as the excellent chemical compatibility and thermal stability. Importantly, the possible formation mechanisms of both RMS sphere and PEG/RMS composite have also been proposed. The results also indicated that the properties of the PEG/RMS ss-CPCMs are influenced by the adsorption limitation of the PEG molecule from RMS sphere with mesoporous structure and the effect of RMS, as the impurities, on the perfect crystallization of PEG. PMID:26261089

Aeroelastic effects in multirotor vehicles. Part 2: Methods of solution and results illustrating coupled rotor/body aeromechanical stability

NASA Technical Reports Server (NTRS)

Venkatesan, C.; Friedmann, P. P.

1987-01-01

This report is a sequel to the earlier report titled, Aeroelastic Effects in Multi-Rotor Vehicles with Application to Hybrid Heavy Lift System, Part 1: Formulation of Equations of Motion (NASA CR-3822). The trim and stability equations are presented for a twin rotor system with a buoyant envelope and an underslung load attached to a flexible supporting structure. These equations are specialized for the case of hovering flight. A stability analysis, for such a vehicle with 31 degrees of freedom, yields a total of 62 eigenvalues. A careful parametric study is performed to identify the various blade and vehicle modes, as well as the coupling between various modes. Finally, it is shown that the coupled rotor/vehicle stability analysis provides information on both the aeroelastic stability as well as complete vehicle dynamic stability. Also presented are the results of an analytical study aimed at predicting the aeromechanical stability of a single rotor helicopter in ground resonance. The theoretical results are found to be in good agreement with the experimental results, thereby validating the analytical model for the dynamics of the coupled rotor/support system.

Systems design study of the Pioneer Venus spacecraft. Volume 1. Technical analyses and tradeoffs, section 7 (part 3 of 4). [aerodynamic design problems for small probe reentry

NASA Technical Reports Server (NTRS)

1973-01-01

The aerodynamic design problems for the Pioneer Venus mission are discussed for a small probe shape that enters the atmosphere, and exhibits good stability for the subsonic portion of the flight. The problems discussed include: heat shield, structures and mechanisms, thermal control, decelerator, probe communication, data handling and command, and electric power.

Carbon nanocages as supercapacitor electrode materials.

PubMed

Xie, Ke; Qin, Xingtai; Wang, Xizhang; Wang, Yangnian; Tao, Haisheng; Wu, Qiang; Yang, Lijun; Hu, Zheng

2012-01-17

Supercapacitor electrode materials: Carbon nanocages are conveniently produced by an in situ MgO template method and demonstrate high specific capacitance over a wide range of charging-discharging rates with high stability, superior to the most carbonaceous supercapacitor electrode materials to date. The large specific surface area, good mesoporosity, and regular structure are responsible for the excellent performance. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Uniform manganese hexacyanoferrate hydrate nanocubes featuring superior performance for low-cost supercapacitors and nonenzymatic electrochemical sensors

NASA Astrophysics Data System (ADS)

Pang, Huan; Zhang, Yizhou; Cheng, Tao; Lai, Wen-Yong; Huang, Wei

2015-09-01

Uniform manganese hexacyanoferrate hydrate nanocubes are prepared via a simple chemical precipitation method at room temperature. Due to both micro/mesopores of the Prussian blue analogue and nanocubic structures, the manganese hexacyanoferrate hydrate nanocubes allow the efficient charge transfer and mass transport for electrolyte solution and chemical species. Thus, the manganese hexacyanoferrate hydrate nanocube electrode shows a good rate capability and cycling stability for electrochemical capacitors. Furthermore, electrodes modified with manganese hexacyanoferrate hydrate nanocubes demonstrate a sensitive electrochemical response to hydrogen peroxide (H2O2) in buffer solutions with a high selectivity.Uniform manganese hexacyanoferrate hydrate nanocubes are prepared via a simple chemical precipitation method at room temperature. Due to both micro/mesopores of the Prussian blue analogue and nanocubic structures, the manganese hexacyanoferrate hydrate nanocubes allow the efficient charge transfer and mass transport for electrolyte solution and chemical species. Thus, the manganese hexacyanoferrate hydrate nanocube electrode shows a good rate capability and cycling stability for electrochemical capacitors. Furthermore, electrodes modified with manganese hexacyanoferrate hydrate nanocubes demonstrate a sensitive electrochemical response to hydrogen peroxide (H2O2) in buffer solutions with a high selectivity. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr04322k

Effect of van der Waals interactions on the stability of SiC polytypes

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

Kawanishi, Sakiko, E-mail: s-kawa@tagen.tohoku.ac.jp; Mizoguchi, Teruyasu

2016-05-07

Density functional theory calculations with a correction of the long-range dispersion force, namely, the van der Waals (vdW) force, are performed for SiC polytypes. The lattice parameters are in good agreement with those obtained from the experiments. Furthermore, the stability of the polytypes in the experiments, which show 3C-SiC as the most stable, is reproduced by the present calculations. The effects of the vdW force on the electronic structure and the stability of polytypes are discussed. We observe that the vdW interaction is more sensitive to the cubic site than the hexagonal site. Thus, the influence of the vdW forcemore » increases with decreasing the hexagonality of the polytype, which results in the confirmation that the most stable polytype is 3C-SiC.« less

Novel Shape-Stabilized Phase Change Materials Composed of Polyethylene Glycol/Nonsurfactant-Templated Mesoporous Silica: Preparation and Thermal Properties

NASA Astrophysics Data System (ADS)

Chen, Yan; Zhu, Yingying; Wang, Jinbao; Lv, Mengjiao; Zhang, Xiongjie; Gao, Junkai; Zhang, Zijun; Lei, Hao

2017-12-01

A novel shape-stabilized phase change material (PEG/TAMS), fabricated using tannic acid-templated mesoporous silica (TAMS) as a support for polyethylene glycol, was developed for thermal energy storage. The method used to synthesize TAMS was simple, cost effective, environmentally friendly, and free of surfactant. The characterization results indicated that PEG was physically absorbed to TAMS and that TAMS had no influence on the crystal structure of PEG. According to the TGA thermograms, PEG/TAMS has excellent thermal stability and can be applied over a wide temperature range. Additionally, the differential scanning calorimetry results suggested that PEG/TAMS has good thermal properties and that its fusion and solidification enthalpies reached 114.7 J/g and 102.4 J/g, respectively. The results indicated that PEG/TAMS has great potential for practical applications.

Application of the Hughes-LIU algorithm to the 2-dimensional heat equation

NASA Technical Reports Server (NTRS)

Malkus, D. S.; Reichmann, P. I.; Haftka, R. T.

1982-01-01

An implicit explicit algorithm for the solution of transient problems in structural dynamics is described. The method involved dividing the finite elements into implicit and explicit groups while automatically satisfying the conditions. This algorithm is applied to the solution of the linear, transient, two dimensional heat equation subject to an initial condition derived from the soluton of a steady state problem over an L-shaped region made up of a good conductor and an insulating material. Using the IIT/PRIME computer with virtual memory, a FORTRAN computer program code was developed to make accuracy, stability, and cost comparisons among the fully explicit Euler, the Hughes-Liu, and the fully implicit Crank-Nicholson algorithms. The Hughes-Liu claim that the explicit group governs the stability of the entire region while maintaining the unconditional stability of the implicit group is illustrated.

Immobilization Effect of Morphological, Thermal and Optical Properties in Biotemplate on Zinc Oxide Nanocomposite from Chitosan

NASA Astrophysics Data System (ADS)

Karpuraranjith, M.; Thambidurai, S.

Biotemplate-based zinc oxide nanocomposite was effectively prepared via simple chemical precipitation route. The functional groups of amino (-NH2), hydroxyl (-OH) and O-Zn-O were confirmed and characterized by FTIR spectroscopy. The structural and morphological properties were confirmed by XRD, UV-Vis DRS, HR-SEM and TEM analyses. The elemental composition of carbon, nitrogen, zinc and oxygen was confirmed by energy-dispersive X-ray analysis (EDAX) and Brunauer-Emmett-Teller high surface area of materials was estimated to be 52.49m2/g, respectively. Thermogravimetric analysis (TGA) shows that biotemplate on zinc oxide nanocomposite has higher thermal stability than chitosan matrix. The results demonstrate that biotemplate on zinc oxide matrix causes immobilization effect among the two components. Therefore, chitosan-ZnO nanocomposite has a microcrystalline morphological structure and also good thermal stability, so it can be a promising material for sensors, medical, tissue engineering and wastewater treatment applications.

Optical properties of boron-group (V) hexagonal nanowires: DFT investigation

NASA Astrophysics Data System (ADS)

Santhibhushan, B.; Soni, Mahesh; Srivastava, Anurag

2017-07-01

The paper presents structural, electronic and optical properties of boron-group V hexagonal nanowires (h-NW) within the framework of density functional theory. The h-NW of boron-group V compounds with an analogous diameter of 12 Å have been designed in (1 1 1) plane. Stability analysis performed through formation energies reveal that, the stability of these structures decreases with increasing atomic number of the group V element. The band nature predicts that these nanowires are good electrical conductors. Optical behaviour of the nanowires has been analysed through absorption coefficient, reflectivity, refractive index, optical conductivity and electron energy loss spectrum (EELS), that are computed from the frequency-dependent complex dielectric function. The analysis reveals high reactivity of BP and BAs h-NWs to the incident light especially in the IR and visible ranges, and the optical transparency of BN h-NW in the visible and UV ranges.

Preparation and characterization of PVDF separators for lithium ion cells using hydroxyl-terminated polybutadiene grafted methoxyl polyethylene glycol (HTPB-g-MPEG) as additive

NASA Astrophysics Data System (ADS)

Li, Hao; Niu, Dong-Hui; Zhou, Hui; Chao, Chun-Ying; Wu, Li-Jun; Han, Pei-Lin

2018-05-01

Hydroxyl-terminated polybutadiene grafted methoxyl polyethylene glycol (HTPB-g-MPEG) with different arm length were synthesized by grafting methoxyl poly(ethylene glycol)s (MPEGs, Mn = 350, 750, 1900 and 5000, respectively) to the hydroxyl-terminated polybutadiene (HTPB) molecule using isophorone diisocyanate (IPDI) as the coupling agent, and blended with PVDF to fabricate porous separators via phase inversion process. By measuring the composition, morphology and ion conductivity etc., the influence of HTPB-g-MPEG on structure and property of blend separators were discussed. Compared with pure PVDF separator with comparable porous structure, the adoption of HTPB-g-MPEG could not only decrease the crystallinity, but also enhance the stability of entrapped liquid electrolyte and corresponding ion conductivity. The cells assembled with such separators showed good initial discharge capacity and cyclic stability.

Inkjet-printed Polyvinyl Alcohol Multilayers.

PubMed

Salaoru, Iulia; Zhou, Zuoxin; Morris, Peter; Gibbons, Gregory J

2017-05-11

Inkjet printing is a modern method for polymer processing, and in this work, we demonstrate that this technology is capable of producing polyvinyl alcohol (PVOH) multilayer structures. A polyvinyl alcohol aqueous solution was formulated. The intrinsic properties of the ink, such as surface tension, viscosity, pH, and time stability, were investigated. The PVOH-based ink was a neutral solution (pH 6.7) with a surface tension of 39.3 mN/m and a viscosity of 7.5 cP. The ink displayed pseudoplastic (non-Newtonian shear thinning) behavior at low shear rates, and overall, it demonstrated good time stability. The wettability of the ink on different substrates was investigated, and glass was identified as the most suitable substrate in this particular case. A proprietary 3D inkjet printer was employed to manufacture polymer multilayer structures. The morphology, surface profile, and thickness uniformity of inkjet-printed multilayers were evaluated via optical microscopy.

Ultra-precise micro-motion stage for optical scanning test

NASA Astrophysics Data System (ADS)

Chen, Wen; Zhang, Jianhuan; Jiang, Nan

2009-05-01

This study aims at the application of optical sensing technology in a 2D flexible hinge test stage. Optical fiber sensor which is manufactured taking advantage of the various unique properties of optical fiber, such as good electric insulation properties, resistance of electromagnetic disturbance, sparkless property and availability in flammable and explosive environment, has lots of good properties, such as high accuracy and wide dynamic range, repeatable, etc. and is applied in 2D flexible hinge stage driven by PZT. Several micro-bending structures are designed utilizing the characteristics of the flexible hinge stage. And through experiments, the optimal micro-bending tooth structure and the scope of displacement sensor trip under this optimal micro-bending tooth structure are derived. These experiments demonstrate that the application of optical fiber displacement sensor in 2D flexible hinge stage driven by PZT substantially broadens the dynamic testing range and improves the sensitivity of this apparatus. Driving accuracy and positioning stability are enhanced as well. [1,2

Structure of a Highly Active Cephalopod S-crystallin Mutant: New Molecular Evidence for Evolution from an Active Enzyme into Lens-Refractive Protein

PubMed Central

Tan, Wei-Hung; Cheng, Shu-Chun; Liu, Yu-Tung; Wu, Cheng-Guo; Lin, Min-Han; Chen, Chiao-Che; Lin, Chao-Hsiung; Chou, Chi-Yuan

2016-01-01

Crystallins are found widely in animal lenses and have important functions due to their refractive properties. In the coleoid cephalopods, a lens with a graded refractive index provides good vision and is required for survival. Cephalopod S-crystallin is thought to have evolved from glutathione S-transferase (GST) with various homologs differentially expressed in the lens. However, there is no direct structural information that helps to delineate the mechanisms by which S-crystallin could have evolved. Here we report the structural and biochemical characterization of novel S-crystallin-glutathione complex. The 2.35-Å crystal structure of a S-crystallin mutant from Octopus vulgaris reveals an active-site architecture that is different from that of GST. S-crystallin has a preference for glutathione binding, although almost lost its GST enzymatic activity. We’ve also identified four historical mutations that are able to produce a “GST-like” S-crystallin that has regained activity. This protein recapitulates the evolution of S-crystallin from GST. Protein stability studies suggest that S-crystallin is stabilized by glutathione binding to prevent its aggregation; this contrasts with GST-σ, which do not possess this protection. We suggest that a tradeoff between enzyme activity and the stability of the lens protein might have been one of the major driving force behind lens evolution. PMID:27499004

On the buckling of hexagonal boron nitride nanoribbons via structural mechanics

NASA Astrophysics Data System (ADS)

Giannopoulos, Georgios I.

2018-03-01

Monolayer hexagonal boron nitride nanoribbons have similar crystal structure as graphene nanoribbons, have excellent mechanical, thermal insulating and dielectric properties and additionally present chemical stability. These allotropes of boron nitride can be used in novel applications, in which graphene is not compatible, to achieve remarkable performance. The purpose of the present work is to provide theoretical estimations regarding the buckling response of hexagonal boron nitride monolayer under compressive axial loadings. For this reason, a structural mechanics method is formulated which employs the exact equilibrium atomistic structure of the specific two-dimensional nanomaterial. In order to represent the interatomic interactions appearing between boron and nitrogen atoms, the Dreiding potential model is adopted which is realized by the use of three-dimensional, two-noded, spring-like finite elements of appropriate stiffness matrices. The critical compressive loads that cause the buckling of hexagonal boron nitride nanoribbons are computed with respect to their size and chirality while some indicative buckled shapes of them are illustrated. Important conclusions arise regarding the effect of the size and chirality on the structural stability of the hexagonal boron nitride monolayers. An analytical buckling formula, which provides good fitting of the numerical outcome, is proposed.

Improved Electroformed Structural Copper and Copper Alloys

NASA Technical Reports Server (NTRS)

Malone, G. A.; Hudson, W.; Babcock, B.; Edwards, R.

1998-01-01

Electroforming offers a superior means for fabricating internally cooled heat exchangers and structures subjected to thermal environments. Copper is deposited from many such applications because of the good thermal conductivity. It suffers from mediocre yield strength as a structural material and loses mechanical strength at intermediate temperatures. Mechanical properties similar to those of electroformed nickel are desired. Phase 1 examined innovative means to improve deposited copper structural performance. Yield strengths as high as 483 MPa (70 ksi) were obtained with useful ductility while retaining a high level of purity essential to good thermal conductivity. Phase 2 represents a program to explore new additive combinations in copper electrolytes to produce a more fine, equiaxed grain which can be thermally stabilized by other techniques such as alloying in modest degrees and dispersion strengthening. Evaluation of new technology - such as the codeposition of fullerness (diamond-like) particles were made to enhance thermal conductivity in low alloys. A test fire quality tube-bundle engine was fabricated using these copper property improvement concepts to show the superiority of the new coppers and fabrications methods over competitive technologies such as brazing and plasma deposition.

Stabilization of polar Mn3O4(001) film on Ag(001): Interplay between kinetic and structural stability

NASA Astrophysics Data System (ADS)

Kundu, Asish K.; Barman, Sukanta; Menon, Krishnakumar S. R.

2017-10-01

Stabilization processes of polar surfaces are often very complex and interesting. Understanding of these processes is crucial as it ultimately determines the properties of the film. Here, by the combined study of Low Energy Electron Diffraction (LEED), X-ray Photoelectron Spectroscopy (XPS) and Ultraviolet Photoemission Spectroscopy (UPS) techniques we show that, although there can be many processes involved in the stabilization of the polar surfaces, in case of Mn3O4(001)/Ag(001), it goes through different reconstructions of the Mn2O4 terminated surface which is in good agreements with the theoretical predictions. The complex surface phase diagram has been probed by LEED as a function of film thickness, oxygen partial pressure and substrate temperature during growth, while their chemical compositions have been probed by XPS. Below a critical film thickness of ∼ 1 unit cell height (8 sublayers or 3 ML) of Mn3O4 and oxygen partial pressure range of 2 × 10-8 mbar < P(O2) ≤ 5 × 10-7 mbar, different surface structures are detected and beyond this thickness a constant evolution of apparent p(2 × 2) structure have been observed due to the coexistence of p(2 × 1) and c(2 × 2) structures. Similar apparent p(2 × 2) structure has also observed by the oxidation of Ag(001)-supported MnO(001) surface. Our study also shows that the substrate temperature during growth plays a crucial role in determining the final structure of the polar Mn3O4 film and as a consequence of that a strong interplay between structural and kinetic stability in the Mn3O4 film has been observed. Further, stripe-like LEED pattern has been observed from the Mn3O4(001) surface, for the film grown at higher oxygen partial pressure (> 5 × 10-7 mbar) and higher temperature UHV annealing. The origin of these stripes has been explained with the help of UPS results.

Achieving high capacity and rate capability in layered lithium transition metal oxide cathodes for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Ahn, Juhyeon; Susanto, Dieky; Noh, Jae-Kyo; Ali, Ghulam; Cho, Byung Won; Chung, Kyung Yoon; Kim, Jong Hak; Oh, Si Hyoung

2017-08-01

In this study, we target to find a new composition for a layered mixed metal oxide, which has a high structural stability and a good electrochemical performance. Our strategy is to alter the transition metal composition focusing on the relative amounts of redox active Ni and Co to the inactive Mn, based on highly-stabilized LiNi1/3Co1/3Mn1/3O2. X-ray absorption near-edge structure and X-ray diffraction analyses show that the degree of cation disorder decreases on increasing the ratio of Ni and Co to Mn, by the presence of Ni3+, suggesting that slightly higher Ni and Co contents lead to improved structural stability. Electrochemical studies demonstrate that LiNi0.4Co0.4Mn0.2O2 cathodes exhibit considerable improvements in both the reversible capacity and the rate capabilities at a voltage range of 2.5-4.6 V. In situ XRD measurements reveal that LiNi0.4Co0.4Mn0.2O2 maintains a single-phase and undergoes lesser structural variations compared to controlled compositions during a delithiation process up to 4.6 V, while achieving a high reversible capacity over 200 mAh g-1. As a result, LiNi0.4Co0.4Mn0.2O2 experiences fewer structural degradations during electrochemical cycling, which explains the excellent long-term cycling performance.

Flash Nanoprecipitation: Prediction and Enhancement of Particle Stability via Drug Structure

PubMed Central

2015-01-01

Flash nanoprecipitation (FNP) can generate hydrophobic drug nanoparticles in ∼100 nm with a much higher drug loading (e.g., > 40 wt %) than traditional nanocarriers (e.g., < 20 wt %). This paper studies the effects of drug molecules on nanoparticle stability made via FNP and demonstrates that chemically bonding a drug compound (e.g., paclitaxel) with a cleavable hydrophobic moiety of organosilicate (e.g., triethoxysilicate) is able to enhance the particle size stability. A nonionic amphiphilic diblock copolymer, poly(lactic-co-glycolic acid)-block-poly(ethylene glycol) (PLGA-b-PEG), is used as a model surfactant to provide steric stabilization. The experiments here show that the lower the drug solubility in the aqueous medium, the more stable the particles in terms of Ostwald ripening, which are consistent with the prediction by the LSW theory. The initial particle size distribution is sufficiently narrow and of insignificance to Ostwald ripening. To correlate the particle stability with hydrophobicity, this study introduces the n-octanol/water partition coefficient (LogP), a hydrophobicity indication, into the FNP technique. A comparison of various drugs and their analogues shows that LogP of a drug is a better hydrophobicity indication than the solubility parameter (δ) and correlates well with the particle stability. Empirically, with ACDLogP > ∼12, nanoparticles have good stability; with ∼2 < ACDLogP < ∼9, nanoparticles show fast Ostwald ripening and interparticle recrystallization; with ACDLogP < ∼2, the drug is very likely difficult to form nanoparticles. This rule creates a quick way to predict particle stability for a randomly selected drug structure and helps to enable a fast preclinical drug screen. PMID:24484077

Conjunction of Conducting Polymer Nanostructures with Macroporous Structured Graphene Thin Films for High-Performance Flexible Supercapacitors.

PubMed

Memon, Mushtaque A; Bai, Wei; Sun, Jinhua; Imran, Muhammad; Phulpoto, Shah Nawaz; Yan, Shouke; Huang, Yong; Geng, Jianxin

2016-05-11

Fabrication of hybridized structures is an effective strategy to promote the performances of graphene-based composites for energy storage/conversion applications. In this work, macroporous structured graphene thin films (MGTFs) are fabricated on various substrates including flexible graphene papers (GPs) through an ice-crystal-induced phase separation process. The MGTFs prepared on GPs (MGTF@GPs) are recognized with remarkable features such as interconnected macroporous configuration, sufficient exfoliation of the conductive RGO sheets, and good mechanical flexibility. As such, the flexible MGTF@GPs are demonstrated as a versatile conductive platform for depositing conducting polymers (CPs), e.g., polyaniline (PAn), polypyrrole, and polythiophene, through in situ electropolymerization. The contents of the CPs in the composite films are readily controlled by varying the electropolymerization time. Notably, electrodeposition of PAn leads to the formation of nanostructures of PAn nanofibers on the walls of the macroporous structured RGO framework (PAn@MGTF@GPs): thereafter, the PAn@MGTF@GPs display a unique structural feature that combine the nanostructures of PAn nanofibers and the macroporous structures of RGO sheets. Being used as binder-free electrodes for flexible supercapacitors, the PAn@MGTF@GPs exhibit excellent electrochemical performance, in particular a high areal specific capacity (538 mF cm(-2)), high cycling stability, and remarkable capacitive stability to deformation, due to the unique electrode structures.

Heavyweight cement concrete with high stability of strength parameters

NASA Astrophysics Data System (ADS)

Kudyakov, Konstantin; Nevsky, Andrey; Danke, Ilia; Kudyakov, Aleksandr; Kudyakov, Vitaly

2016-01-01

The present paper establishes regularities of basalt fibers distribution in movable cement concrete mixes under different conditions of their preparation and their selective introduction into mixer during the mixing process. The optimum content of basalt fibers was defined as 0.5% of the cement weight, which provides a uniform distribution of fibers in the concrete volume. It allows increasing compressive strength up to 51.2% and increasing tensile strength up to 28.8%. Micro-structural analysis identified new formations on the surface of basalt fibers, which indicates the good adhesion of hardened cement paste to the fibers. Stability of concrete strength parameters has significantly increased with introduction of basalt fibers into concrete mix.

Green synthesis of gold nanoparticles using aspartame and their catalytic activity for p-nitrophenol reduction

NASA Astrophysics Data System (ADS)

Wu, Shufen; Yan, Songjing; Qi, Wei; Huang, Renliang; Cui, Jing; Su, Rongxin; He, Zhimin

2015-05-01

We demonstrated a facile and environmental-friendly approach to form gold nanoparticles through the reduction of HAuCl4 by aspartame. The single-crystalline structure was illustrated by transmission electron microscopy (TEM) and X-ray diffraction (XRD). The energy-dispersive X-ray spectroscopy (EDS) and Fourier transform infrared (FTIR) results indicated that aspartame played a pivotal role in the reduction and stabilization of the gold crystals. The crystals were stabilized through the successive hydrogen-bonding network constructed between the water and aspartame molecules. Additionally, gold nanoparticles synthesized through aspartame were shown to have good catalytic activity for the reduction of p-nitrophenol to p-aminophenol in the presence of NaBH4.

Influence of methyl functional groups on the stability of cubane carbon cage

NASA Astrophysics Data System (ADS)

Katin, Konstantin P.; Prudkovskiy, Vladimir S.; Maslov, Mikhail M.

2016-07-01

We present a quantum-chemical study to elucidate the structure, energetics and stability of isolated polymethylcubane molecules C8H8-q(CH3)q. The results obtained by means of originally developed nonorthogonal tight-binding approach are in good agreement with the existed experimental data for solid octamethylcubane C8(CH3)8. The isomerization mechanisms for polymethylcubane family are studied in detail and the minimum energy barriers' heights preventing the decomposition are calculated. The temperature dependence of octamethylcubane molecule lifetime to the decomposition moment was determined by direct molecular dynamics simulation. It is shown that methyl groups destabilize the cubic carbon cage, but less than nitro groups.

Evaluating the Energetic Driving Force for Cocrystal Formation

PubMed Central

2017-01-01

We present a periodic density functional theory study of the stability of 350 organic cocrystals relative to their pure single-component structures, the largest study of cocrystals yet performed with high-level computational methods. Our calculations demonstrate that cocrystals are on average 8 kJ mol–1 more stable than their constituent single-component structures and are very rarely (<5% of cases) less stable; cocrystallization is almost always a thermodynamically favorable process. We consider the variation in stability between different categories of systems—hydrogen-bonded, halogen-bonded, and weakly bound cocrystals—finding that, contrary to chemical intuition, the presence of hydrogen or halogen bond interactions is not necessarily a good predictor of stability. Finally, we investigate the correlation of the relative stability with simple chemical descriptors: changes in packing efficiency and hydrogen bond strength. We find some broad qualitative agreement with chemical intuition—more densely packed cocrystals with stronger hydrogen bonding tend to be more stable—but the relationship is weak, suggesting that such simple descriptors do not capture the complex balance of interactions driving cocrystallization. Our conclusions suggest that while cocrystallization is often a thermodynamically favorable process, it remains difficult to formulate general rules to guide synthesis, highlighting the continued importance of high-level computation in predicting and rationalizing such systems. PMID:29445316

Plasma graft-polymerization for synthesis of highly stable hydroxide exchange membrane

NASA Astrophysics Data System (ADS)

Hu, Jue; Zhang, Chengxu; Jiang, Lin; Fang, Shidong; Zhang, Xiaodong; Wang, Xiangke; Meng, Yuedong

2014-02-01

A novel plasma graft-polymerization approach is adopted to prepare hydroxide exchange membranes (HEMs) using cardo polyetherketone powders (PEK-C) and vinylbenzyl chloride. The benzylic chloromethyl groups can be successfully introduced into the PEK-C polymer matrix via plasma graft-polymerization. This approach enables a well preservation in the structure of functional groups and formation of a highly cross-linked structure in the membrane, leading to an improvement on the stability and performance of HEMs. The chemical stabilities, including alkaline and oxidative stability, are evaluated under severe conditions by measuring hydroxide conductivity and weight changes during aging. The obtained PGP-NOH membrane retains 86% of the initial hydroxide conductivity in 6 mol L-1 KOH solution at 60 °C for 120 h, and 94% of the initial weight in 3 wt% H2O2 solution at 60 °C for 262 h. The PGP-NOH membrane also possesses excellent thermal stability (safely used below 120 °C), alcohol resistance (ethanol permeability of 6.6 × 10-11 m2 s-1 and diffusion coefficient of 3.7 × 10-13 m2 s-1), and an acceptable hydroxide conductivity (8.3 mS cm-1 at 20 °C in deionized water), suggesting a good candidate of PGP-NOH membrane for HEMFC applications.

Evaluating the Energetic Driving Force for Cocrystal Formation.

PubMed

Taylor, Christopher R; Day, Graeme M

2018-02-07

We present a periodic density functional theory study of the stability of 350 organic cocrystals relative to their pure single-component structures, the largest study of cocrystals yet performed with high-level computational methods. Our calculations demonstrate that cocrystals are on average 8 kJ mol -1 more stable than their constituent single-component structures and are very rarely (<5% of cases) less stable; cocrystallization is almost always a thermodynamically favorable process. We consider the variation in stability between different categories of systems-hydrogen-bonded, halogen-bonded, and weakly bound cocrystals-finding that, contrary to chemical intuition, the presence of hydrogen or halogen bond interactions is not necessarily a good predictor of stability. Finally, we investigate the correlation of the relative stability with simple chemical descriptors: changes in packing efficiency and hydrogen bond strength. We find some broad qualitative agreement with chemical intuition-more densely packed cocrystals with stronger hydrogen bonding tend to be more stable-but the relationship is weak, suggesting that such simple descriptors do not capture the complex balance of interactions driving cocrystallization. Our conclusions suggest that while cocrystallization is often a thermodynamically favorable process, it remains difficult to formulate general rules to guide synthesis, highlighting the continued importance of high-level computation in predicting and rationalizing such systems.

Design, synthesis, and structure-property relationships of isoindigo-based conjugated polymers.

PubMed

Lei, Ting; Wang, Jie-Yu; Pei, Jian

2014-04-15

Conjugated polymers have developed rapidly due to their promising applications in low-cost, lightweight, and flexible electronics. The development of the third-generation donor-acceptor (D-A) polymers greatly improved the device performance in organic solar cells (OSCs) and field-effect transistors (FETs). However, for further improvement of device performance, scientists need to develop new building blocks, in particular electron-deficient aromatics, and gain an in-depth understanding of the structure-property relationships. Recently, isoindigo has been used as a new acceptor of D-A conjugated polymers. An isomer of indigo, isoindigo is a less well-known dye and can be isolated as a by-product from certain biological processes. It has two lactam rings and exhibits strong electron-withdrawing character. This electron deficiency gives isoindigo-based polymers intriguing properties, such as broad absorption and high open circuit voltage in OSCs, as well as high mobility and good ambient stability in FETs. In this Account, we review our recent progress on the design, synthesis, and structure-property relationship study of isoindigo-based polymers for FETs. Starting with some discussion on carrier transport in polymer films, we provide some basic strategies towards high-performance polymer FETs. We discuss the stability issue of devices, the impediment of the alkyl side chains, and the choice of the donor part of conjugated polymers. We demonstrate that introducing the isoindigo core effectively lowers the HOMO levels of polymers and provides FETs with long-time stability. In addition, we have found that when we use inappropriate alkyl side chains or non-centrosymmetric donors, the device performance of isoindigo polymers suffers. To further improve device performance and ambient stability, we propose several design strategies, such as using farther branched alkyl chains, modulating polymer energy levels, and extending π-conjugated backbones. We have found that using farther branched alkyl chains can effectively decrease interchain π-π stacking distance and improve carrier mobility. When we introduce electron-deficient functional groups on the isoindigo core, the LUMO levels of the polymers markedly decrease, which significantly improves the electron mobility and device stability. In addition, we present a new polymer system called BDOPV, which is based on the concept of π-extended isoindigo. By application of some strategies successfully used in isoindigo-based polymers, BDOPV-based polymers exhibit high mobility and good stability both in n-type and in ambipolar FETs. We believe that a synergy of molecular engineering strategies towards the isoindigo core, donor units, and side chains may further improve the performance and broaden the application of isoindigo-based polymers.

Bio-lubricants derived from waste cooking oil with improved oxidation stability and low-temperature properties.

PubMed

Li, Weimin; Wang, Xiaobo

2015-01-01

Waste cooking oil (WCO) was chemically modified via epoxidation using H2O2 followed by transesterification with methanol and branched alcohols (isooctanol, isotridecanol and isooctadecanol) to produce bio-lubricants with improved oxidative stability and low temperature properties. Physicochemical properties of synthesized bio-lubricants such as pour point (PP), cloud point (CP), viscosity, viscosity index (VI), oxidative stability, and corrosion resistant property were determined according to standard methods. The synthesized bio-lubricants showed improved low temperature flow performances compared with WCO, which can be attributing to the introduction of branched chains in their molecular structures. What's more, the oxidation stability of the WCO showed more than 10 folds improvement due to the elimination of -C=C-bonds in the WCO molecule. Tribological performances of these bio-lubricants were also investigated using four-ball friction and wear tester. Experimental results showed that derivatives of WCO exhibited favorable physicochemical properties and tribological performances which making them good candidates in formulating eco-friendly lubricants.

Structural stability and electronic behaviors of Co1-xOsxSi and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

NASA Astrophysics Data System (ADS)

Bouafia, H.; Sahli, B.; Timaoui, M. A.; Djebour, B.; Hiadsi, S.; Abidri, B.

2018-02-01

The present work represents a theoretical investigation based on FP-(L)APW + lo method of structural properties, mechanical stability and electronic properties of Co1-xOsxSi as well as the macroscopic magnetic susceptibilities of CoSi and OsSi. The structural properties such as cell parameter, bulk modulus, internal parameters and total energy of non-magnetic NM, ferromagnetic FM and antiferromagnetic AFM phases were predicted by GGA-PBEsol semilocal functional. The obtained results for CoSi and OsSi are in good agreement with those found previously. The spin, orbital and total macroscopic magnetic susceptibilities of CoSi and OsSi have been estimated and confirmed that these compounds are diamagnetic. The total energy of the ferromagnetic phase of Co1-xOsxSi (with x = 0.25, 0.5 and 0.75) is the lowest indicating that they are ferromagnetic materials. The generalized stability criteria indicate that Co1-xOsxSi maintain their mechanical stabilities under a hydrostatic pressure less than 10 GPa. The electronic properties calculated by GW-approximation indicate that CoSi and Co1-xOsxSi (with x = 0.25, 0.50 and 0.75) are semimetals whereas OsSi is a semiconductor with a pseudo-direct band-gap. The topological analysis by QTAIM and the charge density plots indicate that the strong covalent character is predominant for Cosbnd Si, Ossbnd Si and Cosbnd Os bonds.

Physical and chemical stability of nanostructured lipid drug carriers (NLC) based on natural lipids from Baikal region (Siberia, Russia).

PubMed

Averina, E S; Müller, R H; Popov, D V; Radnaeva, L D

2011-05-01

At the turn of the millennium, a new generation of lipid nanoparticles for pharmacology was developed, nanostructured lipid carriers (NLC). The features of NLC structure which allow the inclusion of natural biologically active lipids in the NLC matrix open a wide prospect for the creation of high performance drug carriers. In this study NLC formulations were developed based on natural lipids from the Siberia region (Russia): fish oil from Lake Baikal fish; polyunsaturated fatty acid fractions and monounsaturated and saturated fatty acid fractions from fish oil and Siberian pine seed oil. Formulation parameters of NLC such as as type of surfactant and storage conditions were evaluated. The data obtained indicated high physical stability of NLC formulated on the basis of pure fish oil stabilized by Tween 80 and NLC formulated on the basis of free fatty acids stabilized by Poloxamer 188. The good chemical stability of the lipid matrix and the high concentrations of the biologically active polyunsaturated fatty acids in the NLC developed open wide prospects for their use in pharmaceutics and cosmetics.

Substrate Effects for Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Yamada, Toshishige; Saini, Subhash (Technical Monitor)

1998-01-01

A substrate for future atomic chain electronics, where adatoms are placed at designated positions and form atomically precise device components, is studied theoretically. The substrate has to serve as a two-dimensional template for adatom mounting with a reasonable confinement barrier and also provide electronic isolation, preventing unwanted coupling between independent adatom structures. For excellent structural stability, we demand chemical bonding between the adatoms and substrate atoms, but then good electronic isolation may not be guaranteed. Conditions are clarified for good isolation. Because of the chemical bonding, fundamental adatom properties are strongly influenced: a chain with group IV adatoms having two chemical bonds, or a chain with group III adatoms having one chemical bond is semiconducting. Charge transfer from or to the substrate atoms brings about unintentional doping, and the electronic properties have to be considered for the entire combination of the adatom and substrate systems even if the adatom modes are well localized at the surface.

Mechanical and shape memory properties of porous Ni50.1Ti49.9 alloys manufactured by selective laser melting.

PubMed

Taheri Andani, Mohsen; Saedi, Soheil; Turabi, Ali Sadi; Karamooz, M R; Haberland, Christoph; Karaca, Haluk Ersin; Elahinia, Mohammad

2017-04-01

Near equiatomic NiTi shape memory alloys were fabricated in dense and designed porous forms by Selective Laser Melting (SLM) and their mechanical and shape memory properties were systematically characterized. Particularly, the effects of pore morphology on their mechanical responses were investigated. Dense and porous NiTi alloys exhibited good shape memory effect with a recoverable strain of about 5% and functional stability after eight cycles of compression. The stiffness and residual plastic strain of porous NiTi were found to depend highly on the pore shape and the level of porosity. Since porous NiTi structures have lower elastic modulus and density than dense NiTi with still good shape memory properties, they are promising materials for lightweight structures, energy absorbers, and biomedical implants. Copyright © 2017 Elsevier Ltd. All rights reserved.

Femtosecond Laser Ablated FBG with Composite Microstructure for Hydrogen Sensor Application.

PubMed

Zou, Meng; Dai, Yutang; Zhou, Xian; Dong, Ke; Yang, Minghong

2016-12-01

A composite microstructure in fiber Bragg grating (FBG) with film deposition for hydrogen detection is presented. Through ablated to FBG cladding by a femtosecond laser, straight-trenches and spiral micro-pits are formed. A Pd-Ag film is sputtered on the surface of the laser processed FBG single mode fiber, and acts as hydrogen sensing transducer. The demonstrated experimental outcomes show that a composite structure produced the highest sensitivity of 26.3 pm/%H, nearly sevenfold more sensitive compared with original standard FBG. It offers great potential in engineering applications for its good structure stability and sensitivity.

Chemical shifts of diamagnetic azafullerenes: (C 59N) 2 and C 59HN

NASA Astrophysics Data System (ADS)

Bühl, Michael; Curioni, Alessandro; Andreoni, Wanda

1997-08-01

13C and 15N chemical shifts have been calculated for the azafullerenes (C 59N) 2 and C 59HN using the GIAO (gauge including atomic orbitals)-SCF method based on the geometry obtained with the density functional theory BLYP scheme Our results are in good agreement with experimental data, in particular, for the "anomalous" shift of the saturated carbon. Combined with previous calculations of the structural stability and electronic as well as vibrational properties, the present findings confirm the calculated structures for both molecules and establish the [6,6]-closed configuration for the dimer.

Quality Matters: Extension of Clusters of Residues with Good Hydrophobic Contacts Stabilize (Hyper)Thermophilic Proteins

PubMed Central

2015-01-01

Identifying determinant(s) of protein thermostability is key for rational and data-driven protein engineering. By analyzing more than 130 pairs of mesophilic/(hyper)thermophilic proteins, we identified the quality (residue-wise energy) of hydrophobic interactions as a key factor for protein thermostability. This distinguishes our study from previous ones that investigated predominantly structural determinants. Considering this key factor, we successfully discriminated between pairs of mesophilic/(hyper)thermophilic proteins (discrimination accuracy: ∼80%) and searched for structural weak spots in E. coli dihydrofolate reductase (classification accuracy: 70%). PMID:24437522

Synthesis and structure elucidation of fluoro substituted guanidines as potential therapeutic agents

NASA Astrophysics Data System (ADS)

Ullah, Waseem; Imtiaz-ud-Din; Raheel, Ahmad; Badshah, Amin; Tahir, Muhammad Nawaz

2017-09-01

Six new fluoro -substituted guanidines (1-6) were synthesized and characterized by 1H and 13C NMR spectroscopy to ascertain the structures in solution (DMSO) besides the solid state information collected through FT IR and single crystal X-ray spectroscopy. The XRD data for (1-3) show that molecules are stabilized by strong intramolecular hydrogen bonding. The compounds were also preliminary bio-assayed for anti-microbial studies and show good to moderate activities. The anti-oxidant data revealed that o and p-substituted fluoro-guanidines enhances their DPPH scavenging ability significantly.

The Italian version of the Depression Anxiety Stress Scales-21: Factor structure and psychometric properties on community and clinical samples.

PubMed

Bottesi, Gioia; Ghisi, Marta; Altoè, Gianmarco; Conforti, Erica; Melli, Gabriele; Sica, Claudio

2015-07-01

The Depression Anxiety Stress Scales-21 (DASS-21) is the short version of a self-report measure that was originally developed to provide maximum differentiation between depressive and anxious symptoms. Despite encouraging evidence, the factor structure and other features of the DASS-21 are yet to be firmly established. A community sample of 417 participants and two clinical groups (32 depressive patients and 25 anxious patients) completed the Italian version of the DASS-21 along with several measures of psychopathology. Confirmatory factor analyses suggested that the DASS-21 is a measure of general distress plus three additional orthogonal dimensions (anxiety, depression, and stress). The internal consistency and temporal stability of the measure were good; each DASS-21 scale correlated more strongly with a measure of a similar construct, demonstrating good convergent and divergent validity. Lastly, the DASS-21 demonstrated good criterion-oriented validity. The validity of the Italian DASS-21 and its utility, both for community and clinical individuals, are supported. Copyright © 2015 Elsevier Inc. All rights reserved.

Domain structure sequence in ferroelectric Pb(Zr0.2Ti0.8)O3 thin film on MgO

NASA Astrophysics Data System (ADS)

Janolin, Pierre-Eymeric; Fraisse, Bernard; Dkhil, Brahim; Le Marrec, Françoise; Ringgaard, Erling

2007-04-01

The structural evolution of a polydomain ferroelectric Pb(Zr0.2Ti0.8)O3 film was studied by temperature-dependent x-ray diffraction. Two critical temperatures were evidenced: T*=740K, corresponding to a change in the domain structure (a /c/a/c to a1/a2/a1/a2), and TCfilm=825K, where the film undergoes a ferroelectric-paraelectric phase transition. The film remains tetragonal on the whole range of temperature investigated. The evolutions of the domain structure and lattice parameters were found to be in very good agreement with the calculated domain stability map and theoretical temperature-misfit strain phase diagram, respectively.

Hydrothermal synthesis of superparamagnetic Fe{sub 3}O{sub 4} nanoparticles with ionic liquids as stabilizer

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

Liu, Xiao-Di, E-mail: liuxiaodiny@126.com; Chen, Hao; Liu, Shan-Shan

2015-02-15

Highlights: • Superparamagnetic Fe{sub 3}O{sub 4} nanoparticles with good dispersity have been synthesized via hydrothermal method. • Ionic liquid [C{sub 16}mim]Cl acts as stabilizer for the Fe{sub 3}O{sub 4} nanoparticles. • Fe{sub 3}O{sub 4} nanoparticles have a saturation magnetization of 67.69 emu/g at 300 K. - Abstract: Superparamagnetic Fe{sub 3}O{sub 4} nanoparticles have been successfully synthesized under hydrothermal condition with the assistant of ionic liquid 1-hexadecyl-3-methylimidazolium chloride ([C{sub 16}mim]Cl). The structure and morphology of the sample have been investigated by X-ray diffraction (XRD), X-ray photoelectron spectra (XPS), transmission electron microscopy (TEM), and high-resolution TEM (HRTEM), and the results indicate thatmore » the as-synthesized inverse spinel Fe{sub 3}O{sub 4} nanoparticles have an average diameter of about 10 nm and exhibit relatively good dispersity. More importantly, it is found that [C{sub 16}mim]Cl acts as stabilizer for the Fe{sub 3}O{sub 4} nanoparticles by adsorbing on the particles surfaces to prevent the agglomeration. In addition, the obtained superparamagnetic Fe{sub 3}O{sub 4} nanoparticles have a saturation magnetization of 67.69 emu/g at 300 K.« less

Ferrofluids based on Co-Fe-Si-B amorphous nanoparticles

NASA Astrophysics Data System (ADS)

Wang, Tianqi; Bian, Xiufang; Yang, Chuncheng; Zhao, Shuchun; Yu, Mengchun

2017-03-01

Magnetic Co-Fe-Si-B amorphous nanoparticles were successfully synthesized by chemical reduction method. ICP, XRD, DSC, and TEM were used to investigate the composition, structure and morphology of Co-Fe-Si-B samples. The results show that the Co-Fe-Si-B samples are amorphous, which consist of nearly spherical nanoparticles with an average particle size about 23 nm. VSM results manifest that the saturation magnetization (Ms) of Co-Fe-Si-B samples ranges from 46.37 to 62.89 emu/g. Two kinds of ferrofluids (FFs) were prepared by dispersing Co-Fe-Si-B amorphous nanoparticles and CoFe2O4 nanoparticles in kerosene and silicone oil, respectively. The magnetic properties, stability and viscosity of the FFs were investigated. The FFs with Co-Fe-Si-B samples have a higher Ms and lower coercivity (Hc) than FFs with CoFe2O4 sample. Under magnetic field, the silicone oil-based FFs exhibit high stability. The viscosity of FFs under different applied magnetic fields was measured by a rotational viscometer, indicating that FFs with Co-Fe-Si-B particles present relative strong response to an external magnetic field. The metal-boride amorphous alloy nanoparticles have potential applications in the preparation of magnetic fluids with good stability and good magnetoviscous properties.

African Union: Towards Good Governance, Peace and Security

DTIC Science & Technology

2012-03-15

While good governance, peace and security remain individual state responsibilities, they constitute the main pillars of Africa’s political stability and...African national leadership to drive this process.2 Political stability itself requires strong state institutional capabilities to ensure continuity

Highly Adsorptive, MOF-Functionalized Nonwoven Fiber Mats for Hazardous Gas Capture Enabled by Atomic Layer Deposition

DTIC Science & Technology

2014-03-20

ligands, [ 3 ] exhibit high surface area, good thermal stability, and have signifi cant synthetic versatility, ena- bling structures with tunable pore...sizes and adjustable internal functionality. [ 4 ] MOF synthesis usually follows wet solvo- thermal batch methods, producing pow- ders that require...surface areas—limiting applicability. For example, Kuesgens et al. grew HKUST-1 crystals on pulp fibers using direct solvo- thermal synthesis and found

Hierarchical NiCo2 O4 nanosheets grown on Ni nanofoam as high-performance electrodes for supercapacitors.

PubMed

Gao, Guoxin; Wu, Hao Bin; Ding, Shujiang; Liu, Li-Min; Lou, Xiong Wen David

2015-02-18

A high-performance electrode for supercapacitors is designed and synthesized by growing electroactive NiCo2 O4 nanosheets on conductive Ni nanofoam. Because of the structural advantages, the as-prepared Ni@NiCo2 O4 hybrid nanostructure exhibits significantly improved electrochemical performance with high capacitance, excellent rate capability, and good cycling stability. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The electromagnetic environment in CFC structures

NASA Technical Reports Server (NTRS)

Hardwick, C. J.; Haigh, S. J.

1991-01-01

Extensive measurements of induced voltages and currents were made using a CFC (carbon fiber composites) horizontal stabilizer from the A320 as a test bed. The work was done to investigate the efficacy of various protection schemes to reduce the magnitudes of the induced voltages and validate a computer program INDCAL. Results indicate that a good understanding of the various induced voltage mechanisms including the long wave effect due to current redistribution was obtained.

Ab initio correlated study of the Al13H- anion: Isomers, their kinetic stability and vertical detachment energies

NASA Astrophysics Data System (ADS)

Moc, Jerzy

2012-01-01

We report correlated ab initio calculations for the Al13H- cluster anion isomers, their kinetic stability and vertical detachment energies (VDEs). Of the two most energetically favored anion structures involving H atom in terminal and threefold bridged sites of the icosahedral Al13-, the higher energy ‘threefold bridged' isomer is shown to be of low kinetic stability. Our results are consistent with the recent photoelectron spectroscopy (PE) study of Grubisic et al. who observed two distinct Al13H- isomers, one of them identified as ‘metastable'. The VDE energies computed at the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVDZ level for the ‘terminal' and ‘threefold bridged' Al13H- isomers of 3.21 and 2.32 eV are in good agreement with those determined in the PE study.

Long-term behaviors of phosphate-based rapid repairing material for concrete shafts in coal mines.

PubMed

Lei, Feng; Zhen-Ya, Zhang; Xiao-Dong, Wen; Chao, Xin; Dong-Yuan, Hu

2018-04-01

Concrete structures in shaft linings are apt to deteriorate prematurely and therefore prompt restoration is required. In considering this, desulphurization fly ash and machine-made tuff sand are employed to fabricate a phosphate-based rapid repairing material. The long-term efficiency of the material is evaluated based on combined factors, so drying shrinkage, interfacial bonding strength, corrosion resistance, and combustibility of the specimens are tested and researched in this paper. Experimental results showed that, under a dry circumstance, the material goes through a minor expansion at an early stage. It goes into a stage of rapid contraction after one day and a stable contraction after seven days. After 28 days, the total deformation is 67 micro-strains. On the other hand, the fabricated material manifests an excellent mechanical property. The one hour bending strength and compressive strength were 9.2 MPa and 32.6 MPa, respectively. A long-term mine water flushing simulation demonstrates that only 10% bending strength is lost and the corrosion resistance coefficient stays above 0.8, so a very good corrosion resistance is thus achieved. What is more, this repairing material retains its stability even at a high temperature of 1000°C, revealing its good thermo-stability. All these prominent properties make it a good prospective material for real restoration applications.

An Effective Design of Electrically Conducting Thin-Film Composite (TFC) Membranes for Bio and Organic Fouling Control in Forward Osmosis (FO).

PubMed

Liu, Qing; Qiu, Guanglei; Zhou, Zhengzhong; Li, Jingguo; Amy, Gary Lee; Xie, Jianping; Lee, Jim Yang

2016-10-04

The organic foulants and bacteria in secondary wastewater treatment can seriously impair the membrane performance in a water treatment plant. The embedded electrode approach using an externally applied potential to repel organic foulants and inhibit bacterial adhesion can effectively reduce the frequency of membrane replacement. Electrode embedment in membranes is often carried out by dispensing a conductor (e.g., carbon nanotubes, or CNTs) in the membrane substrate, which gives rise to two problems: the leaching-out of the conductor and a percolation-limited membrane conductivity that results in an added energy cost. This study presents a facile method for the embedment of a continuous electrode in thin-film composite (TFC) forward osmosis (FO) membranes. Specifically, a conducting porous carbon paper is used as the understructure for the formation of a membrane substrate by the classical phase inversion process. The carbon paper and the membrane substrate polymer form an interpenetrating structure with good stability and low electrical resistance (only about 1Ω/□). The membrane-electrode assembly was deployed as the cathode of an electrochemical cell, and showed good resistance to organic and microbial fouling with the imposition of a 2.0 V DC voltage. The carbon paper-based FO TFC membranes also possess good mechanical stability for practical use.

Preparation and characterisation of a novel hydrogel based on Auricularia polytricha β-glucan and its bio-release property for vitamin B12 delivery.

PubMed

Zhu, Kai; Chen, Xiaoyuan; Yu, Da; He, Yue; Song, Guanglei

2018-05-01

This study investigates a novel hydrogel synthesis method and its bio-release property. This hydrogel, with a three-dimensional network structure based on Auricularia polytricha β-glucan, was characterised by means of Fourier transform infrared spectroscopy, 1 H NMR and scanning electron microscopy. Vitamin B 12 (VB 12 , cobalamin) as a hydrophilic functional food component was entrapped into these hydrogels. The in vitro release profile of VB 12 was established in simulated gastric fluid (SGF) and simulated intestinal fluid (SIF). The results showed that the hydrogel had medium pore size from 30 to 300 µm, and the swelling ratio increased with the degree of substitution. The hydrogel demonstrated good stability in SGF and bio-release capability in SIF for VB 12 . The accumulated release rate is about 80% in SIF and below 20% in SGF, which indicated the significant different release property in stomach and intestine. The Auricularia polytricha β-glucan-based hydrogel has a good swelling ratio, pepsin stability and pancrelipase-catalysed biodegradation property. The bio-release rate is significantly different in SIF and SGF, which indicated that this hydrogel could be a good intestinal target carrier of VB 12 . © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Synthesis and Performance of Highly Stable Star-Shaped Polyaniline Electrochromic Materials with Triphenylamine Core

NASA Astrophysics Data System (ADS)

Xiong, Shanxin; Li, Shuaishuai; Zhang, Xiangkai; Wang, Ru; Zhang, Runlan; Wang, Xiaoqin; Wu, Bohua; Gong, Ming; Chu, Jia

2018-02-01

The molecular architecture of conducting polymers has a significant impact on their conjugated structure and electrochemical properties. We have investigated the influence of star-shaped structure on the electrochemical and electrochromic properties of polyaniline (PANI). Star-shaped PANI (SPANI) was prepared by copolymerization of aniline with triphenylamine (TPA) using an emulsion polymerization method. With addition of less than 4.0 mol.% TPA, the resulting SPANI exhibited good solubility in xylene with dodecylbenzenesulfonic acid (DBSA) as doping acid. The structure and thermal stability of the SPANI were characterized using Fourier-transform infrared spectroscopy, Raman spectroscopy, and thermogravimetric analysis, and the electrochemical behavior was analyzed by cyclic voltammetry (CV). The electrochromic properties of SPANI were tested using an electrochemical workstation combined with an ultraviolet-visible (UV-Vis) spectrometer. The results show that, with increasing TPA loading, the thermal stability of SPANI increased. With addition of 4.0 mol.% TPA, the weight loss of SPANI was 36.9% at 700°C, much lower than the value of 71.2% for PANI at the same temperature. The low oxidation potential and large enclosed area of the CV curves indicate that SPANI possesses higher electrochemical activity than PANI. Enhanced electrochromic properties including higher optical contrast and better electrochromic stability of SPANI were also obtained. SPANI with 1.6 mol.% TPA loading exhibited the highest optical contrast of 0.71, higher than the values of 0.58 for PANI, 0.66 for SPANI-0.4%, or 0.63 for SPANI-4.0%. Overdosing of TPA resulted in slow switching speed due to slow ion transport in short branched chains of star-shaped PANI electrochromic material. Long-term stability testing confirmed that all the SPANI-based devices exhibited better stability than the PANI-based device.

Iron oxide nanoparticle layer templated by polydopamine spheres: a novel scaffold toward hollow-mesoporous magnetic nanoreactors

NASA Astrophysics Data System (ADS)

Huang, Liang; Ao, Lijiao; Xie, Xiaobin; Gao, Guanhui; Foda, Mohamed F.; Su, Wu

2014-12-01

Superparamagnetic iron oxide nanoparticle layers with high packing density and controlled thickness were in situ deposited on metal-affinity organic templates (polydopamine spheres), via one-pot thermal decomposition. The as synthesized hybrid structure served as a facile nano-scaffold toward hollow-mesoporous magnetic carriers, through surfactant-assisted silica encapsulation and its subsequent calcination. Confined but accessible gold nanoparticles were successfully incorporated into these carriers to form a recyclable catalyst, showing quick magnetic response and a large surface area (642.5 m2 g-1). Current nano-reactors exhibit excellent catalytic performance and high stability in reduction of 4-nitrophenol, together with convenient magnetic separability and good reusability. The integration of compact iron oxide nanoparticle layers with programmable polydopamine templates paves the way to fabricate magnetic-response hollow structures, with high permeability and multi-functionality.Superparamagnetic iron oxide nanoparticle layers with high packing density and controlled thickness were in situ deposited on metal-affinity organic templates (polydopamine spheres), via one-pot thermal decomposition. The as synthesized hybrid structure served as a facile nano-scaffold toward hollow-mesoporous magnetic carriers, through surfactant-assisted silica encapsulation and its subsequent calcination. Confined but accessible gold nanoparticles were successfully incorporated into these carriers to form a recyclable catalyst, showing quick magnetic response and a large surface area (642.5 m2 g-1). Current nano-reactors exhibit excellent catalytic performance and high stability in reduction of 4-nitrophenol, together with convenient magnetic separability and good reusability. The integration of compact iron oxide nanoparticle layers with programmable polydopamine templates paves the way to fabricate magnetic-response hollow structures, with high permeability and multi-functionality. Electronic supplementary information (ESI) available: Fig. S1-S5. See DOI: 10.1039/c4nr05931j

Direct electrochemistry of hemoglobin immobilized in CuO nanowire bundles.

PubMed

Li, Yueming; Zhang, Qian; Li, Jinghong

2010-11-15

It is one of main challenges to find the suitable materials to enhance the direct electron transfer between the electrode and redox protein for direct electrochemistry field. Nano-structured metal oxides have attracted considerable interest because of unique properties, well biocompatibility, and good stability. In this paper, the copper oxide nanowire bundles (CuO NWBs) were prepared via a template route, and the bioelectrochemical performances of hemoglobin (Hb) on the CuO NWBs modified glass carbon electrodes (denoted as Hb-CuO NWBs/GC) were studied. TEM and XRD were used to characterize the morphology and structure of the as synthesized CuO NWBs. Fourier transform-infrared spectroscopy (FT-IR) proved that Hb in the CuO NWBs matrix could retain its native secondary structure. A pair of well-defined and quasi-reversible redox peaks at approximately -0.325 V (vs. Ag/AgCl saturated KCl) were shown in the cyclic voltammogram curve for the Hb-CuO NWBs/GC electrode, which indicated the direct electrochemical behavior. The Hb-CuO NWBs/GC electrode also displayed a good electrocatalytic activity toward the reduction of hydrogen peroxide. These results indicate that the CuO NWBs are good substrates for immobilization of biomolecules and might be promising in the fields of (bio) electrochemical analysis. Copyright © 2010 Elsevier B.V. All rights reserved.

Structural investigation of (111) oriented (BiFeO3)(1-x)Λ/(LaFeO3)xΛ superlattices by X-ray diffraction and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Belhadi, J.; Yousfi, S.; Bouyanfif, H.; El Marssi, M.

2018-04-01

(BiFeO3)(1-x)Λ/(LaFeO3)xΛ superlattices (SLs) with varying x have been grown by pulsed laser deposition on (111) oriented SrTiO3 substrates. In order to obtain good epitaxy and flat samples, a conducting SrRuO3 buffer has been deposited prior to the superlattices to screen the polar mismatch for such (111) SrTiO3 orientation. X-ray diffraction reciprocal space mapping on a different family of planes was collected and evidenced a room temperature structural change at x = 0.5 from a rhombohedral/monoclinic structure for rich BiFeO3 to an orthorhombic symmetry for rich LaFeO3. This symmetry change has been confirmed by Raman spectroscopy and demonstrates the different phase stability compared to similar SLs grown on (100) SrTiO3. The strongly anisotropic strain and oxygen octahedral rotation/tilt system compatibility at the interfaces probably explain the orientation dependence of the phase stability in such superlattices.

Controllable synthesis of CuS hollow microflowers hierarchical structures for asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Liu, Yanxia; Zhou, Zhaoxiao; Zhang, Shengping; Luo, Wenhao; Zhang, Guofeng

2018-06-01

One of the major challenges of high-performance asymmetric supercapacitors is engineering electrode materials with high capacitance and good cycling stability. Hence, we have successfully prepared different CuS hierarchical structures including CuS tubular structures (T-CuS), CuS hollow microspheres (S-CuS) and CuS hollow microflowers (H-CuS) by adjusting the solvents, all of which are investigated as electrode materials for supercapacitors. Among them, the H-CuS electrode exhibits the best electrochemical performance involving a high capacitance of 536.7 F g-1 at a current density of 8 A g-1 and excellent cycling stability with 83.6% capacitance retention for 20,000 continuous cycles at a current density of 5 A g-1. In addition, an asymmetric supercapacitor has assembled with H-CuS as positive electrode and activated carbon (AC) as negative electrode, which exhibits a desirable energy density of 15.97 W h kg-1 when the power density is 185.4 W kg-1. These desirable electrochemical performances powerfully demonstrate that the H-CuS electrode has promising potential for applications in energy storage fields.

Stabilization of orthorhombic phase in single-crystal ZnSnN 2 films

DOE PAGES

Senabulya, Nancy; Feldberg, Nathaniel; Makin, Robert. A.; ...

2016-09-22

Here, we report on the crystal structure of epitaxial ZnSnN 2 films synthesized via plasma-assisted vapor deposition on (111) yttria stabilized zirconia (YSZ) and (001) lithium gallate (LiGaO 2) substrates. X-ray diffraction measurements performed on ZnSnN 2 films deposited on LiGaO 2 substrates show evidence of single-crystal, phase-pure orthorhombic structure in the Pn2 1a symmetry [space group (33)], with lattice parameters in good agreement with theoretically predicted values. This Pn2 1a symmetry is imposed on the ZnSnN 2 films by the LiGaO 2 substrate, which also has orthorhombic symmetry. A structural change from the wurtzite phase to the orthorhombic phasemore » in films grown at high substrate temperatures ~550°C and low values of nitrogen flux ~10 –5 Torr is observed in ZnSnN 2 films deposited on YSZ characterized by lattice contraction in the basal plane and a 5.7% expansion of the out-of-plane lattice parameter.« less

Neural Approximation-Based Adaptive Control for a Class of Nonlinear Nonstrict Feedback Discrete-Time Systems.

PubMed

Yan-Jun Liu; Shu Li; Shaocheng Tong; Chen, C L Philip

2017-07-01

In this paper, an adaptive control approach-based neural approximation is developed for a class of uncertain nonlinear discrete-time (DT) systems. The main characteristic of the considered systems is that they can be viewed as a class of multi-input multioutput systems in the nonstrict feedback structure. The similar control problem of this class of systems has been addressed in the past, but it focused on the continuous-time systems. Due to the complicacies of the system structure, it will become more difficult for the controller design and the stability analysis. To stabilize this class of systems, a new recursive procedure is developed, and the effect caused by the noncausal problem in the nonstrict feedback DT structure can be solved using a semirecurrent neural approximation. Based on the Lyapunov difference approach, it is proved that all the signals of the closed-loop system are semiglobal, ultimately uniformly bounded, and a good tracking performance can be guaranteed. The feasibility of the proposed controllers can be validated by setting a simulation example.

Two-Dimensional Phosphorus Oxides as Energy and Information Materials.

PubMed

Luo, Wei; Xiang, Hongjun

2016-07-18

Phosphorene is a rising star in electronics. Recently, 2D phosphorus oxides with higher stability have been synthesized. In this study, we theoretically explored the structures and properties of 2D phosphorus oxides. We found that the structural features of Px Oy vary with the oxygen content. When the oxygen content is low, the most stable Px Oy material can be obtained by the adsorption of O atoms on phosphorene. Otherwise, stable structures are no longer based on phosphorene and will contain P-O-P motifs. We found that P4 O4 has a direct band gap (about 2.24 eV), good optical absorption, and high stability in water, so it may be suitable for photochemical water splitting. P2 O3 adopts two possible stable ferroelectric structures (P2 O3 -I and P2 O3 -II) with electric polarization perpendicular and parallel to the lateral plane, respectively, as the lowest-energy configurations, depending on the layer thickness. We propose that P2 O3 could be used in novel nanoscale multiple-state memory devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis and Application of Pyrrolidone-containing Shale Inhibitors

NASA Astrophysics Data System (ADS)

Liu, Yonggui; Hou, Jie; Zhang, Yang; Yan, Jing; Song, Tao; Xu, Yongjun

2018-03-01

New generation polyamine inhibitors are amino-terminated polyethers with excellent inhibiting capabilities; they play a key role in borehole stabilization and reservoir protection. However, polyamine inhibitors are limited by their poor thermal stability, which can be attributed to the presence of ether bonds in their molecular structures. We propose a three-step synthesis approach fora novel pyrrolidone-containing polyamine inhibitor (DYNP) by introducing N-vinyl-2-pyrrolidone (NVP) on divinyloxyethane. This polyamine inhibitor exhibits an optimized molecular structure and has enhanced heat resistance. Characterizations by infrared (IR) spectroscopy and evaluation tests demonstrate several advantages of DYNP inhibitors, including excellent inhibiting capability (superior to similar materials such as polyamines), improved heat resistance (reasonable stability at temperatures up to 240°C), and good compatibility with both fresh water and salt water drilling fluids. These can be attributed to the presence of considerable amounts of amino groups in the repeating unit of DYNP molecules. The DYNP inhibitor was applied in over 20 boreholes in tight oil blocks in Daqing Oilfield to relieve hydration of formations with high shale contents. For instance, drilling in the 2033.5m horizontal section of Dragon 2 borehole was smooth, with a borehole diameter expansion ratio below 10%.

3D lanthanide metal-organic frameworks constructed from 2,6-naphthalenedicarboxylate ligand: synthesis, structure, luminescence and dye adsorption

NASA Astrophysics Data System (ADS)

Zhu, Yajing; Wang, Li; Chen, Xiaodong; Wang, Pengcheng; Fan, Yong; Zhang, Ping

2017-07-01

A series of novel isostructural 3D lanthanide metal-organic frameworks {[Ln2(NDC)3(H2O)4]·(DMF)4}n (Ln=Eu(1), Gd(2), Tb(3), Er(4), Yb(5), Dy(6), Y(7), Lu(8), H2NDC =2,6-Naphthalenedicarboxylic acid, DMF=N,N-dimethylformamide) with a rhombic channel along the b axis and high thermal stabilities, have been successfully synthesized under solvothermal conditions. The network can be described as 2, 4, 5-connected net with Schäfli symbol of (42.62.82)2(42.63.85)2(6). Luminescent studies illustrate that 1, 2, 7 and 8 exhibit strong luminescent emitting of the corresponding Ln(III) centers in the visible range, while 5 shows near-infrared range (NIR) luminescence. Further studies of 1 and 2A (activated product of 2) show that 1 displays good stability in different solvents and excellent fluorescence sensing for organic solvent small molecules and 2A ([Gd2(NDC)3(H2O)4]n) exhibits good adsorption capacity for organic dyes in water, especially for crystal violet.

Facile and low energy consumption synthesis of microencapsulated phase change materials with hybrid shell for thermal energy storage

NASA Astrophysics Data System (ADS)

Wang, Hao; Zhao, Liang; Chen, Lijie; Song, Guolin; Tang, Guoyi

2017-12-01

We designed a photocurable pickering emulsion polymerization to create microencapsulated phase change materials (MicroPCM) with polymer-silica hybrid shell. The emulsion was stabilized by modified SiO2 particles without any surfactant or dispersant. The polymerization process can be carried out at ambient temperature only for 5 min ultraviolet radiation, which is a low-energy procedure. The resultant capsules were shown a good core-shell structure and uniform in size. The surface of the microcapsules was covered by SiO2 particles. According to the DSC and TGA examinations, the microcapsules has good thermal energy storage-release performance, enhanced thermal reliability and thermal stability. When ratio of MMA/n-octadecane was 1.5/1.5. The encapsulation efficiency of the microcapsules reached 62.55%, accompanied with 122.31 J/g melting enthalpy. The work is virtually applicable to the construction of a wide variety of organic-inorganic hybrid shell MicroPCM. Furthermore, with the application of this method, exciting opportunities may arise for realizing rapid, continuous and large-scale industrial preparation of MicroPCM.

Rapid continuous synthesis of spherical reduced graphene ball-nickel oxide composite for lithium ion batteries

PubMed Central

Choi, Seung Ho; Ko, You Na; Lee, Jung-Kul; Kang, Yun Chan

2014-01-01

In this study, we synthesized a powder consisting of core-shell-structured Ni/NiO nanocluster-decorated graphene (Ni/NiO-graphene) by a simple process for use as an anodic material for lithium-ion batteries. First, a crumpled graphene powder consisting of uniformly distributed Ni nanoclusters was prepared by one-pot spray pyrolysis. This powder was subsequently transformed into the Ni/NiO-graphene composite by annealing at 300°C in air. The Ni/NiO-graphene composite powder exhibited better electrochemical properties than those of the hollow-structured NiO-Ni composite and pure NiO powders. The initial discharge and charge capacities of the Ni/NiO-graphene composite powder were 1156 and 845 mA h g−1, respectively, and the corresponding initial coulombic efficiency was 73%. The discharge capacities of the Ni/NiO-graphene, NiO-Ni, and pure NiO powders after 300 cycles were 863, 647, and 439 mA h g−1, respectively. The high stability of the Ni/NiO-graphene composite powder, attributable to the unique structure of its particles, resulted in it exhibiting long-term cycling stability even at a current density of 1500 mA g−1, as well as good rate performance. The structural stability of the Ni/NiO-graphene composite powder particles during cycling lowered the charge transfer resistance and improved the Li-ion diffusion rate. PMID:25167932

Porous worm-like NiMoO4 coaxially decorated electrospun carbon nanofiber as binder-free electrodes for high performance supercapacitors and lithium-ion batteries

NASA Astrophysics Data System (ADS)

Tian, Xiaodong; Li, Xiao; Yang, Tao; Wang, Kai; Wang, Hongbao; Song, Yan; Liu, Zhanjun; Guo, Quangui

2018-03-01

The peculiar architectures consisting of electrospun carbon nanofibers coaxially decorated by porous worm-like NiMoO4 were successfully fabricated for the first time to address the poor cycling stability and inferior rate capability of the state-of-the-art NiMoO4-based electrodes caused by the insufficient structural stability, dense structure and low conductivity. The porous worm-like structure endows the electrode high capacitance/capacity due to large effective specific surface area and short electron/ion diffusion channels. Moreover, the robust integrated electrode with sufficient internal spaces can self-accommodate volume variation during charge/discharge processes, which is beneficial to the structural stability and integrity. By the virtue of rational design of the architecture, the hybrid electrode delivered high specific capacitance (1088.5 F g-1 at 1 A g-1), good rate capability (860.3 F g-1 at 20 A g-1) and long lifespan with a capacitance retention of 73.9% after 5000 cycles when used as supercapacitor electrode. For lithium-ion battery application, the electrode exhibited a high reversible capacity of 1132.1 mAh g-1 at 0.5 A g-1. Notably, 689.7 mAh g-1 can be achieved even after 150 continuous cycles at a current density of 1 A g-1. In the view of their outstanding electrochemical performance and the cost-effective fabrication process, the integrated nanostructure shows great promising applications in energy storage.

Synthesis of Novel Aza-aromatic Curcuminoids with Improved Biological Activities towards Various Cancer Cell Lines.

PubMed

Theppawong, Atiruj; Van de Walle, Tim; Grootaert, Charlotte; Bultinck, Margot; Desmet, Tom; Van Camp, John; D'hooghe, Matthias

2018-05-01

Curcumin, a natural compound extracted from the rhizomes of Curcuma longa , displays pronounced anticancer properties but lacks good bioavailability and stability. In a previous study, we initiated structure modification of the curcumin scaffold by imination of the labile β-diketone moiety to produce novel β-enaminone derivatives. These compounds showed promising properties for elaborate follow-up studies. In this work, we focused on another class of nitrogen-containing curcuminoids with a similar objective: to address the bioavailability and stability issues and to improve the biological activity of curcumin. This paper thus reports on the synthesis of new pyridine-, indole-, and pyrrole-based curcumin analogues (aza-aromatic curcuminoids) and discusses their water solubility, antioxidant activity, and antiproliferative properties. In addition, multivariate statistics, including hierarchical clustering analysis and principal component analysis, were performed on a broad set of nitrogen-containing curcuminoids. Compared to their respective mother structures, that is, curcumin and bisdemethoxycurcumin, all compounds, and especially the pyridin-3-yl β-enaminone analogues, showed better water solubility profiles. Interestingly, the pyridine-, indole-, and pyrrole-based curcumin derivatives demonstrated improved biological effects in terms of mitochondrial activity impairment and protein content, in addition to comparable or decreased antioxidant properties. Overall, the biologically active N -alkyl β-enaminone aza-aromatic curcuminoids were shown to offer a desirable balance between good solubility and significant bioactivity.

Formation process and mechanism of iron-nitride compounds on Si(1 1 1)-7 × 7-CH3OH surface

NASA Astrophysics Data System (ADS)

Li, Wenxin; Ding, Wanyu; Ju, Dongying; Tanaka, Ken-ichi; Komori, Fumio

2018-07-01

Fe atoms were deposited on Si(1 1 1)-7 × 7 restructured surface, which had been covered by CH3OH molecules. A newly formed surface is stabilized by a quasi-potential made by breaking, and adsorbed atoms or molecules can be stabilized by forming "quasi-compounds". Then, aim to greatly enhance the magnetic properties of the memory units, nitriding experiments were implemented on the existing Fe compounds. With the in-situ observation of STM, a series of Fe3N structures make up the newly emerged iron-nitride compounds, showing good linear characteristics. By adjusting the concentration, this study further explored its formation process and compounds models.

Determination of residual solvents and investigation of their effect on ampicillin trihydrate crystal structure.

PubMed

Nojavan, Saeed; Ghassempour, Alireza; Bashour, Yosef; Darbandi, Masoud Khalilian; Ahmadi, Seyyed Hamid

2005-01-04

In the present work, the relationship between residual solvents concentration and ampicillin trihydrate crystals stability has been investigated. The amounts of residual solvents determined by GC, X-ray powder diffraction (XRPD) and Fourier transform infrared spectroscopy (FT-IR) were used for characterization of solid state. The obtained results have shown good relationship between concentration of methylene chloride (as a critical residue solvent) and degree of ampicillin trihydrate crystallinity. As with the increasing methylene chloride concentration in the sample the degree of crystallinity decreased after stability test. From this relationship, critical concentration of methylene chloride into the ampicillin trihydrate is obtained and the results can be used for improving the large-scale production of ampicillin trihydrate.

Synthesis of octahedral like Cu-BTC derivatives derived from MOF calcined under different atmosphere for application in CO oxidation

NASA Astrophysics Data System (ADS)

Yang, Yiqiong; Dong, Han; Wang, Yin; He, Chi; Wang, Yuxin; Zhang, Xiaodong

2018-02-01

A series of octahedral structure Cu-BTC derivatives were successfully achieved through direct calcination of copper based metal organic framework Cu-BTC under different atmosphere (CO reaction gas, oxidizing gas O2, reducing gas H2, inert gas Ar). The Cu-BTC derivatives were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), laser Raman spectroscopy (LRS), N2 adsorption-desorption isotherm, element analysis, H2-temperature program reduction (H2-TPR) and X-ray photoelectron spectroscopic (XPS). It is found that Cu-BTC derivative derived from MOF calcined under reaction gas/O2 (Cu-BTC-CO/Cu-BTC-O) only retain Cu2O and CuO species. In addition, a weak Cu-BTC structure and Cu particles were observed on Cu-BTC derivative derived from MOF calcined under H2 (Cu-BTC-H). Obviously differently, Cu-BTC derivative derived from MOF calcined under Ar (Cu-BTC-Ar) still retains good MOF structure. The catalytic performance for CO oxidation over Cu-BTC derivatives was studied. It was found that Cu-BTC-CO showed a smaller specific surface area (8.0 m2/g), but presented an excellent catalytic performance, long-term stability and cycling stability with a complete CO conversion temperature (T100) of 140 °C, which was ascribed to the higher Cu2O/CuO ratio, good low temperature reduction behavior and a high quantity of surface active oxygen species.

Anatomy of the inferior extensor retinaculum and its role in lateral ankle ligament reconstruction: a pictorial essay.

PubMed

Dalmau-Pastor, M; Yasui, Y; Calder, J D; Karlsson, J; Kerkhoffs, G M M J; Kennedy, J G

2016-04-01

The inferior extensor retinaculum (IER) is an aponeurotic structure, which is in continuation with the anterior part of the sural fascia. The IER has often been used to augment the reconstruction of the lateral ankle ligaments, for instance in the Broström-Gould procedure, with good outcomes reported. However, its anatomy has not been described in detail and only a few studies are available on this structure. The presence of a non-constant oblique supero-lateral band appears to be important. This structure defines whether the augmentation of the lateral ankle ligaments reconstruction is performed using true IER or only the anterior part of the sural fascia. It is concluded that the use of this structure will have an impact on the resulting ankle stability.

Buckling Imperfection Sensitivity of Axially Compressed Orthotropic Cylinders

NASA Technical Reports Server (NTRS)

Schultz, Marc R.; Nemeth, Michael P.

2010-01-01

Structural stability is a major consideration in the design of lightweight shell structures. However, the theoretical predictions of geometrically perfect structures often considerably over predict the buckling loads of inherently imperfect real structures. It is reasonably well understood how the shell geometry affects the imperfection sensitivity of axially compressed cylindrical shells; however, the effects of shell anisotropy on the imperfection sensitivity is less well understood. In the present paper, the development of an analytical model for assessing the imperfection sensitivity of axially compressed orthotropic cylinders is discussed. Results from the analytical model for four shell designs are compared with those from a general-purpose finite-element code, and good qualitative agreement is found. Reasons for discrepancies are discussed, and potential design implications of this line of research are discussed.

Porous hydrogels from shark skin collagen crosslinked under dense carbon dioxide atmosphere.

PubMed

Fernandes-Silva, Susana; Moreira-Silva, Joana; Silva, Tiago H; Perez-Martin, Ricardo I; Sotelo, Carmen G; Mano, João F; Duarte, Ana Rita C; Reis, Rui L

2013-11-01

The possibility to fabricate marine collagen porous structures crosslinked with genipin under high pressure carbon dioxide is investigated. Collagen from shark skin is used to prepare pre-scaffolds by freeze-drying. The poor stability of the structures and low mechanical properties require crosslinking of the structures. Under dense CO2 atmosphere, crosslinking of collagen pre-scaffolds is allowed for 16 h. Additionally, the hydrogels are foamed and the scaffolds obtained present a highly porous structure. In vitro cell culture tests performed with a chondrocyte-like cell line show good cell adherence and proliferation, which is a strong indication of the potential of these scaffolds to be used in tissue cartilage tissue engineering. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stable monolayer honeycomb-like structures of RuX2 (X =S,Se)

NASA Astrophysics Data System (ADS)

Ersan, Fatih; Cahangirov, Seymur; Gökoǧlu, Gökhan; Rubio, Angel; Aktürk, Ethem

2016-10-01

Recent studies show that several metal oxides and dichalcogenides (M X2) , which exist in nature, can be stable in two-dimensional (2D) form and each year several new M X2 structures are explored. The unstable structures in H (hexagonal) or T (octahedral) forms can be stabilized through Peierls distortion. In this paper, we propose new 2D forms of RuS2 and RuSe2 materials. We investigate in detail the stability, electronic, magnetic, optical, and thermodynamic properties of 2D Ru X2 (X =S,Se) structures from first principles. While their H and T structures are unstable, the distorted T structures (T'-Ru X2) are stable and have a nonmagnetic semiconducting ground state. The molecular dynamic simulations also confirm that T'-Ru X2 systems are stable even at 500 K without any structural deformation. T'-RuS2 and T'-RuSe2 have indirect band gaps with 0.745 eV (1.694 eV with HSE) and 0.798 eV (1.675 eV with HSE) gap values, respectively. We also examine their bilayer and trilayer forms and find direct and smaller band gaps. We find that AA stacking is more favorable than the AB configuration. The new 2D materials obtained can be good candidates with striking properties for applications in semiconductor electronic, optoelectronic devices, and sensor technology.

Dense and high-stability Ti2AlN MAX phase coatings prepared by the combined cathodic arc/sputter technique

NASA Astrophysics Data System (ADS)

Wang, Zhenyu; Liu, Jingzhou; Wang, Li; Li, Xiaowei; Ke, Peiling; Wang, Aiying

2017-02-01

Ti2AlN belongs to a family of ternary nano-laminate alloys known as the MAX phases, which exhibit a unique combination of metallic and ceramic properties. In the present work, the dense and high-stability Ti2AlN coating has been successfully prepared through the combined cathodic arc/sputter deposition, followed by heat post-treatment. It was found that the as-deposited Ti-Al-N coating behaved a multilayer structure, where (Ti, N)-rich layer and Al-rich layer grew alternately, with a mixed phase constitution of TiN and TiAlx. After annealing at 800 °C under vacuum condition for 1.5 h, although the multilayer structure still was found, part of multilayer interfaces became indistinct and disappeared. In particular, the thickness of the Al-rich layer decreased in contrast to that of as-deposited coating due to the inner diffusion of the Al element. Moreover, the Ti2AlN MAX phase emerged as the major phase in the annealed coatings and its formation mechanism was also discussed in this study. The vacuum thermal analysis indicated that the formed Ti2AlN MAX phase exhibited a high-stability, which was mainly benefited from the large thickness and the dense structure. This advanced technique based on the combined cathodic arc/sputter method could be extended to deposit other MAX phase coatings with tailored high performance like good thermal stability, high corrosion and oxidation resistance etc. for the next protective coating materials.

Mango core inner shell membrane template-directed synthesis of porous ZnO films and their application for enzymatic glucose biosensor

NASA Astrophysics Data System (ADS)

Zhou, Yu; Wang, Lei; Ye, Zhizhen; Zhao, Minggang; Cai, Hui; Huang, Jingyun

2013-11-01

Micro/nano-porous ZnO films were synthesized through a simple biotemplate-directed method using mango core inner shell membranes as templates. The achieved ZnO films with wrinkles on the surface are combined of large holes and small pores in the bulk. High specific surface area, numerous microspaces, and small channels for fluid circulation provided by this unique structure along with the good biocompatibility and electron communication features of ZnO material make the product an ideal platform for the immobilization of enzymes The fabricated glucose biosensor based on the porous ZnO films exhibits good selective detection ability of analyte with good stability, high sensitivity of 50.58 μA cm-2 mM-1 and a wide linear range of 0.2-5.6 mM along with a low detection limit of 10 μM.

Field emission properties of nano-structured cobalt ferrite (CoFe2O4) synthesized by low-temperature chemical method

NASA Astrophysics Data System (ADS)

Ansari, S. M.; Suryawanshi, S. R.; More, M. A.; Sen, Debasis; Kolekar, Y. D.; Ramana, C. V.

2018-06-01

We report on the field-emission properties of structure-morphology controlled nano-CoFe2O4 (CFO) synthesized via a simple and low-temperature chemical method. Structural analyses indicate that the spongy-CFO (approximately, 2.96 nm) is nano-structured, spherical, uniformly-distributed, cubic-structured and porous. Field emission studies reveal that CFO exhibit low turn-on field (4.27 V/μm) and high emission current-density (775 μA/cm2) at a lower applied electric field of 6.80 V/μm. In addition, extremely good emission current stability is obtained at a pre-set value of 1 μA and high emission spot-density over large area (2 × 2 cm2) suggesting the applicability of these materials for practical applications in vacuum micro-/nano-electronics.

Gold-film coating assisted femtosecond laser fabrication of large-area, uniform periodic surface structures.

PubMed

Feng, Pin; Jiang, Lan; Li, Xin; Rong, Wenlong; Zhang, Kaihu; Cao, Qiang

2015-02-20

A simple, repeatable approach is proposed to fabricate large-area, uniform periodic surface structures by a femtosecond laser. 20 nm gold films are coated on semiconductor surfaces on which large-area, uniform structures are fabricated. In the case study of silicon, cross-links and broken structures of laser induced periodic surface structures (LIPSSs) are significantly reduced on Au-coated silicon. The good consistency between the scanning lines facilitates the formation of large-area, uniform LIPSSs. The diffusion of hot electrons in the Au films increases the interfacial carrier densities, which significantly enhances interfacial electron-phonon coupling. High and uniform electron density suppresses the influence of defects on the silicon and further makes the coupling field more uniform and thus reduces the impact of laser energy fluctuations, which homogenizes and stabilizes large-area LIPSSs.

A simple large-scale synthesis of mesoporous In2O3 for gas sensing applications

NASA Astrophysics Data System (ADS)

Zhang, Su; Song, Peng; Yan, Huihui; Yang, Zhongxi; Wang, Qi

2016-08-01

In this paper, large-scale mesoporous In2O3 nanostructures were synthesized by a facile Lewis acid catalytic the furfural alcohol resin (FAR) template route for the high-yield. Their morphology and structure were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), differential thermal and thermogravimetry analysis (DSC-TG) and the Brunauer-Emmett-Teller (BET) approach. The as-obtained mesoporous In2O3 nanostructures possess excellent mesoporous and network structure, which increases the contact area with the gases, it is conducive for adsorption-desorption of gas on the surface of In2O3. The In2O3 particles and pores were both about 15 nm and very uniform. In gas-sensing measurements with target gases, the gas sensor based on mesoporous In2O3 nanostructures showed a good response, short response-recovery time, good selectivity and stability to ethanol. These properties are due to the large specific surface area of mesoporous structure. This synthetic method could use as a new design concept for functional mesoporous nanomaterials and for mass production.

Self-Substitution and the Temperature Effects on the Electrochemical Performance in the High Voltage Cathode System LiMn 1.5+xNi 0.5-xO 4 (x = 0.1)

DOE PAGES

Xu, Yun; Zhao, Mingyang; Khalid, Syed; ...

2017-05-09

The high voltage cathode material, LiMn 1.6Ni 0.4O 4, was prepared by a polymer-assisted method. The novelty of this paper is the substitution of Ni with Mn, which already exists in the crystal structure instead of other isovalent metal ion dopants which would result in capacity loss. The electrochemical performance testing including stability and rate capability was evaluated. The temperature was found to impose a change on the valence and structure of the cathode materials. Specifically, manganese tends to be reduced at a high temperature of 800 °C and leads to structural changes. The manganese substituted LiMn 1.5Ni 0.5O 4more » (LMN) has proved to be a good candidate material for Li-ion battery cathodes displaying good rate capability and capacity retention. Finally, the cathode materials processed at 550 °C showed a stable performance with negligible capacity loss for 400 cycles.« less

Polyacrylonitrile nanofiber as polar solvent N,N-dimethyl formamide sensor based on quartz crystal microbalance technique

NASA Astrophysics Data System (ADS)

Rianjanu, A.; Julian, T.; Hidayat, S. N.; Suyono, E. A.; Kusumaatmaja, A.; Triyana, K.

2018-04-01

Here, we describe an N,N-dimethyl formamide (DMF) vapour sensor fabricated by coating polyacrylonitrile (PAN) nanofiber structured on quartz crystal microbalance (QCM). The PAN nanofiber sensors with an average diameter of 225 nm to 310 nm were fabricated via electrospinning process with different mass deposition on QCM substrate. The nanostructured of PAN nanofiber offers a high specific surface area that improved the sensing performance of nanofiber sensors. Benefiting from that fine structure, and high polymer-solvent affinity between PAN and DMF, the development of DMF sensors presented good response at ambient temperature. Since there is no chemical reaction between PAN nanofiber and DMF vapour, weak physical interaction such absorption and swelling were responsible for the sensing behavior. The results are indicating that the response of PAN nanofiber sensors has more dependency on the nanofiber structure (specific surface area) rather than its mass deposition. The sensor also showed good stability after a few days sensing. These findings have significant implications for developing DMF vapour sensor based on QCM coated polymer nanofibers.

Structural Stability Monitoring of a Physical Model Test on an Underground Cavern Group during Deep Excavations Using FBG Sensors.

PubMed

Li, Yong; Wang, Hanpeng; Zhu, Weishen; Li, Shucai; Liu, Jian

2015-08-31

Fiber Bragg Grating (FBG) sensors are comprehensively recognized as a structural stability monitoring device for all kinds of geo-materials by either embedding into or bonding onto the structural entities. The physical model in geotechnical engineering, which could accurately simulate the construction processes and the effects on the stability of underground caverns on the basis of satisfying the similarity principles, is an actual physical entity. Using a physical model test of underground caverns in Shuangjiangkou Hydropower Station, FBG sensors were used to determine how to model the small displacements of some key monitoring points in the large-scale physical model during excavation. In the process of building the test specimen, it is most successful to embed FBG sensors in the physical model through making an opening and adding some quick-set silicon. The experimental results show that the FBG sensor has higher measuring accuracy than other conventional sensors like electrical resistance strain gages and extensometers. The experimental results are also in good agreement with the numerical simulation results. In conclusion, FBG sensors could effectively measure small displacements of monitoring points in the whole process of the physical model test. The experimental results reveal the deformation and failure characteristics of the surrounding rock mass and make some guidance for the in situ engineering construction.

Structural Stability Monitoring of a Physical Model Test on an Underground Cavern Group during Deep Excavations Using FBG Sensors

PubMed Central

Li, Yong; Wang, Hanpeng; Zhu, Weishen; Li, Shucai; Liu, Jian

2015-01-01

Fiber Bragg Grating (FBG) sensors are comprehensively recognized as a structural stability monitoring device for all kinds of geo-materials by either embedding into or bonding onto the structural entities. The physical model in geotechnical engineering, which could accurately simulate the construction processes and the effects on the stability of underground caverns on the basis of satisfying the similarity principles, is an actual physical entity. Using a physical model test of underground caverns in Shuangjiangkou Hydropower Station, FBG sensors were used to determine how to model the small displacements of some key monitoring points in the large-scale physical model during excavation. In the process of building the test specimen, it is most successful to embed FBG sensors in the physical model through making an opening and adding some quick-set silicon. The experimental results show that the FBG sensor has higher measuring accuracy than other conventional sensors like electrical resistance strain gages and extensometers. The experimental results are also in good agreement with the numerical simulation results. In conclusion, FBG sensors could effectively measure small displacements of monitoring points in the whole process of the physical model test. The experimental results reveal the deformation and failure characteristics of the surrounding rock mass and make some guidance for the in situ engineering construction. PMID:26404287

Psychometric properties and norms of the German ABC-Community and PAS-ADD Checklist.

PubMed

Zeilinger, Elisabeth L; Weber, Germain; Haveman, Meindert J

2011-01-01

The aim of the present study was to standardize and generate psychometric evidence of the German language versions of two well-established English language mental health instruments: the Aberrant Behavior Checklist-Community (ABC-C) and the Psychiatric Assessment Schedule for Adults with Developmental Disabilities (PAS-ADD) Checklist. New methods in this field were introduced: a simulation method for testing the factor structure and an exploration of long-term stability over two years. The checklists were both administered to a representative sample of 270 individuals with intellectual disability (ID) and, two years later in a second data collection, to 128 participants of the original sample. Principal component analysis and parallel analysis were performed. Reliability measures, long-term stability, subscale intercorrelations, as well as standardized norms were generated. Prevalence of mental health problems was examined. Psychometric properties were mostly excellent, with long-term stability showing moderate to strong effects. The original factor structure of the ABC-C was replicated. PAS-ADD Checklist produced a similar, but still different structure compared with findings from the English language area. The overall prevalence rate of mental health problems in the sample was about 20%. Considering the good results on the measured psychometric properties, the two checklists are recommended for the early detection of mental health problems in persons with ID. Copyright © 2011 Elsevier Ltd. All rights reserved.

Influence of growth conditions on exchange bias of NiMn-based spin valves

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

Wienecke, Anja; Kruppe, Rahel; Rissing, Lutz

2015-05-07

As shown in previous investigations, a correlation between a NiMn-based spin valve's thermal stability and its inherent exchange bias exists, even if the blocking temperature of the antiferromagnet is clearly above the heating temperature and the reason for thermal degradation is mainly diffusion and not the loss of exchange bias. Samples with high exchange bias are thermally more stable than samples with low exchange bias. Those structures promoting a high exchange bias are seemingly the same suppressing thermally induced diffusion processes (A. Wienecke and L. Rissing, “Relationship between thermal stability and layer-stack/structure of NiMn-based GMR systems,” in IEEE Transaction onmore » Magnetic Conference (EMSA 2014)). Many investigations were carried out on the influence of the sputtering parameters as well as the layer thickness on the magnetoresistive effect. The influence of these parameters on the exchange bias and the sample's thermal stability, respectively, was hardly taken into account. The investigation described here concentrates on the last named issue. The focus lies on the influence of the sputtering parameters and layer thickness of the “starting layers” in the stack and the layers forming the (synthetic) antiferromagnet. This paper includes a guideline for the evaluated sputtering conditions and layer thicknesses to realize a high exchange bias and presumably good thermal stability for NiMn-based spin valves with a synthetic antiferromagnet.« less

Influence of C-terminal tail deletion on structure and stability of hyperthermophile Sulfolobus tokodaii RNase HI.

PubMed

Chen, Lin; Zhang, Ji-Long; Zheng, Qing-Chuan; Chu, Wen-Ting; Xue, Qiao; Zhang, Hong-Xing; Sun, Chia-Chung

2013-06-01

The C-terminus tail (G144-T149) of the hyperthermophile Sulfolobus tokodaii (Sto-RNase HI) plays an important role in this protein's hyperstabilization and may therefore be a good protein stability tag. Detailed understanding of the structural and dynamic effects of C-terminus tail deletion is required for gaining insights into the thermal stability mechanism of Sto-RNase HI. Focused on Sulfolobus tokodaii RNase HI (Sto-RNase HI) and its derivative lacking the C-terminal tail (ΔC6 Sto-RNase HI) (PDB codes: 2EHG and 3ALY), we applied molecular dynamics (MD) simulations at four different temperatures (300, 375, 475, and 500 K) to examine the effect of the C-terminal tail on the hyperstabilization of Sto-RNase HI and to investigate the unfolding process of Sto-RNase HI and ΔC6 Sto-RNase HI. The simulations suggest that the C-terminal tail has significant impact in hyperstabilization of Sto-RNase HI and the unfolding of these two proteins evolves along dissimilar pathways. Essential dynamics analysis indicates that the essential subspaces of the two proteins at different temperatures are non-overlapping within the trajectories and they exhibit different directions of motion. Our work can give important information to understand the three-state folding mechanism of Sto-RNase HI and to offer alternative strategies to improve the protein stability.

Detection of stratosphere troposphere exchange in cut-off low systems

NASA Technical Reports Server (NTRS)

Price, Jeremy D.; Vaughan, Geraint

1994-01-01

The Aberystwyth MST radar has been used as part of the TOASTE program to study the structure of the tropopause in cut-off-low system with an aim to identifying regions where stratosphere-troposphere exchange are taking place. Theory predicts that the vertical gradient in reflected power is proportional to the static stability of the reflecting region, and should therefore resolve tropopause structure. Comparisons of MST power profiles with radiosonde data are presented and show good agreement, revealing regions of indefinite tropopauses, where stratosphere-troposphere exchange is thought to take place. The continuous nature of MST data allows an estimation of the size of these regions.

Structural, elastic and electronic properties of typical NdMgT4 (T = Co, Ni, Cu) alloys from ab initio calculation

NASA Astrophysics Data System (ADS)

Wang, Na; Zhang, Wei-bing; Tang, Bi-yu; Gao, Hai-Tao; He, En-jie; Wang, Lei

2018-07-01

The crystal structure, elastic and magnetic properties of important ternary Mg-based alloys NdMgT4 (T = Co, Ni, Cu) have been studied using reliable ab initio calculations. Both cohesive energy and charge density difference suggest that three alloys have good structural stability with the order: NdMgCo4 > NdMgNi4 > NdMgCu4. It shows that NdMgCo4 alloy has magnetic moments with the Co atoms being the main contribution, which is also in agreement with the calculated electronic structures. We find that NdMgT4 (T = Co, Ni, Cu) alloys are all ductile materials with bulk-to-shear modulus (B/G) values higher than 1.75. The trends of calculated values for the shear moduli Cs and C44 are consistent with that of shear modulus G and young's modulus E, proving that NdMgT4 (T = Co, Ni, Cu) alloys exhibit good plasticity with the trend: NdMgNi4 > NdMgCu4 > NdMgCo4. These calculated results give the basis guidance for the design of rare earth-magnesium-transition metal (R-Mg-T) alloys with improved mechanical properties.

Molecular modeling of the microstructure evolution during carbon fiber processing

NASA Astrophysics Data System (ADS)

Desai, Saaketh; Li, Chunyu; Shen, Tongtong; Strachan, Alejandro

2017-12-01

The rational design of carbon fibers with desired properties requires quantitative relationships between the processing conditions, microstructure, and resulting properties. We developed a molecular model that combines kinetic Monte Carlo and molecular dynamics techniques to predict the microstructure evolution during the processes of carbonization and graphitization of polyacrylonitrile (PAN)-based carbon fibers. The model accurately predicts the cross-sectional microstructure of the fibers with the molecular structure of the stabilized PAN fibers and physics-based chemical reaction rates as the only inputs. The resulting structures exhibit key features observed in electron microcopy studies such as curved graphitic sheets and hairpin structures. In addition, computed X-ray diffraction patterns are in good agreement with experiments. We predict the transverse moduli of the resulting fibers between 1 GPa and 5 GPa, in good agreement with experimental results for high modulus fibers and slightly lower than those of high-strength fibers. The transverse modulus is governed by sliding between graphitic sheets, and the relatively low value for the predicted microstructures can be attributed to their perfect longitudinal texture. Finally, the simulations provide insight into the relationships between chemical kinetics and the final microstructure; we observe that high reaction rates result in porous structures with lower moduli.

Functionalization of Graphene Oxide and its Composite with Poly(3,4-ethylenedioxythiophene) as Electrode Material for Supercapacitors

NASA Astrophysics Data System (ADS)

Wang, Minchao; Jamal, Ruxangul; Wang, Yujie; Yang, Lei; Liu, Fangfang; Abdiryim, Tursun

2015-09-01

In this study, poly(3,4-ethylenedioxythiophene)/thiophene-grafted graphene oxide (PEDOT/Th-GO) composites from covalently linking of Th-GO with PEDOT chains were prepared via in situ chemical polymerization with different weight percentage of Th-GO ranging between 40 and 70 % in reaction medium. The resulting composite materials were characterized using a various analytical techniques. The structural analysis showed that the composites displayed a higher degree of conjugation and thermal stability than pure PEDOT, and the weight percentage of Th-GO could affect the doping level, amount of undesired conjugated segments, and porous structure of composites. Electrochemical analysis suggested that the highest specific capacitance of 320 F g-1 at a current density of 1 A g-1 with good cycling stability (capacitance retention of 80 % at 1 A g-1 after 1000 cycles) was achieved for the composite prepared from 50 wt% Th-GO content in reaction medium.

Functionalization of Graphene Oxide and its Composite with Poly(3,4-ethylenedioxythiophene) as Electrode Material for Supercapacitors.

PubMed

Wang, Minchao; Jamal, Ruxangul; Wang, Yujie; Yang, Lei; Liu, Fangfang; Abdiryim, Tursun

2015-12-01

In this study, poly(3,4-ethylenedioxythiophene)/thiophene-grafted graphene oxide (PEDOT/Th-GO) composites from covalently linking of Th-GO with PEDOT chains were prepared via in situ chemical polymerization with different weight percentage of Th-GO ranging between 40 and 70 % in reaction medium. The resulting composite materials were characterized using a various analytical techniques. The structural analysis showed that the composites displayed a higher degree of conjugation and thermal stability than pure PEDOT, and the weight percentage of Th-GO could affect the doping level, amount of undesired conjugated segments, and porous structure of composites. Electrochemical analysis suggested that the highest specific capacitance of 320 F g(-1) at a current density of 1 A g(-1) with good cycling stability (capacitance retention of 80 % at 1 A g(-1) after 1000 cycles) was achieved for the composite prepared from 50 wt% Th-GO content in reaction medium.

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

Chen, Yan; Cai, Lu; An, Ke, E-mail: kean@ornl.gov

This letter reports the correlation of anisotropy and directional conduction in the fast Li{sup +} conductor β-Li{sub 3}PS{sub 4}, one of the low-symmetry crystalline electrolyte candidates. The material has both high conductivity and good stability that serves well for the large-scale energy storage applications of all-solid-state lithium ion batteries. The anisotropic physical properties, demonstrated here by the thermal expansion coefficients, are crucial for compatibility in the solid-state system and battery performance. Neutron and X-ray powder diffraction measurements were done to determine the crystal structure and thermal stability. The crystallographic b-axis was revealed as a fast expansion direction, while negligible thermalmore » expansion was observed along the a-axis around the battery operating temperatures. The anisotropic behavior has its structural origin from the Li{sup +} conduction channels with incomplete Li occupancy and a flexible connection of LiS{sub 4} and PS{sub 4} tetrahedra within the framework. This indicates a strong correlation in the direction of the ionic transport in the low-symmetry Li{sup +} conductor.« less

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

Chen, Yan; Cai, Lu; Liu, Zengcai

Our letter reports the correlation of anisotropy and directional conduction in the fast Li + conductor β-Li 3PS 4, one of the low-symmetry crystalline electrolyte candidates. The material has both high conductivity and good stability that serves well for the large-scale energy storage applications of all-solid-state lithium ion batteries. The anisotropic physical properties, demonstrated here by the thermal expansion coefficients, are crucial for compatibility in the solid-state system and battery performance. Neutron and X-ray powder diffraction measurements were done to determine the crystal structure and thermal stability. Moreover, the crystallographic b-axis was revealed as a fast expansion direction, while negligiblemore » thermal expansion was observed along the a-axis around the battery operating temperatures. The anisotropic behavior has its structural origin from the Li + conduction channels with incomplete Li occupancy and a flexible connection of LiS 4 and PS 4 tetrahedra within the framework. This indicates a strong correlation in the direction of the ionic transport in the low-symmetry Li + conductor.« less

Synthesis of CaO-CeO2 catalysts by soft template method for biodiesel production

NASA Astrophysics Data System (ADS)

Zheng, Y. C.; Yu, X. H.; Yang, J.

2017-06-01

Biodiesel has recently gained extensive attention. Catalysts play an important role in producing biodiesel by transesterification reaction. In this study, CaO-CeO2 catalysts are developed as the solid base catalyst. Using PDMS-PEO as a structure-directing agent, the prepared CaO-CeO2 catalysts have a three-dimensional interconnected porous structure, which benefits the transesterification reaction. While the added Ce slightly decreases the catalytic activity, the stability of the catalyst shows remarkable improvement. Considering the catalytic activity and stability, the best catalyst is determined to be catalyst 0.15-1073 (Ce/Ca molar ratio of 0.15 and calcination temperature of 1073 K). Under optimum reaction conditions, the biodiesel yield reaches to 97.5% and metal leaching is 117.7 ppm. For catalyst 0.15-1073 regenerated after four reaction cycles, the biodiesel yield is 94.1%. The results reveal that the CaO-CeO2 catalyst has good potential for application in large-scale biodiesel production in the future.

Rationally Designed Hierarchically Structured Tungsten Nitride and Nitrogen-Rich Graphene-Like Carbon Nanocomposite as Efficient Hydrogen Evolution Electrocatalyst.

PubMed

Zhu, Yanping; Chen, Gao; Zhong, Yijun; Zhou, Wei; Shao, Zongping

2018-02-01

Practical application of hydrogen production from water splitting relies strongly on the development of low-cost and high-performance electrocatalysts for hydrogen evolution reaction (HER). The previous researches mainly focused on transition metal nitrides as HER catalysts due to their electrical conductivity and corrosion stability under acidic electrolyte, while tungsten nitrides have reported poorer activity for HER. Here the activity of tungsten nitride is optimized through rational design of a tungsten nitride-carbon composite. More specifically, tungsten nitride (WN x ) coupled with nitrogen-rich porous graphene-like carbon is prepared through a low-cost ion-exchange/molten-salt strategy. Benefiting from the nanostructured WN x , the highly porous structure and rich nitrogen dopant (9.5 at%) of the carbon phase with high percentage of pyridinic-N (54.3%), and more importantly, their synergistic effect, the composite catalyst displays remarkably high catalytic activity while maintaining good stability. This work highlights a powerful way to design more efficient metal-carbon composites catalysts for HER.

In situ formed Si nanoparticle network with micron-sized Si particles for lithium-ion battery anodes.

PubMed

Wu, Mingyan; Sabisch, Julian E C; Song, Xiangyun; Minor, Andrew M; Battaglia, Vincent S; Liu, Gao

2013-01-01

To address the significant challenges associated with large volume change of micrometer-sized Si particles as high-capacity anode materials for lithium-ion batteries, we demonstrated a simple but effective strategy: using Si nanoparticles as a structural and conductive additive, with micrometer-sized Si as the main lithium-ion storage material. The Si nanoparticles connected into the network structure in situ during the charge process, to provide electronic connectivity and structure stability for the electrode. The resulting electrode showed a high specific capacity of 2500 mAh/g after 30 cycles with high initial Coulombic efficiency (73%) and good rate performance during electrochemical lithiation and delithiation: between 0.01 and 1 V vs Li/Li(+).

Novel Nanofiber-based Membrane Separators for Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Yanilmaz, Meltem

Lithium-ion batteries have been widely used in electronic devices including mobile phones, laptop computers, and cameras due to their high specific energy, high energy density, long cycling lifetime, and low self-discharge rate. Nowadays, lithium-ion batteries are finding new applications in electric/hybrid vehicles and energy storage for smart grids. To be used in these new applications, novel battery components are needed so that lithiumion batteries with higher cell performance, better safety, and lower cost can be developed. A separator is an important component to obtain safe batteries and its primary function is to prevent electronic contact between electrodes while regulating cell kinetics and ionic flow. Currently, microporous membranes are the most commonly used separator type and they have good mechanical properties and chemical stability. However, their wettability and thermal stabilities are not sufficient for applications that require high operating temperature and high performance. Due to the superior properties such as large specific surface area, small pore size and high porosity, electrospun nanofiber membranes can be good separator candidate for highperformance lithium-ion batteries. In this work, we focus our research on fabricating nanofiber-based membranes to design new high-performance separators with good thermal stability, as well as superior electrochemical performance compared to microporous polyolefin membranes. To combine the good mechanical strength of PP nonwovens with the excellent electrochemical properties of SiO2/polyvinylidene fluoride (PVDF) composite nanofibers, SiO 2/PVDF composite nanofiber-coated PP nonwoven membranes were prepared. It was found that the addition of SiO2 nanoparticles played an important role in improving the overall performance of these nanofiber-coated nonwoven membranes. Although ceramic/polymer composites can be prepared by encapsulating ceramic particles directly into polymer nanofibers, the performance of the resultant composite membranes is restricted because these nanoparticles are not exposed to liquid electrolytes and have limited effect on improving the cell performance. Hence, we introduced new nanoparticle-on-nanofiber hybrid membrane separators by combining electrospraying with electrospinning techniques. Electrochemical properties were enhanced due to the increased surface area caused by the unique hybrid structure of SiO2 nanoparticles and PVDF nanofibers. To design a high-performance separator with enhanced mechanical properties and good thermal stability, electrospun SiO2/nylon 6,6 nanofiber membranes were fabricated. It was found that SiO2/nylon 6,6 nanofiber membranes had superior thermal stability and mechanical strength. Electrospinning has serious drawbacks such as low spinning rate and high production cost. Centrifugal spinning is a fast, cost-effective and safe alternative to the electrospinning. SiO2/polyacrylonitrile (PAN) membranes were produced by using centrifugal spinning. Compared with commercial microporous polyolefin membranes, SiO2/PAN membranes had larger liquid electrolyte uptake, higher electrochemical oxidation limit, and lower interfacial resistance with lithium. SiO2/PAN membrane separators were assembled into lithium/lithium iron phosphate cells and these cells exhibited good cycling and C-rate performance.

Multiple scales in metapopulations of public goods producers

NASA Astrophysics Data System (ADS)

Bauer, Marianne; Frey, Erwin

2018-04-01

Multiple scales in metapopulations can give rise to paradoxical behavior: in a conceptual model for a public goods game, the species associated with a fitness cost due to the public good production can be stabilized in the well-mixed limit due to the mere existence of these scales. The scales in this model involve a length scale corresponding to separate patches, coupled by mobility, and separate time scales for reproduction and interaction with a local environment. Contrary to the well-mixed high mobility limit, we find that for low mobilities, the interaction rate progressively stabilizes this species due to stochastic effects, and that the formation of spatial patterns is not crucial for this stabilization.

Nano-crystalline porous tin oxide film for carbon monoxide sensing

NASA Technical Reports Server (NTRS)

Liu, Chung-Chiun (Inventor); Savinell, Robert F. (Inventor); Jin, Zhihong (Inventor)

2000-01-01

A tin oxide sol is deposited on platinum electrodes (12) of a sensor (10). The sol is calcined at a temperature of 500 to 800.degree. C. to produce a thin film of tin oxide with a thickness of about 150 nm to 2 .mu. and having a nano-crystalline structure with good stability. The sensor rapidly detects reducing gases, such as carbon monoxide, or hydrocarbons and organic vapors. Sensors using films calcined at around 700.degree. C. have high carbon monoxide selectivity with a response time of around 4 minutes and a recovery time of 1 minute, and therefore provide good detection systems for detection of trace amounts of pollutants such as toxic and flammable gases in homes, industrial settings, and hospitals.

The Work Preference Inventory: assessing intrinsic and extrinsic motivational orientations.

PubMed

Amabile, T M; Hill, K G; Hennessey, B A; Tighe, E M

1994-05-01

The Work Preference Inventory (WPI) is designed to assess individual differences in intrinsic and extrinsic motivational orientations. Both the college student and the working adult versions aim to capture the major elements of intrinsic motivation (self-determination, competence, task involvement, curiosity, enjoyment, and interest) and extrinsic motivation (concerns with competition, evaluation, recognition, money or other tangible incentives, and constraint by others). The instrument is scored on two primary scales, each subdivided into 2 secondary scales. The WPI has meaningful factor structures, adequate internal consistency, good short-term test-retest reliability, and good longer term stability. Moreover, WPI scores are related in meaningful ways to other questionnaire and behavioral measures of motivation, as well as personality characteristics, attitudes, and behaviors.

HIGH VOLTAGE ELECTRODES

DOEpatents

Murray, J.J.

1963-04-23

S>This patent relates to electrode structure for creating an intense direct current electric field which may have a field strength of the order of two to three times that heretofore obtained, with automatic suppression of arcing. The positive electrode is a conventional conductive material such as copper while the negative electrode is made from a special material having a resistivity greater than that of good conductors and less than that of good insulators. When an incipient arc occurs, the moderate resistivity of the negative electrode causes a momentary, localized decrease in the electric field intensity, thus suppressing the flow of electrons and avoiding arcing. Heated glass may be utilized for the negative electrode, since it provides the desired combination of resistivity, capacity, dielectric strength, mechani-cal strength, and thermal stability. (AEC)

One-pot green synthesis of carbon quantum dot for biological application

NASA Astrophysics Data System (ADS)

Asghar, Khushnuma; Qasim, Mohd; Das, D.

2017-05-01

A one-pot microwave assisted method for synthesizing carbon quantum dots (CQDs) from honey is presented in this paper. The structural, morphological and optical properties of synthesized CQDs were characterized by XRD, TEM, UV-Vis spectrophotometer, and Raman techniques. The average particle size of CQDs is found to be 2 to 7 nm. The main advantage of this work is the use of inexpensive, less toxic and environmental friendly precursors and synthesis procedure for CQDs. In addition to this, the particle size of prepared CQDs was found to be ultrafine with narrow size distribution. The as-prepared CQDs, with smaller particle size, good stability, good optical properties, water dispersibility and low toxicity, show promising potential for applications in biomedical field.

Preparation and characterizations of EGDE crosslinked chitosan electrospun membranes.

PubMed

Aqil, A; Tchemtchoua, V T; Colige, A; Atanasova, G; Poumay, Y; Jérôme, C

2015-01-01

Composite Crosslinked nanofibrous membranes of chitosan, ethylene glycol diglycidyl ether (EGDE) and polyethylene oxide was successfully prepared with bead free morphology via electrospinning technique followed by heat mediated chemical crosslinking. Architectural stability of nanofiber mat in aqueous medium was achieved by chemical crosslinking of only 1% EGDE, and tensile strength tests revealed that increasing EGDE content has considerably enhance the elastic modulus of nanofibers. The structure, morphology and mechanical properties of nanofibers were characterized by Attenuated Total Reflection-Fourier Transform Infrared spectroscopy (ATR-FTIR), scanning electron microscopy (SEM) and Instron machine, respectively. Skin fibroblasts and endothelial cells showed good attachment, proliferation and viability on crosslinked electrospun membranes. The results indicate a good biocompatibility and non-toxic nature of the resulted membrane.

A facile construction of Au nanoparticles stabilized by thermo-responsive polymer-tethered carbon dots for enhanced catalytic performance

NASA Astrophysics Data System (ADS)

Li, Li; Zhang, Tianyi; Lü, Jianhua; Lü, Changli

2018-10-01

Carbon dots (CDs), the youngest member in the carbon nanomaterial family, have drawn considerable attention due to their interesting optical, physicochemical and electronic properties as well as broad promising applications. Here, we developed a facile and effective strategy for the preparation of Au nanoparticles stabilized by thermo-responsive poly(N-isopropylacrylamide) (PNIPAM) functionalized carbon dots (Au@CD@P) under the gentle water media. The as-designed dopamine(DA)-terminated PNIPAM can be easily anchored to CDs via mussel-inspired chemistry route. Both CD@P and CDs could well stabilize the Au nanoparticles with interesting assembled structure. The as-prepared Au@CD and Au@CD@P nanohybrids with good dispersibility and stability exhibited the intriguing catalytic activity for reduction of p-nitrophenol (p-NP). Especially, Au@CD@P as catalyst also played a switching role in regulating the catalytic rate by temperature. In addition, Au@CD@P exhibited excellent recyclability which may have potential in green chemical industry for developing high-activity catalysts and easy production methods.

The Evolution of Ribosomal DNA: Divergent Paralogues and Phylogenetic Implications

PubMed Central

Buckler-IV, E. S.; Ippolito, A.; Holtsford, T. P.

1997-01-01

Although nuclear ribosomal DNA (rDNA) repeats evolve together through concerted evolution, some genomes contain a considerable diversity of paralogous rDNA. This diversity includes not only multiple functional loci but also putative pseudogenes and recombinants. We examined the occurrence of divergent paralogues and recombinants in Gossypium, Nicotiana, Tripsacum, Winteraceae, and Zea ribosomal internal transcribed spacer (ITS) sequences. Some of the divergent paralogues are probably rDNA pseudogenes, since they have low predicted secondary structure stability, high substitution rates, and many deamination-driven substitutions at methylation sites. Under standard PCR conditions, the low stability paralogues amplified well, while many high-stability paralogues amplified poorly. Under highly denaturing PCR conditions (i.e., with dimethylsulfoxide), both low- and high-stability paralogues amplified well. We also found recombination between divergent paralogues. For phylogenetics, divergent ribosomal paralogues can aid in reconstructing ancestral states and thus serve as good outgroups. Divergent paralogues can also provide companion rDNA phylogenies. However, phylogeneticists must discriminate among families of divergent paralogues and recombinants or suffer from muddled and inaccurate organismal phylogenies. PMID:9055091

Effect of whey protein isolate and β-cyclodextrin wall systems on stability of microencapsulated vanillin by spray-freeze drying method.

PubMed

Hundre, Swetank Y; Karthik, P; Anandharamakrishnan, C

2015-05-01

Vanillin flavour is highly volatile in nature and due to that application in food incorporation is limited; hence microencapsulation of vanillin is an ideal technique to increase its stability and functionality. In this study, vanillin was microencapsulated for the first time by non-thermal spray-freeze-drying (SFD) technique and its stability was compared with other conventional techniques such as spray drying (SD) and freeze-drying (FD). Different wall materials like β-cyclodextrin (β-cyd), whey protein isolate (WPI) and combinations of these wall materials (β-cyd + WPI) were used to encapsulate vanillin. SFD microencapsulated vanillin with WPI showed spherical shape with numerous fine pores on the surface, which in turn exhibited good rehydration ability. On the other hand, SD powder depicted spherical shape without pores and FD encapsulated powder yielded larger particle sizes with flaky structure. FTIR analysis confirmed that there was no interaction between vanillin and wall materials. Moreover, spray-freeze-dried vanillin + WPI sample exhibited better thermal stability than spray dried and freeze-dried microencapsulated samples. Copyright © 2014 Elsevier Ltd. All rights reserved.

Development of lamellar gel phase emulsion containing marigold oil (Calendula officinalis) as a potential modern wound dressing.

PubMed

Okuma, C H; Andrade, T A M; Caetano, G F; Finci, L I; Maciel, N R; Topan, J F; Cefali, L C; Polizello, A C M; Carlo, T; Rogerio, A P; Spadaro, A C C; Isaac, V L B; Frade, M A C; Rocha-Filho, P A

2015-04-25

Appropriate therapeutics for wound treatments can be achieved by studying the pathophysiology of tissue repair. Here we develop formulations of lamellar gel phase (LGP) emulsions containing marigold (Calendula officinalis) oil, evaluating their stability and activity on experimental wound healing in rats. LGP emulsions were developed and evaluated based on a phase ternary diagram to select the best LGP emulsion, having a good amount of anisotropic structure and stability. The selected LGP formulation was analyzed according to the intrinsic and accelerated physical stability at different temperatures. In addition, in vitro and in vivo studies were carried out on wound healing rats as a model. The LGP emulsion (15.0% marigold oil; 10.0% of blend surfactants and 75.0% of purified water [w/w/w]) demonstrated good stability and high viscosity, suggesting longer contact of the formulation with the wound. No cytotoxic activity (50-1000 μg/mL) was observed in marigold oil. In the wound healing rat model, the LGP (15 mg/mL) showed an increase in the leukocyte recruitment to the wound at least on days 2 and 7, but reduced leukocyte recruitment after 14 and 21 days, as compared to the control. Additionally, collagen production was reduced in the LGP emulsion on days 2 and 7 and further accelerated the process of re-epithelialization of the wound itself. The methodology utilized in the present study has produced a potentially useful formulation for a stable LGP emulsion-containing marigold, which was able to improve the wound healing process. Copyright © 2015 Elsevier B.V. All rights reserved.

Ultrafast and Stable CO2 Capture Using Alkali Metal Salt-Promoted MgO-CaCO3 Sorbents.

PubMed

Cui, Hongjie; Zhang, Qiming; Hu, Yuanwu; Peng, Chong; Fang, Xiangchen; Cheng, Zhenmin; Galvita, Vladimir V; Zhou, Zhiming

2018-06-20

As a potential candidate for precombustion CO 2 capture at intermediate temperatures (200-400 °C), MgO-based sorbents usually suffer from low kinetics and poor cyclic stability. Herein, a general and facile approach is proposed for the fabrication of high-performance MgO-based sorbents via incorporation of CaCO 3 into MgO followed by deposition of a mixed alkali metal salt (AMS). The AMS-promoted MgO-CaCO 3 sorbents are capable of adsorbing CO 2 at an ultrafast rate, high capacity, and good stability. The CO 2 uptake of sorbent can reach as high as above 0.5 g CO 2 g sorbent -1 after only 5 min of sorption at 350 °C, accounting for vast majority of the total uptake. In addition, the sorbents are very stable even under severe but more realistic conditions (desorption in CO 2 at 500 °C), where the CO 2 uptake of the best sorbent is stabilized at 0.58 g CO 2 g sorbent -1 in 20 consecutive cycles. The excellent CO 2 capture performance of the sorbent is mainly due to the promoting effect of molten AMS, the rapid formation of CaMg(CO 3 ) 2 , and the plate-like structure of sorbent. The exceptional ultrafast rate and the good stability of the AMS-promoted MgO-CaCO 3 sorbents promise high potential for practical applications, such as precombustion CO 2 capture from integrated gasification combined cycle plants and sorption-enhanced water gas shift process.

Stabilization of flow past a rounded cylinder

NASA Astrophysics Data System (ADS)

Samtaney, Ravi; Zhang, Wei

2016-11-01

We perform global linear stability analysis on low-Re flow past a rounded cylinder. The cylinder corners are rounded with a radius R, normalized as R+ = R / D where D is the cylinder diameter, and its effect on the flow stability characteristics is investigated. We compute the critical Reynolds number (Recr) for the onset of first instability, and quantify the perturbation growth rate for the super-critical flows. It is found that the flow can be stabilized by partially rounding the cylinder. Compared with the square and circular cylinders, the partially rounded cylinder has a higher Recr , attaining a maximum at around R+ = 0 . 30 , and the perturbation growth rate of the super-critical flows is reduced for Re <= 100 . We perform sensitivity analysis to explore the source of the stabilization. The growth rate sensitivity to base flow modification has two different spatial structures: the growth rate is sensitive to the wake backflow in a large region for square-like cylinders (R+ -> 0 . 00), while only the near-wake backflow is crucial for circular-like cylinders (R+ -> 0 . 50). The stability analysis results are also verified with those of the direct simulations and very good agreement is achieved. Supported by the KAUST Office of Competitive Research Funds under Award No. URF/1/1394-01. The supercomputer Shaheen at KAUST was utilized for the simulations.

Nanoscale growth twins in sputtered metal films

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

Misra, Amit; Anderoglu, Osman; Hoagland, Richard G

2008-01-01

We review recent studies on the mechanical properties of sputtered Cu and 330 stainless steel films with {l_brace}1 1 1{r_brace} nanoscale growth twins preferentially oriented perpendicular to growth direction. The mechanisms of formation of growth twins during sputtering and the deformation mechanisms that enable usually high strengths in nanotwinned structures are highlighted. Growth twins in sputtered films possess good thermal stability at elevated temperature, providing an approach to extend the application of high strength nanostructured metals to higher temperatures.

A light intensity monitoring method based on fiber Bragg grating sensing technology and BP neural network

NASA Astrophysics Data System (ADS)

Li, Lu-Ming; Zhu, Qian; Zhang, Zhi-Guo; Cai, Zhi-Min; Liao, Zhi-Jun; Hu, Zhen-Yan

2017-04-01

In this paper, a light intensity monitoring method based on FBG is proposed. The method establishes a light intensity monitoring model with cantilever beam structure and BP neural network algorithm, which is based on fiber grating sensing technology. The accuracy of the model can meet the requirements of engineering project and it can monitor light intensity in real time. The experimental results show that the method has good stability and high sensitivity.

Review of the frequency stabilization of TEA CO2 laser oscillators

NASA Technical Reports Server (NTRS)

Willetts, David V.

1987-01-01

Most applications of TEA CO2 lasers in heterodyne radar systems require that the transmitter has a high degree of frequency stability. This ensures good Doppler resolution and maximizes receiver sensitivity. However, the environment within the device is far from benign with fast acoustic and electrical transients being present. Consequently the phenomena which govern the frequency stability of pulsed lasers are quite different from those operative in their CW counterparts. This review concentrates on the mechanisms of chirping within the output pulse; pulse to pulse frequency drift may be eliminated by frequency measurement and correction on successive pulses. It emerges that good stability hinges on correct cavity design. The energy-dependent laser-induced frequency sweep falls dramatically as mode diameter is increased. Thus, it is necessary to construct resonators with good selectivity for single mode operation while having a large spot size.

Internal consistency and stability of the CANTAB neuropsychological test battery in children.

PubMed

Syväoja, Heidi J; Tammelin, Tuija H; Ahonen, Timo; Räsänen, Pekka; Tolvanen, Asko; Kankaanpää, Anna; Kantomaa, Marko T

2015-06-01

The Cambridge Neuropsychological Test Automated Battery (CANTAB) is a computer-assessed test battery widely use in different populations. The internal consistency and 1-year stability of CANTAB tests were examined in school-age children. Two hundred-thirty children (57% girls) from five schools in the Jyväskylä school district in Finland participated in the study in spring 2011. The children completed the following CANTAB tests: (a) visual memory (pattern recognition memory [PRM] and spatial recognition memory [SRM]), (b) executive function (spatial span [SSP], Stockings of Cambridge [SOC], and intra-extra dimensional set shift [IED]), and (c) attention (reaction time [RTI] and rapid visual information processing [RVP]). Seventy-four children participated in the follow-up measurements (64% girls) in spring 2012. Cronbach's alpha reliability coefficient was used to estimate the internal consistency of the nonhampering test, and structural equation models were applied to examine the stability of these tests. The reliability and the stability could not be determined for IED or SSP because of the nature of these tests. The internal consistency was acceptable only in the RTI task. The 1-year stability was moderate-to-good for the PRM, RTI, and RVP. The SSP and IED showed a moderate correlation between the two measurement points. The SRM and the SOC tasks were not reliable or stable measures in this study population. For research purposes, we recommend using structural equation modeling to improve reliability. The results suggest that the reliability and the stability of computer-based test batteries should be confirmed in the target population before using them for clinical or research purposes. (c) 2015 APA, all rights reserved).

2-(2-Hydroxyphenyl)imidazole-based four-coordinate organoboron compounds with efficient deep blue photoluminescence and electroluminescence.

PubMed

Zhang, Zhenyu; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue

2017-12-19

Two new four-coordinate organoboron compounds with 2-(2-hydroxyphenyl)imidazole derivatives as the chelating ligands have been synthesized. They possess high thermal stability and are able to form an amorphous glass state. Crystallographic analyses indicate that the differences in ligand structure cause the change of ππ stacking character. The CH 2 Cl 2 solutions and thin films of these compounds display bright blue emission, and these compounds have appropriate HOMO and LUMO energy levels for carrier injection in OLEDs. By utilizing the good thermal and luminescent properties, as well as the proper frontier orbital energy levels, bright non-doped OLEDs with a simple structure have been realized. Notably, these simple devices show deep blue electroluminescence with the Commission Internationale de l'Éclairage (CIE) coordinate of ca. (0.16, 0.08), which is close to the CIE coordinate of (0.14, 0.08) for standard blue defined by the National Television System Committee. In addition, one of the devices exhibits good performance, showing brightness, current efficiency, power efficiency and external quantum efficiency up to 2692 cd m -2 , 2.50 cd A -1 , 1.81 lm W -1 and 3.63%, respectively. This study not only provides good deep-blue emitting OLED materials that are rarely achieved by using four-coordinate organoboron compounds, but also allows a deeper understanding of the structure-property relationship of 2-(2-hydroxyphenyl)imidazole-based boron complexes, which benefits the further structural design of this type of material.

Testing the Visual Soil Assessment tool on Estonian farm fields

NASA Astrophysics Data System (ADS)

Reintam, Endla; Are, Mihkel; Selge, Are

2017-04-01

Soil quality estimation plays important role in decision making on farm as well on policy level. Sustaining the production ability and good health of the soil the chemical, physical and biological indicators should be taken into account. The system to use soil chemical parameters is usually quite well established in most European counties, including Estonia. However, measuring soil physical properties, such bulk density, porosity, penetration resistance, structural stability ect is time consuming, needs special tools and is highly weather dependent. In that reason these parameters are excluded from controllable quality parameters in policy in Estonia. Within the project "Interactive Soil Quality Assessment in Europe and China for Agricultural Productivity and Environmental Resilience" (iSQAPER) the visual soil assessment (VSA) tool was developed for easy detection of soil quality as well the different soil friendly agricultural management practices (AMP) were detected. The aim of current study was to test the VSA tool on Estonian farm fields under different management practices and compare the results with laboratory measurements. The main focus was set on soil physical parameters. Next to the VSA, the undisturbed soil samples were collected from the depth of 5-10 cm and 25-30 cm. The study revealed that results of a visually assessed soil physical parameters, such a soil structure, soil structural stability, soil porosity, presence of tillage pan, were confirmed by laboratory measurements in most cases. Soil water stable structure measurement on field (on 1 cm2 net in one 1 l box with 4-6 cm air dry clods for 5-10 min) underestimated very well structured soil on grassland and overestimated the structure aggregates stability of compacted soil. The slightly better soil quality was detected under no-tillage compared to ploughed soils. However, the ploughed soil got higher quality points compared with minimum tillage. The slurry application (organic manuring) had controversial impact - it increased the number of earthworms but decreased soil structural stability. Even the manuring with slurry increases organic matter amount in the soil, the compaction due to the use of heavy machinery during the application, especially on wet soil, reduces the positive effect of slurry.

[Stability of whole cell biocatalyst for biodiesel production from renewable oils].

PubMed

Sun, Ting; Du, Wei; Liu, Dehua; Li, Wei; Zeng, Jing; Dai, Lingmei

2009-09-01

Lipase-mediated biodiesel production becomes increasingly important because of mild reaction conditions, pollution free during the process and easy product separation. Compared with traditional immobilized lipase, whole cell biocatalyst is promising for biodiesel production because it is easy to prepare and has higher enzyme activity recovery. Rhizopus oryzae IFO4697 can be used as the catalyst for biodiesel production. To further study the stability of the whole cell biocatalyst is extremely important for its further application on large scale. This paper focuses on the stability study of Rhizopus oryzae IFO4697 when used for the methanolysis of renewable oils for biodiesel production. The results showed that water content was important for achieving high catalytic activity and good stability of the biocatalyst. The optimum water content was found to be 5%-15%. Both particle size and desiccation methods showed no obvious effect on the stability of the biocatalyst. With GA cross-linking pretreatment, the stability of the biocatalyst could be improved significantly. When Rhizopus oryzae IFO4697 repeatedly used for next batch reaction, direct vacuum filtration was found to be a good way for the maintenance of good stability of the biocatalyst. Under the optimum reaction conditions, the methyl ester yield could keep over 80% during 20 repeated reaction batches.

Self-assembled highly ordered ethane-bridged periodic mesoporous organosilica and its application in HPLC.

PubMed

Huang, Lili; Lu, Juan; Di, Bin; Feng, Fang; Su, Mengxiang; Yan, Fang

2011-09-01

Monodisperse spherical periodic mesoporous organosilicas (PMOs) with ethane integrated in the framework were synthesized and their application as stationary phase for chromatographic separation is demonstrated. The ethane-PMOs were prepared by condensation of 1,2-bis(triethoxysilyl)ethane (BTSE) in basic condition using octadecyltrimethylammonium chloride (C(18)TMACl) as template and ethanol as co-solvent. The morphology and mesoporous structure of ethane-PMOs were controlled under different concentrations of sodium hydroxide (NaOH) and EtOH. The results of scanning electron microscopy (SEM), transmission electron microscopy (TEM), powder X-ray diffraction (XRD), nitrogen sorption measurement, Fourier transform infrared spectroscopy (FT-IR) and elemental analysis showed that ethane-PMOs have spherical morphology, uniform particle distribution, highly ordered pore structure, high surface area and narrow pore-size distribution. The column packed with these materials exhibits good permeability, high chemical stability and good selectivity of mixtures of aromatic hydrocarbons in normal phase high-performance liquid chromatography (HPLC). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Facile growth of barium oxide nanorods: structural and optical properties.

PubMed

Ahmad, Naushad; Wahab, Rizwan; Alam, Manawwer

2014-07-01

This paper reports a large-scale synthesis of barium oxide nanorods (BaO-NRs) by simple solution method at a very low-temperature of - 60 degrees C. The as-grown BaO-NRs were characterized in terms of their morphological, structural, compositional, optical and thermal properties. The morphological characterizations of as-synthesized nanorods were done by scanning electron microscopy (SEM) which confirmed that the synthesized products are rod shaped and grown in high density. The nanorods exhibits smooth and clean surfaces throughout their lengths. The crystalline property of the material was analyzed with X-ray diffraction pattern (XRD). The compositional and thermal properties of synthesized nanorods were observed via Fourier transform infrared (FTIR) spectroscopy and thermogravimetric analysis which confirmed that the synthesized nanorods are pure BaO and showed good thermal stability. The nanorods exhibited good optical properties as was confirmed from the room-temperature UV-vis spectroscopy. Finally, a plausible mechanism for the formation of BaO-NRs is also discussed in this paper.

Growth and characterization of barium complex of 1,3,5-triazinane-2,4,6-trione in gel: a corrosion inhibiting material

NASA Astrophysics Data System (ADS)

Divya, R.; Nair, Lekshmi P.; Bijini, B. R.; Nair, C. M. K.; Babu, K. Rajendra

2018-05-01

Good quality prismatic crystals of industrially applicable corrosion inhibiting barium complex of 1,3,5-triazinane-2,4,6-trione have been grown by conventional gel method. The crystal structure, packing, and nature of bonds are revealed in the single crystal X-ray diffraction analysis. The crystal has a three-dimensional polymeric structure having a triclinic crystal system with the space group P-1. The powder X-ray diffraction analysis confirms its crystalline nature. The functional groups present in the crystal are identified by Fourier transform infrared spectroscopy. Elemental analysis confirms the stoichiometry of the elements present in the complex. Thermogravimetric analysis and differential thermal analysis reveal its good thermal stability. The optical properties like band gap, refractive index and extinction coefficient are evaluated from the UV-visible spectral analysis. The singular property of the material, corrosion inhibition efficiency achieved by the adsorption of the sample molecules is determined by the weight loss method.

Reconstruction of TiO2/MnO2-C nanotube/nanoflake core/shell arrays as high-performance supercapacitor electrodes

NASA Astrophysics Data System (ADS)

Xiong, Qinqin; Zheng, Cun; Chi, Hongzhong; Zhang, Jun; Ji, Zhenguo

2017-02-01

Construction of electrodes with fast reaction kinetics is of great importance for achieving advanced supercapacitors. Herein we report a facile combined synthetic strategy with atomic layer deposition (ALD) and electrodeposition to rationally fabricate nanotube/nanoflake core/shell arrays. ALD-TiO2 nanotubes are used as the skeleton core for assembly of electrodeposited MnO2-C nanoflake shells forming a core/shell structure. Highly porous architecture and good electrical conductivity are combined in this unique core/shell structure, resulting in fast ion/electron transfer. In tests of electrochemical performance, the TiO2/MnO2-C core/shell arrays are characterized as cathode for asymmetric supecapacitors and exhibit high specific capacitance (880 F g-1 at 2.5 A g-1), excellent rate properties (735 F g-1 at 30 A g-1) and good long-term cycling stability (94.3% capacitance retention after 20 000 cycles). The proposed electrode construction strategy is favorable for fabrication of other advanced supercapacitor electrodes.

Reconstruction of TiO2/MnO2-C nanotube/nanoflake core/shell arrays as high-performance supercapacitor electrodes.

PubMed

Xiong, Qinqin; Zheng, Cun; Chi, Hongzhong; Zhang, Jun; Ji, Zhenguo

2017-02-03

Construction of electrodes with fast reaction kinetics is of great importance for achieving advanced supercapacitors. Herein we report a facile combined synthetic strategy with atomic layer deposition (ALD) and electrodeposition to rationally fabricate nanotube/nanoflake core/shell arrays. ALD-TiO 2 nanotubes are used as the skeleton core for assembly of electrodeposited MnO 2 -C nanoflake shells forming a core/shell structure. Highly porous architecture and good electrical conductivity are combined in this unique core/shell structure, resulting in fast ion/electron transfer. In tests of electrochemical performance, the TiO 2 /MnO 2 -C core/shell arrays are characterized as cathode for asymmetric supecapacitors and exhibit high specific capacitance (880 F g -1 at 2.5 A g -1 ), excellent rate properties (735 F g -1 at 30 A g -1 ) and good long-term cycling stability (94.3% capacitance retention after 20 000 cycles). The proposed electrode construction strategy is favorable for fabrication of other advanced supercapacitor electrodes.

HIGH-k GATE DIELECTRIC: AMORPHOUS Ta/La2O3 FILMS GROWN ON Si AT LOW PRESSURE

NASA Astrophysics Data System (ADS)

Bahari, Ali; Khorshidi, Zahra

2014-09-01

In the present study, Ta/La2O3 films (La2O3 doped with Ta2O5) as a gate dielectric were prepared using a sol-gel method at low pressure. Ta/La2O3 film has some hopeful properties as a gate dielectric of logic device. The structure and morphology of Ta/La2O3 films were studied using X-ray diffraction (XRD), atomic force microscopy (AFM) and scanning electron microscopy (SEM). Electrical properties of films were performed using capacitance-voltage (C-V) and current density-voltage (J-V) measurements. The optical bandgap of samples was studied by UV-visible optical absorbance measurement. The optical bandgap, Eopt, is determined from the absorbance spectra. The obtained results show that Ta/La2O3 film as a good gate dielectric has amorphous structure, good thermal stability, high dielectric constant (≈ 25), low leakage current and wide bandgap (≈ 4.7 eV).

Antimalarial benzoheterocyclic 4-aminoquinolines: Structure-activity relationship, in vivo evaluation, mechanistic and bioactivation studies.

PubMed

Ongarora, Dennis S B; Strydom, Natasha; Wicht, Kathryn; Njoroge, Mathew; Wiesner, Lubbe; Egan, Timothy J; Wittlin, Sergio; Jurva, Ulrik; Masimirembwa, Collen M; Chibale, Kelly

2015-09-01

A novel class of benzoheterocyclic analogues of amodiaquine designed to avoid toxic reactive metabolite formation was synthesized and evaluated for antiplasmodial activity against K1 (multidrug resistant) and NF54 (sensitive) strains of the malaria parasite Plasmodium falciparum. Structure-activity relationship studies led to the identification of highly promising analogues, the most potent of which had IC50s in the nanomolar range against both strains. The compounds further demonstrated good in vitro microsomal metabolic stability while those subjected to in vivo pharmacokinetic studies had desirable pharmacokinetic profiles. In vivo antimalarial efficacy in Plasmodium berghei infected mice was evaluated for four compounds, all of which showed good activity following oral administration. In particular, compound 19 completely cured treated mice at a low multiple dose of 4×10mg/kg. Mechanistic and bioactivation studies suggest hemozoin formation inhibition and a low likelihood of forming quinone-imine reactive metabolites, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

The role of fixation and bone quality on the mechanical stability of tibial knee components.

PubMed

Lee, R W; Volz, R G; Sheridan, D C

1991-12-01

Tibial component loosening remains one of the major causes of failure of cemented and noncemented total knee arthroplasties. In this study, the authors identified the role of implant design, method of fixation, and bone density as it related to implant stability. The physical properties of "good" and "bad" bone were simulated using a "good" and "bad" foam model of the proximal tibia, fabricated in the laboratory from DARO RF-100 foam. A generic tibial component permitting various fixation designs was implanted into "good" and "bad" variable density foam tibial models in both cemented and noncemented modes. The mechanical stability of the implants was determined using a Materials Testing Machine by the application of an eccentrically applied cyclic load. The micromotion (subsidence and lift-off) of the tibial implants was recorded using two Linear Variable Differential Transformers. Statistically significant differences in implant stability were recorded as a function of fixation method. The most rigid implant fixation was achieved using four peripherally placed, 6.5-mm cancellous screws. The addition of a central stem added stability only in the case of "poor" quality foam. The mechanical stability of noncemented implants related directly to the density of the foam. Implant stability was greatly enhanced in "poor" quality foam by the use of cement. The method of implant fixation and bone density are critical determinants to tibial implant stability.

The Effects of Hydration on Protein of Azurin using Coarse-Grained Method and The Free-Energy Analysis

NASA Astrophysics Data System (ADS)

Fitrasari, Dian; Purqon, Acep

2017-07-01

Proteins play important roles in body metabolism. However, to reveal hydration effects, it is cost computing especially for all-atom calculation. Coarse-grained method is one of potential solution to reduce the calculation and computable in longer timescale. Furthermore, the protein of Azurin is interesting protein and potentially applicable to cancer medicine for the stability property reason. We investigate the effects of hydration on Azurin, the conformation and the stabilities. Furthermore, we analyze the free-energy of the conformation system to find the favorable structure using free energy perturbation (FEP) calculation. Our calculation results show that free energy value of azurin is -136.9 kJ/mol. It shows a good agreement with experimental results with relative error index remained at 0.07%.

Special methods for aerodynamic-moment calculations from parachute FSI modeling

NASA Astrophysics Data System (ADS)

Takizawa, Kenji; Tezduyar, Tayfun E.; Boswell, Cody; Tsutsui, Yuki; Montel, Kenneth

2015-06-01

The space-time fluid-structure interaction (STFSI) methods for 3D parachute modeling are now at a level where they can bring reliable, practical analysis to some of the most complex parachute systems, such as spacecraft parachutes. The methods include the Deforming-Spatial-Domain/Stabilized ST method as the core computational technology, and a good number of special FSI methods targeting parachutes. Evaluating the stability characteristics of a parachute based on how the aerodynamic moment varies as a function of the angle of attack is one of the practical analyses that reliable parachute FSI modeling can deliver. We describe the special FSI methods we developed for this specific purpose and present the aerodynamic-moment data obtained from FSI modeling of NASA Orion spacecraft parachutes and Japan Aerospace Exploration Agency (JAXA) subscale parachutes.

Stabilizing brokerage

PubMed Central

Stovel, Katherine; Golub, Benjamin; Milgrom, Eva M. Meyersson

2011-01-01

A variety of social and economic arrangements exist to facilitate the exchange of goods, services, and information over gaps in social structure. Each of these arrangements bears some relationship to the idea of brokerage, but this brokerage is rarely like the pure and formal economic intermediation seen in some modern markets. Indeed, for reasons illuminated by existing sociological and economic models, brokerage is a fragile relationship. In this paper, we review the causes of instability in brokerage and identify three social mechanisms that can stabilize fragile brokerage relationships: social isolation, broker capture, and organizational grafting. Each of these mechanisms rests on the emergence or existence of supporting institutions. We suggest that organizational grafting may be the most stable and effective resolution to the tensions inherent in brokerage, but it is also the most institutionally demanding. PMID:22198763

Transparent, flexible surface enhanced Raman scattering substrates based on Ag-coated structured PET (polyethylene terephthalate) for in-situ detection

NASA Astrophysics Data System (ADS)

Zuo, Zewen; Zhu, Kai; Gu, Chuan; Wen, Yibing; Cui, Guanglei; Qu, Jun

2016-08-01

Transparent, flexible surface-enhanced Raman scattering (SERS) substrates were fabricated by metalization of structured polyethylene terephthalate (PET) sheets. The resultant Ag-coated structured PET SERS substrates were revealed to be highly sensitive with good reproducibility and stability, an enhancement factor of 3 × 106 was acquired, which can be attributed mainly to the presence of plentiful multiple-type hot spots within the quasi-three-dimensional surface of the structured PET obtained by oxygen plasma etching. In addition, detections of model molecules on fruit skin were also carried out, demonstrating the great potential of the Ag-coated structured PET in in-situ detection of analyte on irregular objects. Importantly, the technique used for the preparation of such substrate is completely compatible with well-established silicon device technologies, and large-area fabrication with low cost can be readily realized.

High performance sandwich structured Si thin film anodes with LiPON coating

NASA Astrophysics Data System (ADS)

Luo, Xinyi; Lang, Jialiang; Lv, Shasha; Li, Zhengcao

2018-06-01

The sandwich structured silicon thin film anodes with lithium phosphorus oxynitride (LiPON) coating are synthesized via the radio frequency magnetron sputtering method, whereas the thicknesses of both layers are in the nanometer range, i.e. between 50 and 200 nm. In this sandwich structure, the separator simultaneously functions as a flexible substrate, while the LiPON layer is regarded as a protective layer. This sandwich structure combines the advantages of flexible substrate, which can help silicon release the compressive stress, and the LiPON coating, which can provide a stable artificial solid-electrolyte interphase (SEI) film on the electrode. As a result, the silicon anodes are protected well, and the cells exhibit high reversible capacity, excellent cycling stability and good rate capability. All the results demonstrate that this sandwich structure can be a promising option for high performance Si thin film lithium ion batteries.

High performance sandwich structured Si thin film anodes with LiPON coating

NASA Astrophysics Data System (ADS)

Luo, Xinyi; Lang, Jialiang; Lv, Shasha; Li, Zhengcao

2018-04-01

The sandwich structured silicon thin film anodes with lithium phosphorus oxynitride (LiPON) coating are synthesized via the radio frequency magnetron sputtering method, whereas the thicknesses of both layers are in the nanometer range, i.e. between 50 and 200 nm. In this sandwich structure, the separator simultaneously functions as a flexible substrate, while the LiPON layer is regarded as a protective layer. This sandwich structure combines the advantages of flexible substrate, which can help silicon release the compressive stress, and the LiPON coating, which can provide a stable artificial solidelectrolyte interphase (SEI) film on the electrode. As a result, the silicon anodes are protected well, and the cells exhibit high reversible capacity, excellent cycling stability and good rate capability. All the results demonstrate that this sandwich structure can be a promising option for high performance Si thin film lithium ion batteries.

Titanium Dioxide as a Catalyst Support in Heterogeneous Catalysis

PubMed Central

Bagheri, Samira; Muhd Julkapli, Nurhidayatullaili; Bee Abd Hamid, Sharifah

2014-01-01

The lack of stability is a challenge for most heterogeneous catalysts. During operations, the agglomeration of particles may block the active sites of the catalyst, which is believed to contribute to its instability. Recently, titanium oxide (TiO2) was introduced as an alternative support material for heterogeneous catalyst due to the effect of its high surface area stabilizing the catalysts in its mesoporous structure. TiO2 supported metal catalysts have attracted interest due to TiO2 nanoparticles high activity for various reduction and oxidation reactions at low pressures and temperatures. Furthermore, TiO2 was found to be a good metal oxide catalyst support due to the strong metal support interaction, chemical stability, and acid-base property. The aforementioned properties make heterogeneous TiO2 supported catalysts show a high potential in photocatalyst-related applications, electrodes for wet solar cells, synthesis of fine chemicals, and others. This review focuses on TiO2 as a support material for heterogeneous catalysts and its potential applications. PMID:25383380

A Novel Approach to Synthesize Micrometer-Sized Porous Silicon as a High Performance Anode for Lithium-Ion Batteries

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

Jia, Haiping; Zheng, Jianming; Song, Junhua

Porous structured silicon (p-Si) has been recognized as one of the most promising anodes for Li-ion batteries. However, many available methods to synthesize p-Si are difficult to scale up due to their high production cost. Here we introduce a new approach to obtain spherical micrometer-sized silicon with unique porous structure by using a microemulsion of the cost-effective of silica nanoparticles and magnesiothermic reduction method. The spherical micron-sized p-Si particles prepared by this approach consist of highly aligned nano-sized silicon and exhibit a tap density close to that of bulk Si particles. They have demonstrated significantly improved electrochemical stability compared tomore » nano-Si. Well controlled void space and a highly graphitic carbon coating on the p-Si particles enable good stability of the structure and low overall resistance, thus resulting in a Si-based anode with high capacity (~1467 mAh g –1 at 1 C), enhanced cycle life (370 cycles with 83% capacity retention), and high rate capability (~650 mAh g –1 at 5 C). Furthermore, this approach may also be generalized to prepare other hierarchical structured high capacity anode materials for constructing high energy density lithium ion batteries.« less

Preparation and characterization of cellulose-based foams via microwave curing

PubMed Central

Demitri, Christian; Giuri, Antonella; Raucci, Maria Grazia; Giugliano, Daniela; Madaghiele, Marta; Sannino, Alessandro; Ambrosio, Luigi

2014-01-01

In this work, a mixture of a sodium salt of carboxymethylcellulose (CMCNa) and polyethylene glycol diacrylate (PEGDA700) was used for the preparation of a microporous structure by using the combination of two different procedures. First, physical foaming was induced using Pluronic as a blowing agent, followed by a chemical stabilization. This second step was carried out by means of an azobis(2-methylpropionamidine)dihydrochloride as the thermoinitiator (TI). This reaction was activated by heating the sample homogeneously using a microwave generator. Finally, the influence of different CMCNa and PEGDA700 ratios on the final properties of the foams was investigated. The viscosity, water absorption capacity, elastic modulus and porous structure were evaluated for each sample. In addition, preliminary biological characterization was carried out with the aim to prove the biocompatibility of the resulting material. The foam, including 20% of PEGDA700 in the mixture, demonstrated higher viscosity and stability before thermo-polymerization. In addition, increased water absorption capacity, mechanical resistance and a more uniform microporous structure were obtained for this sample. In particular, foam with 3% of CMCNa shows a hierarchical structure with open pores of different sizes. This morphology increased the properties of the foams. The full set of samples demonstrated an excellent biocompatibility profile with a good cell proliferation rate of more than 7 days. PMID:24501679

A Novel Approach to Synthesize Micrometer-Sized Porous Silicon as a High Performance Anode for Lithium-Ion Batteries

DOE PAGES

Jia, Haiping; Zheng, Jianming; Song, Junhua; ...

2018-05-21

Porous structured silicon (p-Si) has been recognized as one of the most promising anodes for Li-ion batteries. However, many available methods to synthesize p-Si are difficult to scale up due to their high production cost. Here we introduce a new approach to obtain spherical micrometer-sized silicon with unique porous structure by using a microemulsion of the cost-effective of silica nanoparticles and magnesiothermic reduction method. The spherical micron-sized p-Si particles prepared by this approach consist of highly aligned nano-sized silicon and exhibit a tap density close to that of bulk Si particles. They have demonstrated significantly improved electrochemical stability compared tomore » nano-Si. Well controlled void space and a highly graphitic carbon coating on the p-Si particles enable good stability of the structure and low overall resistance, thus resulting in a Si-based anode with high capacity (~1467 mAh g –1 at 1 C), enhanced cycle life (370 cycles with 83% capacity retention), and high rate capability (~650 mAh g –1 at 5 C). Furthermore, this approach may also be generalized to prepare other hierarchical structured high capacity anode materials for constructing high energy density lithium ion batteries.« less

The effect of the averaged structural and energetic features on the cohesive energy of nanocrystals

NASA Astrophysics Data System (ADS)

Ali Safaei

2010-03-01

The size dependency of the cohesive energy of nanocrystals is obtained in terms of their averaged structural and energetic properties, which are in direct proportion with their cohesive energies. The significance of the effect of the geometrical shape of nanoparticles on their thermal stability has been discussed. The model has been found to have good prediction for the case of Cu and Al nanoparticles, with sizes in the ranges of 1-22 nm and 2-22 nm, respectively. Defining a new parameter, named as the surface-to-volume energy-contribution ratio, the relative thermal stabilities of different nanoclusters and their different surface-crystalline faces are discussed and compared to the molecular dynamic (MD) simulation results of copper nanoclusters. Finally, based on the size dependency of the cohesive energy, a formula for the size-dependent diffusion coefficient has been presented which includes the structural and energetic effects. Using this formula, the faster-than-expected interdiffusion/alloying of Au(core)-Ag(shell) nanoparticles with the core-shell structure, the Au-core diameter of 20 nm and the Ag-shell thickness of 2.91 nm, has been discussed and the calculated diffusion coefficient has been found to be consistent with its corresponding experimental value.

Optimization of rotor blades for combined structural, dynamic, and aerodynamic properties

NASA Technical Reports Server (NTRS)

He, Cheng-Jian; Peters, David A.

1990-01-01

Optimal helicopter blade design with computer-based mathematical programming has received more and more attention in recent years. Most of the research has focused on optimum dynamic characteristics of rotor blades to reduce vehicle vibration. There is also work on optimization of aerodynamic performance and on composite structural design. This research has greatly increased our understanding of helicopter optimum design in each of these aspects. Helicopter design is an inherently multidisciplinary process involving strong interactions among various disciplines which can appropriately include aerodynamics; dynamics, both flight dynamics and structural dynamics; aeroelasticity: vibrations and stability; and even acoustics. Therefore, the helicopter design process must satisfy manifold requirements related to the aforementioned diverse disciplines. In our present work, we attempt to combine several of these important effects in a unified manner. First, we design a blade with optimum aerodynamic performance by proper layout of blade planform and spanwise twist. Second, the blade is designed to have natural frequencies that are placed away from integer multiples of the rotor speed for a good dynamic characteristics. Third, the structure is made as light as possible with sufficient rotational inertia to allow for autorotational landing, with safe stress margins and flight fatigue life at each cross-section, and with aeroelastical stability and low vibrations. Finally, a unified optimization refines the solution.

A Facile Method to In-Situ Synthesize Porous Ni₂GeO₄ Nano-Sheets on Nickel Foam as Advanced Anode Electrodes for Li-Ion Batteries.

PubMed

Ma, Delong; Shi, Xiaomin; Hu, Anming

2016-11-19

A strategy for growth of porous Ni₂GeO₄ nanosheets on conductive nickel (Ni) foam with robust adhesion as a high-performance electrode for Li-ion batteries is proposed and realized, through a facile two-step method. It involves the low temperature hydro-thermal synthesis of bimetallic (Ni, Ge) hydroxide nanosheets precursor on Ni foam substrates and subsequent thermal transformation to porous Ni₂GeO₄ nanosheets. The as-prepared Ni₂GeO₄ nanosheets possess many interparticle mesopores with a size range from 5 to 15 nm. The hierarchical structure of porous Ni₂GeO₄ nanosheets supported by Ni foam promises fast electron and ion transport, large electroactive surface area, and excellent structural stability. The efficacy of the specially designed structure is demonstrated by the superior electrochemical performance of the generated Ni₂GeO₄ nanosheets including a high capacity of 1.8 mA·h·cm -2 at a current density of 50 μA·cm -2 , good cycle stability, and high power capability at room temperature. Because of simple conditions, this fabrication strategy may be easily extended to other mixed metal oxides (M x GeO y ).

A Water-/Fireproof Flexible Lithium-Oxygen Battery Achieved by Synergy of Novel Architecture and Multifunctional Separator.

PubMed

Yin, Yan-Bin; Yang, Xiao-Yang; Chang, Zhi-Wen; Zhu, Yun-Hai; Liu, Tong; Yan, Jun-Min; Jiang, Qing

2018-01-01

To meet the increasing demands for portable and flexible devices in a rapidly developing society, it is urgently required to develop highly safe and flexible electrochemical energy-storage systems. Flexible lithium-oxygen batteries with high theoretical specific energy density are promising candidates; however, the conventional half-open structure design prevents it from working properly under water or fire conditions. Herein, as a proof-of-concept experiment, a highly safe flexible lithium-oxygen battery achieved by the synergy of a vital multifunctional structure design and a unique composite separator is proposed and fabricated. The structure can effectively prevent the invasion of water from the environment and combustion, which is further significantly consolidated with the help of a polyimide and poly(vinylidene fluoride-co-hexafluoropropylene) composite separator, which holds good water resistance, thermal stability, and ionic conductivity. Unexpectedly, the obtained lithium-oxygen battery exhibits superior flexibility, water resistance, thermal resistance, and cycling stability (up to 218 cycles; at a high current of 1 mA and capacity of 4 mA h). This novel water/fireproof, flexible lithium-oxygen battery is a promising candidate to power underwater flexible electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced Thermal Properties of Novel Latent Heat Thermal Storage Material Through Confinement of Stearic Acid in Meso-Structured Onion-Like Silica

NASA Astrophysics Data System (ADS)

Gao, Junkai; Lv, Mengjiao; Lu, Jinshu; Chen, Yan; Zhang, Zijun; Zhang, Xiongjie; Zhu, Yingying

2017-12-01

Meso-structured onion-like silica (MOS), which had a highly ordered, onion-like multilayer; large surface area and pore volume; and highly curved mesopores, were synthesized as a support for stearic acid (SA) to develop a novel shape-stabilized phase change material (SA/MOS). The characterizations of SA/MOS were studied by the analysis technique of scanning electron microscope, infrared spectroscopy, x-ray diffraction, differential scanning calorimeter (DSC), and thermal gravimetry analysis (TGA). The results showed that the interaction between the SA and the MOS was physical adsorption and that the MOS had no effect on the crystal structure of the SA. The DSC results suggested that the melting and solidifying temperature of the SA/MOS were 72.7°C and 63.9°C with a melting latent heat of 108.0 J/g and a solidifying latent heat of 126.0 J/g, respectively, and the TGA results indicated that the SA/MOS had a good thermal stability. All of the results demonstrated that the SA/MOS was a promising thermal energy storage material candidate for practical applications.

An ab initio study of the electronic structure and relative stability of the halogenated thiophosphorus compounds SPX (X = Cl, F, Br) and their isomers

NASA Astrophysics Data System (ADS)

Nowek, Andrzej; Richardson, Rhonda; Babinec, Peter; Leszczyński, Jerzy

1997-12-01

The electronic structure and relative stability of the halogenated thiophosphorus compounds SPCl, SPF, and SPBr and their isomers ClSP, FSP, and BrSP were investigated using ab initio post-Hartree-Fock methods. Molecular geometries of all these structures together with the transition states between isomers, have been optimized at the SCF, MP2, and CCSD levels. Single-point CCSD(T) and MP4 calculations have been performed at the optimal CCSD and MP2 geometries. All calculations have been done using the standard 6-311G(2d) basis set. Harmonic vibrational frequencies and IR intensities for all species were calculated at the correlated levels, and they are in good agreement with the available data from matrix-isolated IR spectroscopy. Because the isomers ClSP, FSP, and BrSP have not yet been experimentally observed, we extended our study by calculating of equilibrium constants of isomerization using Eyring transition state theory, and we have found that at sufficiently high temperatures (≈ 1000 K) the equilibrium constants are large enough for the possible detection of these isomers.

Crystal structure, spectroscopic study, photoluminescent properties and DFT calculations of the 2-guanidinobenzimidazolium dichloride and dibromide monohydrate salts

NASA Astrophysics Data System (ADS)

Hassen, S.; Chebbi, H.; Zid, M. F.; Arfaoui, Y.

2018-09-01

Two organic salts compounds C8H13Cl2N5O(1) and C8H13Br2N5O(2) were prepared by slow evaporation at room temperature and characterized through single-crystal X-ray diffraction, photoluminescence, IR and UV-Vis diffuse reflectance spectroscopy (UV/DRS) from which the optical properties were determined. The asymmetric unit of (1) and (2) consists of a discrete guanidinobenzimidazolium, two halide anions X- (X = Cl, Br) and one crystallization water molecule. The crystal structures of the two title salts are stabilized by Nsbnd H … X, Osbnd H … X, Nsbnd H⋯O and Csbnd H … X hydrogen bonds. Moreover, the protonated 2-guanidobenzimidazole shows a π-π interaction adding extra stability to the three-dimensional architecture. The ground state geometries of the two compounds were optimized using density functional theory (DFT) at the 6-311+G(2d, 2p) level of theory. In order to study the excited states, time-depending density functional theory calculations were performed on the optimized structures at the same level of theory. The calculated electronic absorption and infrared spectra were in good agreement with the experimental ones.

Strategy for designing stable and powerful nitrogen-rich high-energy materials by introducing boron atoms.

PubMed

Wu, Wen-Jie; Chi, Wei-Jie; Li, Quan-Song; Li, Ze-Sheng

2017-06-01

One of the most important aims in the development of high-energy materials is to improve their stability and thus ensure that they are safe to manufacture and transport. In this work, we theoretically investigated open-chain N 4 B 2 isomers using density functional theory in order to find the best way of stabilizing nitrogen-rich molecules. The results show that the boron atoms in these isomers are aligned linearly with their neighboring atoms, which facilitates close packing in the crystals of these materials. Upon comparing the energies of nine N 4 B 2 isomers, we found that the structure with alternating N and B atoms had the lowest energy. Structures with more than one nitrogen atom between two boron atoms had higher energies. The energy of N 4 B 2 increases by about 50 kcal/mol each time it is rearranged to include an extra nitrogen atom between the two boron atoms. More importantly, our results also show that boron atoms stabilize nitrogen-rich molecules more efficiently than carbon atoms do. Also, the combustion of any isomer of N 4 B 2 releases more heat than the corresponding isomer of N 4 C 2 does under well-oxygenated conditions. Our study suggests that the three most stable N 4 B 2 isomers (BN13, BN24, and BN34) are good candidates for high-energy molecules, and it outlines a new strategy for designing stable boron-containing high-energy materials. Graphical abstract The structural characteristics, thermodynamic stabilities, and exothermic properties of nitrogen-rich N 4 B 2 isomers were investigated by means of density functional theory.

Predicting the potentials, solubilities and stabilities of metal-acetylacetonates for non-aqueous redox flow batteries using density functional theory calculations

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

Kucharyson, J. F.; Cheng, L.; Tung, S. O.

New active materials are needed to improve the performance and reduce the cost of non-aqueous redox flow batteries (RFBs) for grid-scale energy storage applications. Efforts to develop better performing materials, which have largely been empirical, would benefit from a better understanding of relationships between structural, electronic and RFB-relevant functional properties. This paper focuses on metal-acetylacetonates, a class of metal coordination complexes that has shown promise for use in RFBs, and describes correlations between their experimentally measured standard potentials, solubilities, and stabilities (cycle lifes), and selected chemical, structural and electronic properties determined from Density Functional Theory (DFT) calculations. The training setmore » consisted of 16 complexes including 5 different metals and 11 different substituents on the acetylacetonate ligand. Standard potentials for those compounds were calculated and are in good agreement with experimentally measured results. A predictive equation based on the solvation energies and dipole moments, two easily computed properties, reasonably modeled the experimentally determined solubilities. Importantly, we were able to identify a descriptor for the stability of acetylacetonates. The experimentally determined stability, quantified as the cycle life to a given degree of degradation, correlated with the percentage of the highest occupied (HOMO) or lowest unoccupied molecular orbital (LUMO) on the metal of the complex. This percentage is influenced by the degree of ligand innocence (irreducibility), and complexes with the most innocent ligands yielded the most stable redox reactions. To this end, VO(acetylacetonate)(2) and Fe(acetylacetonate)(3), with nearly 80% of the HOMO and LUMO on the metal, possessed the most stable oxidation and reduction half-reactions, respectively. The structure-function relationships and correlations presented in this paper could be used to predict new, highly soluble and stable complexes for RFB applications.« less

Development of a novel polystyrene/metal-organic framework-199 electrospun nanofiber adsorbent for thin film microextraction of aldehydes in human urine.

PubMed

Liu, Feilong; Xu, Hui

2017-01-01

In this work, electrospun polystyrene/metal-organic frameworks-199 (PS/MOF-199) nanofiber film was synthesized and investigated as a novel adsorbent for thin film microextraction (TFME) of aldehydes in human urine. Some properties of the prepared PS/MOF-199 nanofiber film, including morphology, structure, wettability, solvent stability and extraction performance were studied systematically. Porous fibrous structure, large surface area, good stability, strong hydrophobicity and excellent extraction efficiency were obtained for the film. Based on the PS/MOF-199 film, a thin film microextraction-high performance liquid chromatography (TFME-HPLC) method was developed, and the experimental parameters that affected the extraction and desorption were optimized. Under the optimal conditions, the limits of detection (LODs) were in the range of 4.2-17.3nmolL -1 for the analysis of six aldehydes. Good linearity was achieved with correlation coefficients (R 2 ) being lager than 0.9943. Satisfactory recovery (82-112%) and acceptable reproducibility (relative standard deviation: 2.1-13.3%) were also obtained for the method. The developed TFME-HPLC method has been successfully applied to the analysis of aldehyde metabolites in the urine samples of lung cancer patients and healthy people. The method possesses the advantages of simplicity, rapidity, cost-effective, sensitivity and non-invasion, it provides an alternative tool for the determination of aldehydes in complex sample matrices. Copyright © 2016 Elsevier B.V. All rights reserved.

One-step nucleotide-programmed growth of porous upconversion nanoparticles: application to cell labeling and drug delivery

NASA Astrophysics Data System (ADS)

Zhou, Li; Li, Zhenhua; Liu, Zhen; Yin, Meili; Ren, Jinsong; Qu, Xiaogang

2014-01-01

A simple and ``green'' strategy has been reported for the first time to fabricate upconversion nanoparticles (UCNPs) by utilizing nucleotides as bio-templates. The influence of the functionalities present on the nucleotide on the production of nanoparticles was investigated in detail. Through the effects of nucleotides, the obtained nanoparticles possessed a porous structure. The use of the as-prepared UCNPs for cell imaging, drug delivery and versatile therapy applications were demonstrated. In view of the bright up-conversion luminescence as well as the excellent biocompatibility, and the good colloidal stability of the as-prepared UCNPs, we envision that our synthesis protocol might advance both the fields of UCNPs and biomolecule-based nanotechnology for future studies.A simple and ``green'' strategy has been reported for the first time to fabricate upconversion nanoparticles (UCNPs) by utilizing nucleotides as bio-templates. The influence of the functionalities present on the nucleotide on the production of nanoparticles was investigated in detail. Through the effects of nucleotides, the obtained nanoparticles possessed a porous structure. The use of the as-prepared UCNPs for cell imaging, drug delivery and versatile therapy applications were demonstrated. In view of the bright up-conversion luminescence as well as the excellent biocompatibility, and the good colloidal stability of the as-prepared UCNPs, we envision that our synthesis protocol might advance both the fields of UCNPs and biomolecule-based nanotechnology for future studies. Electronic supplementary information (ESI) available: Supporting figures. See DOI: 10.1039/c3nr04255c

Simple single-emitting layer hybrid white organic light emitting with high color stability

NASA Astrophysics Data System (ADS)

Nguyen, C.; Lu, Z. H.

2017-10-01

Simultaneously achieving a high efficiency and color quality at luminance levels required for solid-state lighting has been difficult for white organic light emitting diodes (OLEDs). Single-emitting layer (SEL) white OLEDs, in particular, exhibit a significant tradeoff between efficiency and color stability. Furthermore, despite the simplicity of SEL white OLEDs being its main advantage, the reported device structures are often complicated by the use of multiple blocking layers. In this paper, we report a highly simplified three-layered white OLED that achieves a low turn-on voltage of 2.7 V, an external quantum efficiency of 18.9% and power efficiency of 30 lm/W at 1000 cd/cm2. This simple white OLED also shows good color quality with a color rendering index of 75, CIE coordinates (0.42, 0.46), and little color shifting at high luminance. The device consists of a SEL sandwiched between a hole transport layer and an electron transport layer. The SEL comprises a thermally activated delayer fluorescent molecule having dual functions as a blue emitter and as a host for other lower energy emitters. The improved color stability and efficiency in such a simple device structure is explained as due to the elimination of significant energy barriers at various organic-organic interfaces in the traditional devices having multiple blocking layers.

Probing insulin bioactivity in oral nanoparticles produced by ultrasonication-assisted emulsification/internal gelation

PubMed Central

Lopes, Marlene A; Abrahim-Vieira, Bárbara; Oliveira, Claudia; Fonte, Pedro; Souza, Alessandra M T; Lira, Tammy; Sequeira, Joana A D; Rodrigues, Carlos R; Cabral, Lúcio M; Sarmento, Bruno; Seiça, Raquel; Veiga, Francisco; Ribeiro, António J

2015-01-01

Alginate–dextran sulfate-based particles obtained by emulsification/internal gelation technology can be considered suitable carriers for oral insulin delivery. A rational study focused on the emulsification and particle recovery steps was developed in order to reduce particles to the nanosize range while keeping insulin bioactivity. There was a decrease in size when ultrasonication was used during emulsification, which was more pronounced when a cosurfactant was added. Ultrasonication add-on after particle recovery decreased aggregation and led to a narrower nanoscale particle-size distribution. Insulin encapsulation efficiency was 99.3%±0.5%, attributed to the strong pH-stabilizing electrostatic effect between insulin and nanoparticle matrix polymers. Interactions between these polymers and insulin were predicted using molecular modeling studies through quantum mechanics calculations that allowed for prediction of the interaction model. In vitro release studies indicated well-preserved integrity of nanoparticles in simulated gastric fluid. Circular dichroism spectroscopy proved conformational stability of insulin and Fourier transform infrared spectroscopy technique showed rearrangements of insulin structure during processing. Moreover, in vivo biological activity in diabetic rats revealed no statistical difference when compared to nonencapsulated insulin, demonstrating retention of insulin activity. Our results demonstrate that alginate–dextran sulfate-based nanoparticles efficiently stabilize the loaded protein structure, presenting good physical properties for oral delivery of insulin. PMID:26425087

Balancing stability and flexibility in adaptive governance: an ...

EPA Pesticide Factsheets

Adaptive governance must work “on the ground,” that is, it must operate through structures and procedures that the people it governs perceive to be legitimate and fair, as well as incorporating processes and substantive goals that are effective in allowing social-ecological systems (SESs) to adapt to climate change and other impacts. To address the continuing and accelerating alterations that climate change is bringing to SESs, adaptive governance generally will require more flexibility than prior governance institutions have often allowed. However, to function as good governance, adaptive governance must pay real attention to the problem of how to balance this increased need for flexibility with continuing governance stability so that it can foster adaptation to change without being perceived or experienced as perpetually destabilizing, disruptive, and unfair. Flexibility and stability serve different purposes in governance, and a variety of tools exist to strike different balances between them while still preserving the governance institution’s legitimacy among the people governed. After reviewing those purposes and the implications of climate change for environmental governance, we examine psychological insights into the structuring of adaptive governance and the variety of legal tools available to incorporate those insights into adaptive governance regimes. Because the substantive goals of governance systems will differ among specific systems, we do no

Towards the prediction of multiple necking during dynamic extension of round bar : linear stability approach versus finite element calculations

NASA Astrophysics Data System (ADS)

El Maï, S.; Mercier, S.; Petit, J.; Molinari, A.

2014-05-01

The fragmentation of structures subject to dynamic conditions is a matter of interest for civil industries as well as for Defence institutions. Dynamic expansions of structures, such as cylinders or rings, have been performed to obtain crucial information on fragment distributions. Many authors have proposed to capture by FEA the experimental distribution of fragment size by introducing in the FE model a perturbation. Stability and bifurcation analyses have also been proposed to describe the evolution of the perturbation growth rate. In the proposed contribution, the multiple necking of a round bar in dynamic tensile loading is analysed by the FE method. A perturbation on the initial flow stress is introduced in the numerical model to trigger instabilities. The onset time and the dominant mode of necking have been characterized precisely and showed power law evolutions, with the loading velocities and moderately with the amplitudes and the cell sizes of the perturbations. In the second part of the paper, the development of linear stability analysis and the use of salient criteria in terms of the growth rate of perturbations enabled comparisons with the numerical results. A good correlation in terms of onset time of instabilities and of number of necks is shown.

Etched poly(ether ether ketone) jacket stir bar with detachable dumbbell-shaped structure for stir bar sorptive extraction.

PubMed

Zhou, Wei; Wang, Chenlu; Wang, Xuemei; Chen, Zilin

2018-06-08

Development of stir bar sorptive extraction (SBSE) device with high stability and extraction efficiency is critical and challenging by date. In this work, etched poly(ether ether ketone) (PEEK) tube with high mechanical strength and large specific surface area was used as jacket for SBSE device. By etching with concentrated sulfuric acid, the smooth outer surface of PEEK become porous with plenty of micro holes, which was beneficial for coating of sorbents and significantly improved the extraction performance. After functionalized by bio-polydopamine method, strong hydrophobic p-naphtholbenzein molecular was immobilized onto the chemical resistant PEEK surface (PNB@E-PEEK) as stationary phase. We also firstly developed a simple detachable dumbbell-shaped structure for improving the workability of PEEK jacket stir bar. The dumbbell-shaped construction can eliminate the friction between stir bar and container, and the design of detachable structure make elution can be accomplished easier with small amount of organic solvent. It was interesting that the developed detachable dumbbell-shaped PNB@E-PEEK stir bar showed exceptional stability and extraction efficiency for SBSE enrichment of multiple analytes including several Sudan dyes, triazines, polycyclic aromatic hydrocarbons (PAHs), alkaloids and flavonoid. By coupling with high performance liquid chromatography-ultraviolet detection (HPLC-UV), PNB@E-PEEK stir bar based SBSE-HPLC-UV method was applied for the analysis of common Sudan dye pollutants. The method showed low limits of detection (0.02-0.03 ng/mL), good linearity (R 2  ≥ 0.9979) and good reproducibility (relative standard deviation ≤ 7.96%). It has been successfully applied to determine three dye pollutants in tap and lake water. Copyright © 2018 Elsevier B.V. All rights reserved.

Cd(II) complexes with different nuclearity and dimensionality based on 3-hydrazino-4-amino-1,2,4-triazole

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

Xu, Cai-Xia; Zhang, Jian-Guo, E-mail: zjgbit@bit.edu.cn; Yin, Xin

2015-03-15

A series of zero- to two-dimensional Cd(II) coordination compounds have been synthesized by the reaction of Cd(II) salts and 3-hydrazino-4-amino-1,2,4-triazole di-hydrochloride (HATr·2HCl). [CdCl{sub 2}(HATr){sub 2}] (1) and [Cd{sub 2}Cl{sub 4}(HATr){sub 2}(H{sub 2}O){sub 2}] (2) have discrete mononuclear and binuclear structures, respectively. [Cd(HATr){sub 2}(ClO{sub 4}){sub 2}]{sub n} (3) presents polymeric 1-D chain and [Cd{sub 2}(NO{sub 3}){sub 2}Cl{sub 2}(HATr){sub 2}]{sub n} (4) shows 2-D frameworks. All Cd(II) ions exhibit distorted octahedral configurations in 1–3, whilst both hexa and heptacoordinated Cd(II) are formed in 4. The HATr ligands adopt chelating coordinated mode in 1, while tri-dentate bridging–chelating mode in 2–4. The chloride ionmore » is a mono-coordinated ligand in 1 and 2, but it bridges two adjacent metal ions in 4. Furthermore, thermal behaviors have been investigated and the results reveal that all complexes have good thermal stability. The impact sensitivity test indicates that complex 3 is sensitive to impact stimuli. - Graphical abstract: Four Cd(II) complexes based on 3-hydrazino-4-amino-1,2,4-triazole ligands exhibit diverse structures from mononuclear to 2D networks. - Highlights: • Cd(II) complexes containing 3-hydrazino-4-amino-1,2,4-triazole ligands. • Mononuclear, binuclear, 1-D and 2-D structures. • Good thermal stability. • Thermal decomposition kinetics.« less

Electrodeposition of Manganese-Nickel Oxide Films on a Graphite Sheet for Electrochemical Capacitor Applications.

PubMed

Lee, Hae-Min; Lee, Kangtaek; Kim, Chang-Koo

2014-01-09

Manganese-nickel (Mn-Ni) oxide films were electrodeposited on a graphite sheet in a bath consisting of manganese acetate and nickel chloride, and the structural, morphological, and electrochemical properties of these films were investigated. The electrodeposited Mn-Ni oxide films had porous structures covered with nanofibers. The X-ray diffractometer pattern revealed the presence of separate manganese oxide (g-MnO₂) and nickel oxide (NiO) in the films. The electrodeposited Mn-Ni oxide electrode exhibited a specific capacitance of 424 F/g in Na₂SO₄ electrolyte. This electrode maintained 86% of its initial specific capacitance over 2000 cycles of the charge-discharge operation, showing good cycling stability.

Short-term stability of sleep and heart rate variability in good sleepers and patients with insomnia: for some measures, one night is enough.

PubMed

Israel, Benjamin; Buysse, Daniel J; Krafty, Robert T; Begley, Amy; Miewald, Jean; Hall, Martica

2012-09-01

Quantify the short-term stability of multiple indices of sleep and nocturnal physiology in good sleeper controls and primary insomnia patients. Intra-class correlation coefficients (ICC) were used to quantify the short-term stability of study outcomes. Sleep laboratory. Fifty-four adults with primary insomnia (PI) and 22 good sleeper controls (GSC). Visually scored sleep outcomes included indices of sleep duration, continuity, and architecture. Quantitative EEG outcomes included power in the delta, theta, alpha, sigma, and beta bands during NREM sleep. Power spectral analysis was used to estimate high-frequency heart rate variability (HRV) and the ratio of low- to high-frequency HRV power during NREM and REM sleep. With the exception of percent stage 3+4 sleep; visually scored sleep outcomes did not exhibit short-term stability across study nights. Most QEEG outcomes demonstrated short-term stability in both groups. Although power in the beta band was stable in the PI group (ICC = 0.75), it tended to be less stable in GSCs (ICC = 0.55). Both measures of cardiac autonomic tone exhibited short-term stability in GSCs and PIs during NREM and REM sleep. Most QEEG bandwidths and HRV during sleep show high short-term stability in good sleepers and patients with insomnia alike. One night of data is, thus, sufficient to derive reliable estimates of these outcomes in studies focused on group differences or correlates of QEEG and/or HRV. In contrast, one night of data is unlikely to generate reliable estimates of PSG-assessed sleep duration, continuity or architecture, with the exception of slow wave sleep.

Manifestly covariant classical correlation dynamics I. General theory

NASA Astrophysics Data System (ADS)

Lin, Shiru; Wang, Yanchao; Chen, Zhongfang

2018-06-01

By means of density functional theory (DFT) computations and particle-swarm optimization (PSO) structure searches, we herein predict five low-lying energy structures of two-dimensional (2D) aluminum monoxide (AlO) nanosheets. Their high cohesive energy, absence of imaginary phonon dispersion, and good thermal stability make them feasible targets for experimental realization. These monolayers exhibit diverse structural topologies, for instance, PmA- and Pmm-AlO possess buckled four- and six-membered AlO rings, whereas P62-, PmB-, and P6 m-AlO have pores of varied sizes. Interestingly, the most energetically preferred monolayers, PmA- and Pmm-AlO, feature wide band gaps (2.45 and 5.13 eV, respectively), which are promising for green and blue light-emitting devices (LEDs) and photodetectors.

First-principles investigation of structural, elastic, lattice dynamical and thermodynamic properties of lithium sulfur under pressure

NASA Astrophysics Data System (ADS)

Saib, S.; Bouarissa, N.

2017-10-01

In this study we report on the influence of hydrostatic pressure on structural, elastic, lattice dynamical and thermal properties of Li2S in the anti-fluorite structure using ab initio pseudopotential approach based on the density functional perturbation theory. Our results are found to be in good agreement with those existing in the literature. The present phonon dispersion spectra, dielectric constants and Born effective charges may be seen as the first investigation for the material under load. The pressure dependence of all features of interest has been examined and discussed. Besides, the temperature dependence of the lattice parameter and bulk modulus is predicted. The generalized elastic stability criteria showed that the material of interest is mechanically unstable for pressures beyond 55 GPa.

3D polypyrrole structures as a sensing material for glucose detection

NASA Astrophysics Data System (ADS)

Cysewska, Karolina; Szymańska, Magdalena; Jasiński, Piotr

2016-11-01

In this work, 3D polypyrrole (PPy) structures as material for glucose detection is proposed. Polypyrrole was electrochemically polymerized on platinum screen-printed electrode from an aqueous solution of lithium perchlorate and pyrrole. The growth mechanism of such PPy structures was studied by ex-situ scanning electron microscopy. Preliminary studies show that studied here PPy film is a good candidate as a sensing material for glucose biosensor. It exhibits very high sensitivity (28.5 mA·mM-1·cm-2) and can work without any additional dopants, mediators or enzymes. It was also shown that glucose detection depends on the PPy morphology. The same PPy material was immobilized with the glucose oxidase enzyme. Such material exhibited higher signal response, however it lost its stability very fast.

Cyclic public goods games: Compensated coexistence among mutual cheaters stabilized by optimized penalty taxation

NASA Astrophysics Data System (ADS)

Griffin, Christopher; Belmonte, Andrew

2017-05-01

We study the problem of stabilized coexistence in a three-species public goods game in which each species simultaneously contributes to one public good while freeloading off another public good ("cheating"). The proportional population growth is governed by an appropriately modified replicator equation, depending on the returns from the public goods and the cost. We show that the replicator dynamic has at most one interior unstable fixed point and that the population becomes dominated by a single species. We then show that by applying an externally imposed penalty, or "tax" on success can stabilize the interior fixed point, allowing for the symbiotic coexistence of all species. We show that the interior fixed point is the point of globally minimal total population growth in both the taxed and untaxed cases. We then formulate an optimal taxation problem and show that it admits a quasilinearization, resulting in novel necessary conditions for the optimal control. In particular, the optimal control problem governing the tax rate must solve a certain second-order ordinary differential equation.

Cyclic public goods games: Compensated coexistence among mutual cheaters stabilized by optimized penalty taxation.

PubMed

Griffin, Christopher; Belmonte, Andrew

2017-05-01

We study the problem of stabilized coexistence in a three-species public goods game in which each species simultaneously contributes to one public good while freeloading off another public good ("cheating"). The proportional population growth is governed by an appropriately modified replicator equation, depending on the returns from the public goods and the cost. We show that the replicator dynamic has at most one interior unstable fixed point and that the population becomes dominated by a single species. We then show that by applying an externally imposed penalty, or "tax" on success can stabilize the interior fixed point, allowing for the symbiotic coexistence of all species. We show that the interior fixed point is the point of globally minimal total population growth in both the taxed and untaxed cases. We then formulate an optimal taxation problem and show that it admits a quasilinearization, resulting in novel necessary conditions for the optimal control. In particular, the optimal control problem governing the tax rate must solve a certain second-order ordinary differential equation.

Education in Northern Ireland since the Good Friday Agreement: Kabuki Theatre Meets "Danse Macabre"

ERIC Educational Resources Information Center

Gardner, John

2016-01-01

The Good Friday Agreement (1998) between the UK and Irish governments, and most of the political parties in Northern Ireland, heralded a significant step forward in securing peace and stability for this troubled region of the British Isles. From the new-found stability, the previous fits and starts of education reform were replaced by a…

Low temperature regulated growth of PbS quantum dots by wet chemical method

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

Kumar, Hitanshu, E-mail: hitanshuminhas@gmail.com; Barman, P. B.; Singh, Ragini Raj

2015-08-28

Narrow size distribution with regulated synthesis of lead sulfide (PbS) quantum dots (QDs) was achieved through wet chemical method. Different concentrations of 2-mercaptoethanol (capping agent) were used for tailoring the QDs size. Transmission electron microscopy and X-ray diffraction studies revealed that the QDs have mean diameters between 6 to 15 nm. The optical absorption spectra were compared to the predictions of a theoretical model for the electronic structure. The theory agrees well with experiment for QDs larger than 7 nm, but for smaller dots there is some deviation from the theoretical predictions. Consequently, the produced particles are having monodispersity, good water solubility,more » stability and may be good arguments to be biologically compatible due to the use of 2-mercaptoethanol.« less

Porous Carbon-Hosted Atomically Dispersed Iron-Nitrogen Moiety as Enhanced Electrocatalysts for Oxygen Reduction Reaction in a Wide Range of pH

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

Fu, Shaofang; Zhu, Chengzhou; Su, Dong

As one of the alternatives to replace precious metal catalysts, transition metal-nitrogen-carbon (M-N-C) electrocatalysts have attracted great research interest due to their low cost and good catalytic activities. Despite nanostructured M-N-C catalysts can achieve good electrochemical performances, they are vulnerable to aggregation and insufficient catalytic sites upon continuous catalytic reaction. Thus, M-N-C’s stability and selectivity have not been comparable to their noble metal counterparts. In this work, metal-organic frameworks (MOFs)-derived porous single-atom electrocatalysts (SAEs) were successfully prepared by simple pyrolysis procedure without any further post-treatment. Combining the X-ray absorption near-edge spectroscopy (XANES) and electrochemical measurements, the SAEs have been identifiedmore » with superior ORR activity and stability compared with Pt/C catalysts in alkaline condition. More impressively, the SAEs also show excellent ORR electrocatalytic performance in both acid and neutral media. Furthermore, this study of nonprecious catalysts provides new insights on nano-engineering catalytically active sites and porous structures for nonprecious metal ORR catalysis in a wide range of pH.« less

Porous Carbon-Hosted Atomically Dispersed Iron-Nitrogen Moiety as Enhanced Electrocatalysts for Oxygen Reduction Reaction in a Wide Range of pH

DOE PAGES

Fu, Shaofang; Zhu, Chengzhou; Su, Dong; ...

2018-02-12

As one of the alternatives to replace precious metal catalysts, transition metal-nitrogen-carbon (M-N-C) electrocatalysts have attracted great research interest due to their low cost and good catalytic activities. Despite nanostructured M-N-C catalysts can achieve good electrochemical performances, they are vulnerable to aggregation and insufficient catalytic sites upon continuous catalytic reaction. Thus, M-N-C’s stability and selectivity have not been comparable to their noble metal counterparts. In this work, metal-organic frameworks (MOFs)-derived porous single-atom electrocatalysts (SAEs) were successfully prepared by simple pyrolysis procedure without any further post-treatment. Combining the X-ray absorption near-edge spectroscopy (XANES) and electrochemical measurements, the SAEs have been identifiedmore » with superior ORR activity and stability compared with Pt/C catalysts in alkaline condition. More impressively, the SAEs also show excellent ORR electrocatalytic performance in both acid and neutral media. Furthermore, this study of nonprecious catalysts provides new insights on nano-engineering catalytically active sites and porous structures for nonprecious metal ORR catalysis in a wide range of pH.« less

Hierarchically mesostructured porous TiO2 hollow nanofibers for high performance glucose biosensing.

PubMed

Guo, Qiaohui; Liu, Lijuan; Zhang, Man; Hou, Haoqing; Song, Yonghai; Wang, Huadong; Zhong, Baoying; Wang, Li

2017-06-15

Effective immobilization of enzymes on an electrode surface is of great importance for biosensor development, but it still remains challenging because enzymes tend to denaturation and/or form close-packed structures. In this work, a free-standing TiO 2 hollow nanofibers (HNF-TiO 2 ) was successfully prepared by a simple and scalable electrospun nanofiber film template-assisted sol-gel method, and was further explored for glucose oxidase (GOD) immobilization and biosensing. This porous and nanotubular HNF-TiO 2 provides a well-defined hierarchical nanostructure for GOD loading, and the fine TiO 2 nanocrystals facilitate direct electron transfer from GOD to the electrode, also the strong interaction between GOD and HNF-TiO 2 greatly enhances the stability of the biosensor. The as-prepared glucose biosensors show good sensing performances both in O 2 -free and O 2 -containing conditions with good sensitivity, satisfactory selectivity, long-term stability and sound reliability. The novel textile formation, porous and hierarchically mesostructured nature of HNF-TiO 2 with excellent analytical performances make it a superior platform for the construction of high-performance glucose biosensors. Copyright © 2016 Elsevier B.V. All rights reserved.

Direct electrochemistry of glucose oxidase and biosensing for glucose based on carbon nanotubes@SnO(2)-Au composite.

PubMed

Li, Fenghua; Song, Jixia; Li, Fei; Wang, Xiaodan; Zhang, Qixian; Han, Dongxue; Ivaska, Ari; Niu, Li

2009-12-15

Multiwalled carbon nanotubes@SnO(2)-Au (MWCNTs@SnO(2)-Au) composite was synthesized by a chemical route. The structure and composition of the MWCNTs@SnO(2)-Au composite were confirmed by means of transmission electron microscopy, X-ray photoelectron and Raman spectroscopy. Due to the good electrocatalytic property of MWCNTs@SnO(2)-Au composite, a glucose biosensor was constructed by absorbing glucose oxidase (GOD) on the hybrid material. A direct electron transfer process is observed at the MWCNTs@SnO(2)-Au/GOD-modified glassy carbon electrode. The glucose biosensor has a linear range from 4.0 to 24.0mM, which is suitable for glucose determination by real samples. It should be worthwhile noting that, from 4.0 to 12.0mM, the cathodic peak currents of the biosensor decrease linearly with increasing the glucose concentrations in human blood. Meanwhile, the resulting biosensor can also prevent the effects of interfering species. Moreover, the biosensor exhibits satisfying reproducibility, good operational stability and storage stability. Therefore, the MWCNTs@SnO(2)-Au/GOD biocomposite could be promisingly applied to determine blood sugar concentration in the practical clinical analysis.

Preparation and electrochemical characterization of gel polymer electrolyte based on electrospun polyacrylonitrile nonwoven membranes for lithium batteries

NASA Astrophysics Data System (ADS)

Raghavan, Prasanth; Manuel, James; Zhao, Xiaohui; Kim, Dul-Sun; Ahn, Jou-Hyeon; Nah, Changwoon

Electrospun membranes of polyacrylonitrile are prepared, and the electrospinning parameters are optimized to get fibrous membranes with uniform bead-free morphology. The polymer solution of 16 wt.% in N, N-dimethylformamide at an applied voltage of 20 kV results in the nanofibrous membrane with average fiber diameter of 350 nm and narrow fiber diameter distribution. Gel polymer electrolytes are prepared by activating the nonwoven membranes with different liquid electrolytes. The nanometer level fiber diameter and fully interconnected pore structure of the host polymer membranes facilitate easy penetration of the liquid electrolyte. The gel polymer electrolytes show high electrolyte uptake (>390%) and high ionic conductivity (>2 × 10 -3 S cm -1). The cell fabricated with the gel polymer electrolytes shows good interfacial stability and oxidation stability >4.7 V. Prototype coin cells with gel polymer electrolytes based on a membrane activated with 1 M LiPF 6 in ethylene carbonate/dimethyl carbonate or propylene carbonate are evaluated for discharge capacity and cycle property in Li/LiFePO 4 cells at room temperature. The cells show remarkably good cycle performance with high initial discharge properties and low capacity fade under continuous cycling.

Room temperature synthesis of a Zn(II) metal-organic coordination polymer for dye removal

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

Abbasi, Alireza, E-mail: aabbasi@khayam.ut.ac.ir; Gharib, Maniya; Najafi, Mahnaz

2016-03-15

A new one-dimensional (1D) coordination polymer, [Zn(4,4′-bpy)(H{sub 2}O){sub 4}](ADC)·4H{sub 2}O (1) (4,4′-bpy=4,4′-bipyridine and H{sub 2}ADC=acetylenedicarboxylic acid), was synthesized at room temperature. The crystal structure of the coordination polymer was determined by single-crystal X-ray diffraction analysis. Compound 1 was also characterized by FT-IR, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The catalytic activity of 1 was evaluated in the color removal of Bismarck brown as a representative of dye pollutant in water under mild conditions. Coordination polymer 1 exhibited good catalytic activity and stability in the decolorization of Bismarck brown and could be easily recovered and reused for at leastmore » three cycles. - Graphical abstract: A new 1D coordination polymer as catalyst for the degradation of Bismarck brown aqueous solution. - Highlights: • A 1D coordination polymer has been synthesized at room temperature. • The prepared compound was utilized for color removal of Bismarck brown dye. • Good catalytic activity and stability in the dye decolorization has been found.« less

Synthesis, Structure, and Selective Gas Adsorption of a Single-Crystalline Zirconium Based Microporous Metal–Organic Framework

DOE PAGES

Wang, Hao; Wang, Qining; Teat, Simon J.; ...

2017-02-15

Porous metal-organic framework (MOF) materials with high thermal and water stability are desirable for various adsorption based applications. Early transition metal based MOFs such as those built on zirconium metal have been well recognized for their excellent stability toward heat and/or moisture. However, the difficulty growing large single crystals makes their structural characterization challenging. Herein we report a porous Zr-MOF, [Zr 6O 4(OH) 4(cca) 6] (Zr-cca), which is assembled from zirconium and 4-carboxycinnamic acid (H 2cca) under solvothermal conditions. Single crystal X-ray diffraction analysis reveals that the structure of Zr-cca is isoreticular to the prototype zirconium based MOF, UiO-66. Zr-ccamore » shows permanent porosity upon removal of solvent molecules initially residing inside the pores, with a BET surface area of 1178 m 2/g. As expected, it exhibits good thermal stability (stable up to 400 °C) and high resistance to acidity over a wide pH range. Evaluation of its gas adsorption performance on various hydrocarbons and fluorocarbons indicates that it preferentially adsorbs C 3 and C 4 hydrocarbons over C 2 analogues. At 30°C Zr-cca takes up more than 50 wt % of perfluorohexane and the adsorption-desorption process is fully recyclable. We have compared this material with UiO-66 and studied the underlying reasons for the difference in their adsorption performance toward perfluorohexane.« less

Effect of Ni content on the morphological evolution of Ni-YSZ solid oxide fuel cell electrodes

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

Chen-Wiegart, Yu-chen Karen; Kennouche, David; Scott Cronin, J.

2016-02-22

The coarsening of Ni in Ni–yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors.more » Here, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. The finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.« less

Effect of Ni content on the morphological evolution of Ni-YSZ solid oxide fuel cell electrodes

NASA Astrophysics Data System (ADS)

Chen-Wiegart, Yu-chen Karen; Kennouche, David; Scott Cronin, J.; Barnett, Scott A.; Wang, Jun

2016-02-01

The coarsening of Ni in Ni-yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors. Here, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. The finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.

Mass Spectrometry Based Identification of Geometric Isomers during Metabolic Stability Study of a New Cytotoxic Sulfonamide Derivatives Supported by Quantitative Structure-Retention Relationships

PubMed Central

Belka, Mariusz; Hewelt-Belka, Weronika; Sławiński, Jarosław; Bączek, Tomasz

2014-01-01

A set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships were applied. Human liver microsomes were used as an in vitro model of metabolism. The biotransformation reactions were tracked by liquid chromatography assay and additionally, fragmentation mass spectra were recorded. In silico molecular modeling at a semi-empirical level was conducted as a starting point for molecular descriptor calculations. A quantitative structure-retention relationship model was built applying multiple linear regression based on selected three-dimensional descriptors. The studied compounds revealed high metabolic stability, with a tendency to form hydroxylated biotransformation products. However, significant chemical instability in conditions simulating human body fluids was noticed. According to literature and MS data geometrical isomerization was suggested. The developed in sillico model was able to describe the relationship between the geometry of isomer pairs and their chromatographic retention properties, thus it supported the hypothesis that the observed pairs of peaks are most likely geometric isomers. However, extensive structural investigations are needed to fully identify isomers’ geometry. An effort to describe MS fragmentation pathways of novel chemical structures is often not enough to propose structures of potent metabolites and products of other chemical reactions that can be observed in compound solutions at early drug discovery studies. The results indicate that the relatively non-expensive and not time- and labor-consuming in sillico approach could be a good supportive tool assisting the identification of cis-trans isomers based on retention data. This methodology can be helpful during the structural identification of biotransformation and degradation products of new chemical entities - potential new drugs. PMID:24893169

Why Is There a Glass Ceiling for Threading Based Protein Structure Prediction Methods?

PubMed

Skolnick, Jeffrey; Zhou, Hongyi

2017-04-20

Despite their different implementations, comparison of the best threading approaches to the prediction of evolutionary distant protein structures reveals that they tend to succeed or fail on the same protein targets. This is true despite the fact that the structural template library has good templates for all cases. Thus, a key question is why are certain protein structures threadable while others are not. Comparison with threading results on a set of artificial sequences selected for stability further argues that the failure of threading is due to the nature of the protein structures themselves. Using a new contact map based alignment algorithm, we demonstrate that certain folds are highly degenerate in that they can have very similar coarse grained fractions of native contacts aligned and yet differ significantly from the native structure. For threadable proteins, this is not the case. Thus, contemporary threading approaches appear to have reached a plateau, and new approaches to structure prediction are required.

Hydrodynamic and Aerodynamic Characteristics of a Model of a Supersonic Multijet Water-Based Aircraft Equipped with Supercavitating Hydrofoils

NASA Technical Reports Server (NTRS)

McKann, Robert E.; Blanchard, Ulysse J.; Pearson, Albin O.

1960-01-01

The hydrodynamic and aerodynamic characteristics of a model of a multijet water-based Mach 2.0 aircraft equipped with hydrofoils have been determined. Takeoff stability and spray characteristics were very good, and sufficient excess thrust was available for takeoff in approximately 32 seconds and 4,700 feet at a gross weight of 225,000 pounds. Longitudinal and lateral stability during smooth-water landings were good. Lateral stability was good during rough-water landings, but forward location of the hydrofoils or added pitch damping was required to prevent diving. Hydrofoils were found to increase the aerodynamic lift-curve slope and to increase the aerodynamic drag coefficient in the transonic speed range, and the maximum lift-drag ratio decreased from 7.6 to 7.2 at the cruise Mach number of 0.9. The hydrofoils provided an increment of positive pitching moment over the Mach number range of the tests (0.6 to 1.42) and reduced the effective dihedral and directional stability.

Rheology and stability kinetics of bare silicon nanoparticle inks for low-cost direct printing

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

More, Priyesh V.; Jeong, Sunho; Seo, Yeong-Hui

2013-12-16

Highly dispersed and stable silicon nanoparticles ink is formulated for its application in direct printing or printable electronics. These dispersions are prepared from free-standing silicon nanoparticles which are not capped with any organic ligand, making it suitable for electronic applications. Silicon nanoparticles dispersions are prepared by suspending the nanoparticles in benzonitrile or ethanol by using polypropylene glycol (PPG) as a binder. All the samples show typical shear thinning behavior while the dispersion samples show low viscosities signifying good quality dispersion. Such thinning behavior favors in fabrication of dense films with spin-coating or patterns with drop casting. The dispersion stability ismore » monitored by turbiscan measurements showing good stability for one week. A low-cost direct printing method for dispersion samples is also demonstrated to obtain micro-sized patterns. Low electrical resistivity of resulting patterns, adjustable viscosity and good stability makes these silicon nanoparticles dispersions highly applicable for direct printing process.« less

Monitoring of a landslide stabilized with bioengineering techniques in 1997, northern Tuscany. Vegetation development analysis and state of preservation of wood

NASA Astrophysics Data System (ADS)

Errico, Alessandro; Giambastiani, Yamuna; Guastini, Enrico; Dani, Andrea

2014-05-01

In 1996 a large landslide occurred in the chestnut grove nearby Pomezzana, a small town situated in the mountains of northern Tuscany, Italy. No damages were registered to population nor infrastructures, but the residual risks deriving from the effects of the event needed to be solved by means of a stabilization of the ground and reforestation. The choice has been found among bioengineering techniques, which perfectly fit in the ecosystem, landscape and the economic budgets of mountain engineering. A complex project has been implemented, using several different typologies of wooden structures, combined with rooted plants, wooden cuttings and grass seeding on the slopes. The most of the stabilization effect was assigned to the cribwalls, construct using local chestnut wood. Works ended in 1997. In 2013, 16 years later, a monitoring on the vegetation development and the state of preservation of the wood in cribwalls has been conducted. On vegetation, it has been surveyed the composition of species, diameter and height. Moreover, by means of a GPS device, the position of every plant has been registered and transcribed on GIS softwares for elaboration. The conservation of wood in cribwalls has been checked using a Resistograph, drilling each structure in three areas (at the two ends and roughly in the middle) and testing every order. The root systems of two plants have been excavated to calculate the RAR value for different depths, in order to quantify the contribution of roots in land stabilization. The soil has been also analyzed to determine structure, texture and geotechnical properties. Combining these data with the topographic survey conducted by the designers of the work, it has been possible to calculate the Safety Factor for landslide triggering using the model Slip4ex. The results show a good preservation rate of wooden structures, combined with a high contribution of roots in stabilization. The registered tree species (mainly Alnus glutinosa) were almost all coming from the nearby forests, while there are just small tracks of the original plantation.

Ares I-X Flight Test Validation of Control Design Tools in the Frequency-Domain

NASA Technical Reports Server (NTRS)

Johnson, Matthew; Hannan, Mike; Brandon, Jay; Derry, Stephen

2011-01-01

A major motivation of the Ares I-X flight test program was to Design for Data, in order to maximize the usefulness of the data recorded in support of Ares I modeling and validation of design and analysis tools. The Design for Data effort was intended to enable good post-flight characterizations of the flight control system, the vehicle structural dynamics, and also the aerodynamic characteristics of the vehicle. To extract the necessary data from the system during flight, a set of small predetermined Programmed Test Inputs (PTIs) was injected directly into the TVC signal. These PTIs were designed to excite the necessary vehicle dynamics while exhibiting a minimal impact on loads. The method is similar to common approaches in aircraft flight test programs, but with unique launch vehicle challenges due to rapidly changing states, short duration of flight, a tight flight envelope, and an inability to repeat any test. This paper documents the validation effort of the stability analysis tools to the flight data which was performed by comparing the post-flight calculated frequency response of the vehicle to the frequency response calculated by the stability analysis tools used to design and analyze the preflight models during the control design effort. The comparison between flight day frequency response and stability tool analysis for flight of the simulated vehicle shows good agreement and provides a high level of confidence in the stability analysis tools for use in any future program. This is true for both a nominal model as well as for dispersed analysis, which shows that the flight day frequency response is enveloped by the vehicle s preflight uncertainty models.

Food protein-stabilized nanoemulsions as potential delivery systems for poorly water-soluble drugs: preparation, in vitro characterization, and pharmacokinetics in rats

PubMed Central

He, Wei; Tan, Yanan; Tian, Zhiqiang; Chen, Lingyun; Hu, Fuqiang; Wu, Wei

2011-01-01

Nanoemulsions stabilized by traditional emulsifiers raise toxicological concerns for long-term treatment. The present work investigates the potential of food proteins as safer stabilizers for nanoemulsions to deliver hydrophobic drugs. Nanoemulsions stabilized by food proteins (soybean protein isolate, whey protein isolate, β-lactoglobulin) were prepared by high-pressure homogenization. The toxicity of the nanoemulsions was tested in Caco-2 cells using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide viability assay. In vivo absorption in rats was also evaluated. Food protein-stabilized nanoemulsions, with small particle size and good size distribution, exhibited better stability and biocompatibility compared with nanoemulsions stabilized by traditional emulsifiers. Moreover, β-lactoglobulin had a better emulsifying capacity and biocompatibility than the other two food proteins. The pancreatic degradation of the proteins accelerated drug release. It is concluded that an oil/water nanoemulsion system with good biocompatibility can be prepared by using food proteins as emulsifiers, allowing better and more rapid absorption of lipophilic drugs. PMID:21468355

Food protein-stabilized nanoemulsions as potential delivery systems for poorly water-soluble drugs: preparation, in vitro characterization, and pharmacokinetics in rats.

PubMed

He, Wei; Tan, Yanan; Tian, Zhiqiang; Chen, Lingyun; Hu, Fuqiang; Wu, Wei

2011-01-01

Nanoemulsions stabilized by traditional emulsifiers raise toxicological concerns for long-term treatment. The present work investigates the potential of food proteins as safer stabilizers for nanoemulsions to deliver hydrophobic drugs. Nanoemulsions stabilized by food proteins (soybean protein isolate, whey protein isolate, β-lactoglobulin) were prepared by high-pressure homogenization. The toxicity of the nanoemulsions was tested in Caco-2 cells using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide viability assay. In vivo absorption in rats was also evaluated. Food protein-stabilized nanoemulsions, with small particle size and good size distribution, exhibited better stability and biocompatibility compared with nanoemulsions stabilized by traditional emulsifiers. Moreover, β-lactoglobulin had a better emulsifying capacity and biocompatibility than the other two food proteins. The pancreatic degradation of the proteins accelerated drug release. It is concluded that an oil/water nanoemulsion system with good biocompatibility can be prepared by using food proteins as emulsifiers, allowing better and more rapid absorption of lipophilic drugs.

Facile fabrication of superhydrophobic films with fractal structures using epoxy resin microspheres

NASA Astrophysics Data System (ADS)

Quan, Yun-Yun; Zhang, Li-Zhi

2014-02-01

A simple method has been developed to fabricate superhydrophobic surfaces with fractal structures with epoxy resin microspheres (ERMs). The ERMs is produced by phase separation in an epoxy-amine curing system with a silica sol (SS) dispersant. The transparent epoxy solution becomes cloudy and turns into epoxy suspension (ES) in this process. The fractal structure (two tier structure) generated by synthetic epoxy resin microspheres (ERMs) and deposited nanoincrutations on the surfaces of these ERMs, which have been observed by scanning electron microscope (SEM). The curing time of ES is an important condition to obtain films with good comprehensive performances. Superhydrophobic films can be prepared by adding extra SS into ES with a curing time longer than 5 h. The optimal curing time is 10 h to fabricate a film with good mechanical stability and high superhydrophobicity. In addition, a surface with anti-wetting property of impacting microdroplets can be fabricated by prolonging the curing time of ES to 24 h. The gradually decreased hydrophilic groups resulted from a longer curing time enable the surface to have smaller surface adhesions to water droplets, which is the main reason to keep its superhydrophobicity under impacting conditions. The coated surface is highly hydrophobic and the impacting water droplets are bounced off from the surface.

Influence of the stretch wrapping process on the mechanical behavior of a stretch film

NASA Astrophysics Data System (ADS)

Klein, Daniel; Stommel, Markus; Zimmer, Johannes

2018-05-01

Lightweight construction is an ongoing task in packaging development. Consequently, the stability of packages during transport is gaining importance. This study contributes to the optimization of lightweight packaging concepts regarding their stability. A very widespread packaging concept is the distribution of goods on a pallet whereas a Polyethylene (PE) stretch film stabilizes the lightweight structure during the shipment. Usually, a stretch wrapping machine applies this stretch film to the pallet. The objective of this study is to support packaging development with a method that predicts the result of the wrapping process, based on the mechanical characterization of the stretch film. This result is not only defined by the amount of stretch film, its spatial distribution on the pallet and its internal stresses that result in a containment force. More accurate, this contribution also considers the influence of the deformation history of the stretch film during the wrapping process. By focusing on similarities of stretch wrappers rather than on differences, the influence of generalized process parameters on stretch film mechanics and thereby on pallet stability can be determined experimentally. For a practical use, the predictive method is accumulated in an analytic model of the wrapping process that can be verified experimentally. This paves the way for experimental and numerical approaches regarding the optimization of pallet stability.

Effect of curcumin caged silver nanoparticle on collagen stabilization for biomedical applications.

PubMed

Srivatsan, Kunnavakkam Vinjimur; Duraipandy, N; Begum, Shajitha; Lakra, Rachita; Ramamurthy, Usha; Korrapati, Purna Sai; Kiran, Manikantan Syamala

2015-04-01

The current study aims at understanding the influence of curcumin caged silver nanoparticle (CCSNP) on stability of collagen. The results indicated that curcumin caged silver nanoparticles efficiently stabilize collagen, indicated by enhanced tensile strength, fibril formation and viscosity. The tensile strength of curcumin caged silver nanoparticle cross-linked collagen and elongation at break was also found to be higher than glutaraldehyde cross-linked collagen. The physicochemical characteristics of curcumin caged nanoparticle cross-linked collagen exhibited enhanced strength. The thermal properties were also good with both thermal degradation temperature and hydrothermal stability higher than native collagen. CD analysis showed no structural disparity in spite of superior physicochemical properties suggesting the significance of curcumin caged nanoparticle mediated cross-linking. The additional enhancement in the stabilization of collagen could be attributed to multiple sites for interaction with collagen molecule provided by curcumin caged silver nanoparticles. The results of cell proliferation and anti-microbial activity assays indicated that curcumin caged silver nanoparticles promoted cell proliferation and inhibited microbial growth making it an excellent biomaterial for wound dressing application. The study opens scope for nano-biotechnological strategies for the development of alternate non-toxic cross-linking agents facilitating multiple site interaction thereby improving therapeutic values to the collagen for biomedical application. Copyright © 2015 Elsevier B.V. All rights reserved.

Nanoparticle-Mediated Physical Exfoliation of Aqueous-Phase Graphene for Fabrication of Three-Dimensionally Structured Hybrid Electrodes.

PubMed

Lee, Younghee; Choi, Hojin; Kim, Min-Sik; Noh, Seonmyeong; Ahn, Ki-Jin; Im, Kyungun; Kwon, Oh Seok; Yoon, Hyeonseok

2016-01-27

Monodispersed polypyrrole (PPy) nanospheres were physically incorporated as guest species into stacked graphene layers without significant property degradation, thereby facilitating the formation of unique three-dimensional hybrid nanoarchitecture. The electrochemical properties of the graphene/particulate PPy (GPPy) nanohybrids were dependent on the sizes and contents of the PPy nanospheres. The nanohybrids exhibited optimum electrochemical performance in terms of redox activity, charge-transfer resistance, and specific capacitance at an 8:1 PPy/graphite (graphene precursor) weight ratio. The packing density of the alternately stacked nanohybrid structure varied with the nanosphere content, indicating the potential for high volumetric capacitance. The nanohybrids also exhibited good long-term cycling stability because of a structural synergy effect. Finally, fabricated nanohybrid-based flexible all-solid state capacitor cells exhibited good electrochemical performance in an acidic electrolyte with a maximum energy density of 8.4 Wh kg(-1) or 1.9 Wh L(-1) at a maximum power density of 3.2 kW kg(-1) or 0.7 kW L(-1); these performances were based on the mass or packing density of the electrode materials.

Nanoparticle-Mediated Physical Exfoliation of Aqueous-Phase Graphene for Fabrication of Three-Dimensionally Structured Hybrid Electrodes

PubMed Central

Lee, Younghee; Choi, Hojin; Kim, Min-Sik; Noh, Seonmyeong; Ahn, Ki-Jin; Im, Kyungun; Kwon, Oh Seok; Yoon, Hyeonseok

2016-01-01

Monodispersed polypyrrole (PPy) nanospheres were physically incorporated as guest species into stacked graphene layers without significant property degradation, thereby facilitating the formation of unique three-dimensional hybrid nanoarchitecture. The electrochemical properties of the graphene/particulate PPy (GPPy) nanohybrids were dependent on the sizes and contents of the PPy nanospheres. The nanohybrids exhibited optimum electrochemical performance in terms of redox activity, charge-transfer resistance, and specific capacitance at an 8:1 PPy/graphite (graphene precursor) weight ratio. The packing density of the alternately stacked nanohybrid structure varied with the nanosphere content, indicating the potential for high volumetric capacitance. The nanohybrids also exhibited good long-term cycling stability because of a structural synergy effect. Finally, fabricated nanohybrid-based flexible all–solid state capacitor cells exhibited good electrochemical performance in an acidic electrolyte with a maximum energy density of 8.4 Wh kg−1 or 1.9 Wh L−1 at a maximum power density of 3.2 kW kg−1 or 0.7 kW L−1; these performances were based on the mass or packing density of the electrode materials. PMID:26813878

High-efficiency/CRI/color stability warm white organic light-emitting diodes by incorporating ultrathin phosphorescence layers in a blue fluorescence layer

NASA Astrophysics Data System (ADS)

Miao, Yanqin; Wang, Kexiang; Zhao, Bo; Gao, Long; Tao, Peng; Liu, Xuguang; Hao, Yuying; Wang, Hua; Xu, Bingshe; Zhu, Furong

2018-01-01

By incorporating ultrathin (<0.1 nm) green, yellow, and red phosphorescence layers with different sequence arrangements in a blue fluorescence layer, four unique and simplified fluorescence/phosphorescence (F/P) hybrid, white organic light-emitting diodes (WOLEDs) were obtained. All four devices realize good warm white light emission, with high color rending index (CRI) of >80, low correlated color temperature of <3600 K, and high color stability at a wide voltage range of 5 V-9 V. These hybrid WOLEDs also reveal high forward-viewing external quantum efficiencies (EQE) of 17.82%-19.34%, which are close to the theoretical value of 20%, indicating an almost complete exciton harvesting. In addition, the electroluminescence spectra of the hybrid WOLEDs can be easily improved by only changing the incorporating sequence of the ultrathin phosphorescence layers without device efficiency loss. For example, the hybrid WOLED with an incorporation sequence of ultrathin red/yellow/green phosphorescence layers exhibits an ultra-high CRI of 96 and a high EQE of 19.34%. To the best of our knowledge, this is the first WOLED with good tradeoff among device efficiency, CRI, and color stability. The introduction of ultrathin (<0.1 nm) phosphorescence layers can also greatly reduce the consumption of phosphorescent emitters as well as simplify device structures and fabrication process, thus leading to low cost. Such a finding is very meaningful for the potential commercialization of hybrid WOLEDs.

[Validity and factorial invariance of the social ecological model in explaining fruit intake in Mexican schoolchildren].

PubMed

Ochoa-Meza, Gerardo; Sierra, Juan Carlos; Pérez-Rodrigo, Carmen; Aranceta Bartrina, Javier; Esparza-Del Villar, Óscar A

2014-11-24

To test the goodness of fit of a Motivation-Ability-Opportunity model (MAO-model) to evaluate the observed variance in Mexican schoolchildren's preferences to eat fruit and daily fruit intake; also to evaluate the factorial invariance across the gender and type of population (urban and semi-urban) in which children reside. A model with seven constructs was designed from a validated questionnaire to assess preferences, cognitive abilities, attitude, modelling, perceived barriers, accessibility at school, accessibility at home, and fruit intake frequency. The instrument was administered in a representative sample of 1434 schoolchildren of 5th and 6th grade of primary school in a cross-sectional and ex post fact study conducted in 2013 in six cities of the State of Chihuahua, Mexico. The goodness of fit indexes was adequate for the MAO-model and explained 39% of the variance in preference to eat fruit. The structure of the model showed very good factor structure stability and the dimensions of the scale were equivalent in the different samples analyzed. The model analyzed with structural equation modeling showed a parsimonious model that can be used to explain the variation in fruit intake of 10 to 12 year old Mexican schoolchildren. The structure of the model was strictly invariant in the different samples analyzed and showed evidence of cross validation. Finally, implications about the modification model to fit data from scholar settings and guidelines for future research are discussed. Copyright AULA MEDICA EDICIONES 2014. Published by AULA MEDICA. All rights reserved.

Semi-Metallic Be5C2 Monolayer Global Minimum with Quasi-Planar Pentacoordinate Carbons and Negative Poissons Ratio (Open Access Publisher’s Version)

DTIC Science & Technology

2016-05-03

ARTICLE Received 25 Nov 2015 | Accepted 1 Apr 2016 | Published 3 May 2016 Semi-metallic Be5C2 monolayer global minimum with quasi -planar...forming a quasi -planar pentacoordinate carbon moiety. Be5C2 monolayer appears to have good stability as revealed by its moderate cohesive energy...some promise to be realized experimentally . Be5C2 monolayer is a gapless semiconductor with a Dirac-like point in the band structure and also has an

One-step hydrothermal synthesis of hexangular starfruit-like vanadium oxide for high power aqueous supercapacitors

NASA Astrophysics Data System (ADS)

Shao, Jie; Li, Xinyong; Qu, Qunting; Zheng, Honghe

2012-12-01

Homogenous hexangular starfruit-like vanadium oxide was prepared for the first time by a one-step hydrothermal method. The assembly process of hexangular starfruit-like structure was observed from TEM images. The electrochemical performance of starfruit-like vanadium oxide was examined by cyclic voltammetry and galvanostatic charge/discharge. The obtained starfruit-like vanadium oxide exhibits a high power capability (19 Wh kg-1 at the specific power of 3.4 kW kg-1) and good cycling stability for supercapacitors application.

Microstructural analysis of W-SiCf/SiC composite

NASA Astrophysics Data System (ADS)

Yoon, Hanki; Oh, Jeongseok; Kim, Gonho; Kim, Hyunsu; Takahashi, Heishichiro; Kohyama, Akira

2015-03-01

Continuous silicon carbide fiber-reinforced silicon carbide (SiCf/SiC) composites are promising structure candidates for future fusion power systems such as gas coolant fast channels, extreme high temperature reactor and fusion reactors, because of their intrinsic properties such as excellent mechanical properties, high thermal conductivity, good thermal-shock resistance as well as excellent physical and chemical stability in various environments under elevated temperature conditions. In this study, bonding of tungsten and SiCf/SiC was produced by hot-press method. Microstructure analyses were performed using SEM and TEM.

Synthesis, characterization and experimental investigation of Cu-BTC as CO2 adsorbent from flue gas.

PubMed

Xie, Jiangkun; Yan, Naiqiang; Qu, Zan; Yang, Shijian

2012-01-01

Porous Cu-BTC material was synthesized by the solvothermal method. Powder X-ray diffraction (PXRD) was used to test the phase purity of the synthesized material and investigate its structural stability under the influence of flue gas components. The thermal stability of the material was determined through thermal gravimetric (TG) analysis. Scanning electron microscopy (SEM) was employed to study the microstructure of the material. Cu-BTC was demonstrated not only to have high CO2 adsorption capacity but also good selectivity of CO2 over N2 by means of packed bed tests. The adsorption capacity of Cu-BTC for CO2 was about 69 mL/g at 22 degrees C. The influence of the main flue gas components on the CO2 capacity of the material were discussed as well.

Effect of ZnO:Cs2CO3 on the performance of organic photovoltaics

PubMed Central

2014-01-01

We demonstrate a new solution-processed electron transport layer (ETL), zinc oxide doped with cesium carbonate (ZnO:Cs2CO3), for achieving organic photovoltaics (OPVs) with good operational stability at ambient air. An OPV employing the ZnO:Cs2CO3 ETL exhibits a fill factor of 62%, an open circuit voltage of 0.90 V, and a short circuit current density of −6.14 mA/cm2 along with 3.43% power conversion efficiency. The device demonstrated air stability for a period over 4 weeks. In addition, we also studied the device structure dependence on the performance of organic photovoltaics. Thus, we conclude that ZnO:Cs2CO3 ETL could be employed in a suitable architecture to achieve high-performance OPV. PMID:25045340

Efficient Human Breast Cancer Xenograft Regression after a Single Treatment with a Novel Liposomal Formulation of Epirubicin Prepared Using the EDTA Ion Gradient Method

PubMed Central

Gubernator, Jerzy; Lipka, Dominik; Korycińska, Mariola; Kempińska, Katarzyna; Milczarek, Magdalena; Wietrzyk, Joanna; Hrynyk, Rafał; Barnert, Sabine; Süss, Regine; Kozubek, Arkadiusz

2014-01-01

Liposomes act as efficient drug carriers. Recently, epirubicin (EPI) formulation was developed using a novel EDTA ion gradient method for drug encapsulation. This formulation displayed very good stability and drug retention in vitro in a two-year long-term stability experiment. The cryo-TEM images show drug precipitate structures different than ones formed with ammonium sulfate method, which is usually used to encapsulate anthracyclines. Its pharmacokinetic properties and its efficacy in the human breast MDA-MB-231 cancer xenograft model were also determined. The liposomal EPI formulation is eliminated slowly with an AUC of 7.6487, while the free drug has an AUC of only 0.0097. The formulation also had a much higher overall antitumor efficacy than the free drug. PMID:24621591

Macroporous Inverse Opal-like MoxC with Incorporated Mo Vacancies for Significantly Enhanced Hydrogen Evolution.

PubMed

Li, Feng; Zhao, Xianglong; Mahmood, Javeed; Okyay, Mahmut Sait; Jung, Sun-Min; Ahmad, Ishfaq; Kim, Seok-Jin; Han, Gao-Feng; Park, Noejung; Baek, Jong-Beom

2017-07-25

The hydrogen evolution reaction (HER) is one of the most important pathways for producing pure and clean hydrogen. Although platinum (Pt) is the most efficient HER electrocatalyst, its practical application is significantly hindered by high-cost and scarcity. In this work, an Mo x C with incorporated Mo vacancies and macroporous inverse opal-like (IOL) structure (Mo x C-IOL) was synthesized and studied as a low-cost efficient HER electrocatalyst. The macroporous IOL structure was controllably fabricated using a facile-hard template strategy. As a result of the combined benefits of the Mo vacancies and structural advantages, including appropriate hydrogen binding energy, large exposed surface, robust IOL structure and fast mass/charge transport, the synthesized Mo x C-IOL exhibited significantly enhanced HER electrocatalytic performance with good stability, with performance comparable or superior to Pt wire in both acidic and alkaline solutions.

Beam-based measurements of long-range transverse wakefields in the Compact Linear Collider main-linac accelerating structure

DOE PAGES

Zha, Hao; Latina, Andrea; Grudiev, Alexej; ...

2016-01-20

The baseline design of CLIC (Compact Linear Collider) uses X-band accelerating structures for its main linacs. In order to maintain beam stability in multibunch operation, long-range transverse wakefields must be suppressed by 2 orders of magnitude between successive bunches, which are separated in time by 0.5 ns. Such strong wakefield suppression is achieved by equipping every accelerating structure cell with four damping waveguides terminated with individual rf loads. A beam-based experiment to directly measure the effectiveness of this long-range transverse wakefield and benchmark simulations was made in the FACET test facility at SLAC using a prototype CLIC accelerating structure. Furthermore,more » the experiment showed good agreement with the simulations and a strong suppression of the wakefields with an unprecedented minimum resolution of 0.1 V/(pC mm m).« less

Structural Transformation of LiFePO4 during Ultrafast Delithiation.

PubMed

Kuss, Christian; Trinh, Ngoc Duc; Andjelic, Stefan; Saulnier, Mathieu; Dufresne, Eric M; Liang, Guoxian; Schougaard, Steen B

2017-12-21

The prolific lithium battery electrode material lithium iron phosphate (LiFePO 4 ) stores and releases lithium ions by undergoing a crystallographic phase change. Nevertheless, it performs unexpectedly well at high rate and exhibits good cycling stability. We investigate here the ultrafast charging reaction to resolve the underlying mechanism while avoiding the limitations of prevailing electrochemical methods by using a gaseous oxidant to deintercalate lithium from the LiFePO 4 structure. Oxidizing LiFePO 4 with nitrogen dioxide gas reveals structural changes through in situ synchrotron X-ray diffraction and electronic changes through in situ UV/vis reflectance spectroscopy. This study clearly shows that ultrahigh rates reaching 100% state of charge in 10 s does not lead to a particle-wide union of the olivine and heterosite structures. An extensive solid solution phase is therefore not a prerequisite for ultrafast charge/discharge.

The Pressure Dependence of Structural, Electronic, Mechanical, Vibrational, and Thermodynamic Properties of Palladium-Based Heusler Alloys

NASA Astrophysics Data System (ADS)

Çoban, Cansu

2017-08-01

The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd2TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, the bulk modulus and its first pressure derivative, the electronic band structure and the density of states (DOS), mechanical properties such as elastic constants, anisotropy factor, Young's modulus, etc., the phonon dispersion curves and phonon DOS, entropy, heat capacity, and free energy were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature, the elastic constants obey the stability criterion, and the phonon dispersion curves have no negative frequency which shows that the compounds are stable. The band structures at 0, 50, and 70 GPa showed valence instability at the L point which explains the superconductivity in Pd2TiX (X=Ga, In).

General mechanism of two-state protein folding kinetics.

PubMed

Rollins, Geoffrey C; Dill, Ken A

2014-08-13

We describe here a general model of the kinetic mechanism of protein folding. In the Foldon Funnel Model, proteins fold in units of secondary structures, which form sequentially along the folding pathway, stabilized by tertiary interactions. The model predicts that the free energy landscape has a volcano shape, rather than a simple funnel, that folding is two-state (single-exponential) when secondary structures are intrinsically unstable, and that each structure along the folding path is a transition state for the previous structure. It shows how sequential pathways are consistent with multiple stochastic routes on funnel landscapes, and it gives good agreement with the 9 order of magnitude dependence of folding rates on protein size for a set of 93 proteins, at the same time it is consistent with the near independence of folding equilibrium constant on size. This model gives estimates of folding rates of proteomes, leading to a median folding time in Escherichia coli of about 5 s.

Ab initio predictions of structural and elastic properties of struvite: contribution to urinary stone research.

PubMed

Piechota, Jacek; Prywer, Jolanta; Torzewska, Agnieszka

2012-01-01

In the present work, we carried out density functional calculations of struvite--the main component of the so-called infectious urinary stones--to study its structural and elastic properties. Using a local density approximation and a generalised gradient approximation, we calculated the equilibrium structural parameters and elastic constants C(ijkl). At present, there is no experimental data for these elastic constants C (ijkl) for comparison. Besides the elastic constants, we also present the calculated macroscopic mechanical parameters, namely the bulk modulus (K), the shear modulus (G) and Young's modulus (E). The values of these moduli are found to be in good agreement with available experimental data. Our results imply that the mechanical stability of struvite is limited by the shear modulus, G. The study also explores the energy-band structure to understand the obtained values of the elastic constants.

Structural Transformation of LiFePO 4 during Ultrafast Delithiation

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

Kuss, Christian; Trinh, Ngoc Duc; Andjelic, Stefan

The prolific lithium battery electrode material lithium iron phosphate (LiFePO 4) stores and releases lithium ions by undergoing a crystallographic phase change. Nevertheless, it performs unexpectedly well at high rate and exhibits good cycling stability. Here we investigate here the ultrafast charging reaction to resolve the underlying mechanism while avoiding the limitations of prevailing electrochemical methods by using a gaseous oxidant to deintercalate lithium from the LiFePO 4 structure. Oxidizing LiFePO 4 with nitrogen dioxide gas reveals structural changes through in situ synchrotron X-ray diffraction and electronic changes through in situ UV/vis reflectance spectroscopy. This study clearly shows that ultrahighmore » rates reaching 100% state of charge in 10 s does not lead to a particle-wide union of the olivine and heterosite structures. An extensive solid solution phase is therefore not a prerequisite for ultrafast charge/discharge.« less

Effects of external magnetic field and magnetic anisotropy on chiral spin structures of square nanodisks investigated with a quantum simulation approach

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2016-04-01

We employed a quantum simulation approach to investigate the magnetic properties of monolayer square nanodisks with Dzyaloshinsky-Moriya (DM) interaction. The computational program converged very quickly, and generated chiral spin structures on the disk planes with good symmetry. When the DM interaction is sufficiently strong, multi-domain structures appears, their sizes or average distance between each pair of domains can be approximately described by a modified grid theory. We further found that the external magnetic field and uniaxial magnetic anisotropy both normal to the disk plane lead to reductions of the total free energy and total energy of the nanosystems, thus are able to stabilize and/or induce the vortical structures, however, the chirality of the vortex is still determined by the sign of the DM interaction parameter. Moreover, the geometric shape of the nanodisk affects the spin configuration on the disk plane as well.

Structural Transformation of LiFePO 4 during Ultrafast Delithiation

DOE PAGES

Kuss, Christian; Trinh, Ngoc Duc; Andjelic, Stefan; ...

2017-12-05

The prolific lithium battery electrode material lithium iron phosphate (LiFePO 4) stores and releases lithium ions by undergoing a crystallographic phase change. Nevertheless, it performs unexpectedly well at high rate and exhibits good cycling stability. Here we investigate here the ultrafast charging reaction to resolve the underlying mechanism while avoiding the limitations of prevailing electrochemical methods by using a gaseous oxidant to deintercalate lithium from the LiFePO 4 structure. Oxidizing LiFePO 4 with nitrogen dioxide gas reveals structural changes through in situ synchrotron X-ray diffraction and electronic changes through in situ UV/vis reflectance spectroscopy. This study clearly shows that ultrahighmore » rates reaching 100% state of charge in 10 s does not lead to a particle-wide union of the olivine and heterosite structures. An extensive solid solution phase is therefore not a prerequisite for ultrafast charge/discharge.« less

Structural, microstructural and thermal analysis of U-(6-x)Zr-xNb alloys (x = 0, 2, 4, 6)

NASA Astrophysics Data System (ADS)

Kaity, Santu; Banerjee, Joydipta; Parida, S. C.; Bhasin, Vivek

2018-06-01

Uranium-rich U-Zr-Nb alloy is considered as a good alternative fuel for fast reactors from the perspective of excellent dimensional stability and desired thermo-physical properties to achieve higher burnup. Detailed investigations related to the structural and microstructural characterization, thermal expansion, phase transformation, microhardness were carried out on U-6Zr, U-4Zr-2Nb, U-2Zr-4Nb and U-6Nb alloys (composition in wt%) where the total amount of alloying elements was restricted to 6 wt%. Structural, microstructural and thermal analysis studies revealed that these alloys undergo a series of transformations from high temperature bcc γ-phase to a variety of equilibrium and intermediate phases depending upon alloy composition, cooling rate and quenching. The structural analysis was carried out by Rietveld refinement. The data of U-Nb and U-Zr-Nb alloys have been highlighted and compared with binary U-Zr alloy.

Enhanced cycling stability of NiCo2S4@NiO core-shell nanowire arrays for all-solid-state asymmetric supercapacitors.

PubMed

Huang, Yuanyuan; Shi, Tielin; Jiang, Shulan; Cheng, Siyi; Tao, Xiangxu; Zhong, Yan; Liao, Guanglan; Tang, Zirong

2016-12-07

As a new class of pseudocapacitive material, metal sulfides possess high electrochemical performance. However, their cycling performance as conventional electrodes is rather poor for practical applications. In this article, we report an original composite electrode based on NiCo 2 S 4 @NiO core-shell nanowire arrays (NWAs) with enhanced cycling stability. This three-dimensional electrode also has a high specific capacitance of 12.2 F cm -2 at the current density of 1 mA cm -2 and excellent cycling stability (about 89% retention after 10,000 cycles). Moreover, an all-solid-state asymmetric supercapacitor (ASC) device has been assembled with NiCo 2 S 4 @NiO NWAs as the positive electrode and active carbon (AC) as the negative electrode, delivering a high energy density of 30.38 W h kg -1 at 0.288 KW kg -1 and good cycling stability (about 109% retention after 5000 cycles). The results show that NiCo 2 S 4 @NiO NWAs are promising for high-performance supercapacitors with stable cycling based on the unique core-shell structure and well-designed combinations.

Enhanced cycling stability of NiCo2S4@NiO core-shell nanowire arrays for all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Huang, Yuanyuan; Shi, Tielin; Jiang, Shulan; Cheng, Siyi; Tao, Xiangxu; Zhong, Yan; Liao, Guanglan; Tang, Zirong

2016-12-01

As a new class of pseudocapacitive material, metal sulfides possess high electrochemical performance. However, their cycling performance as conventional electrodes is rather poor for practical applications. In this article, we report an original composite electrode based on NiCo2S4@NiO core-shell nanowire arrays (NWAs) with enhanced cycling stability. This three-dimensional electrode also has a high specific capacitance of 12.2 F cm-2 at the current density of 1 mA cm-2 and excellent cycling stability (about 89% retention after 10,000 cycles). Moreover, an all-solid-state asymmetric supercapacitor (ASC) device has been assembled with NiCo2S4@NiO NWAs as the positive electrode and active carbon (AC) as the negative electrode, delivering a high energy density of 30.38 W h kg-1 at 0.288 KW kg-1 and good cycling stability (about 109% retention after 5000 cycles). The results show that NiCo2S4@NiO NWAs are promising for high-performance supercapacitors with stable cycling based on the unique core-shell structure and well-designed combinations.

Enhanced cycling stability of NiCo2S4@NiO core-shell nanowire arrays for all-solid-state asymmetric supercapacitors

PubMed Central

Huang, Yuanyuan; Shi, Tielin; Jiang, Shulan; Cheng, Siyi; Tao, Xiangxu; Zhong, Yan; Liao, Guanglan; Tang, Zirong

2016-01-01

As a new class of pseudocapacitive material, metal sulfides possess high electrochemical performance. However, their cycling performance as conventional electrodes is rather poor for practical applications. In this article, we report an original composite electrode based on NiCo2S4@NiO core-shell nanowire arrays (NWAs) with enhanced cycling stability. This three-dimensional electrode also has a high specific capacitance of 12.2 F cm−2 at the current density of 1 mA cm−2 and excellent cycling stability (about 89% retention after 10,000 cycles). Moreover, an all-solid-state asymmetric supercapacitor (ASC) device has been assembled with NiCo2S4@NiO NWAs as the positive electrode and active carbon (AC) as the negative electrode, delivering a high energy density of 30.38 W h kg−1 at 0.288 KW kg−1 and good cycling stability (about 109% retention after 5000 cycles). The results show that NiCo2S4@NiO NWAs are promising for high-performance supercapacitors with stable cycling based on the unique core-shell structure and well-designed combinations. PMID:27924927

Reduced Graphene Oxide-Wrapped FeS2 Composite as Anode for High-Performance Sodium-Ion Batteries

NASA Astrophysics Data System (ADS)

Wang, Qinghong; Guo, Can; Zhu, Yuxuan; He, Jiapeng; Wang, Hongqiang

2018-06-01

Iron disulfide is considered to be a potential anode material for sodium-ion batteries due to its high theoretical capacity. However, its applications are seriously limited by the weak conductivity and large volume change, which results in low reversible capacity and poor cycling stability. Herein, reduced graphene oxide-wrapped FeS2 (FeS2/rGO) composite was fabricated to achieve excellent electrochemical performance via a facile two-step method. The introduction of rGO effectively improved the conductivity, BET surface area, and structural stability of the FeS2 active material, thus endowing it with high specific capacity, good rate capability, as well as excellent cycling stability. Electrochemical measurements show that the FeS2/rGO composite had a high initial discharge capacity of 1263.2 mAh g-1 at 100 mA g-1 and a high discharge capacity of 344 mAh g-1 at 10 A g-1, demonstrating superior rate performance. After 100 cycles at 100 mA g-1, the discharge capacity remained at 609.5 mAh g-1, indicating the excellent cycling stability of the FeS2/rGO electrode.

Development of antibacterial paper coated with sodium hyaluronate stabilized curcumin-Ag nanohybrid and chitosan via polyelectrolyte complexation for medical applications

NASA Astrophysics Data System (ADS)

Rao Kummara, Madhusudana; Kumar, Anuj; Soo, Han Sung

2017-11-01

Sodium hyaluronate (HA) stabilized curcumin-Ag (Cur-Ag) hybrid nanoparticles were prepared in the water-ethanol mixture under constant mechanical stirring condition. The obtained HA stabilized Cur-Ag hybrid nanoparticles were characterized by fourier transform infrared spectroscopy, UV-visible spectroscopy, and x-ray diffraction to confirm the formation and structural interactions. The obtained Cur-Ag hybrid nanoparticles showed spherical shape with their size range 5-12 nm that was increased with the increasing a amount of silver ions as confirmed by transmission electron microscopic analysis. Further, a fibrous cellulose filter paper was impregnated with these hybrid nanoparticles and chitosan (CS) as biopolymer via polyelectrolyte complexation. The morphological analysis confirmed the uniform distribution of hybrid nanoparticle system onto the cellulose fibers of the fibrous filter paper. As per disc diffusion method, the Cur-Ag hybrid nanoparticles impregnated CS-coated filter paper exhibited excellent antibacterial properties against gram-negative Escherichia coli (E.coli) bacteria compared to HA stabilized Cur only. Moreover, as prepared hybrid nanoparticles impregnated biocomposite system is eco-friendly with efficient antibacterial property and have good potential to be used in medical applications.

Me-3,2-HOPO Complexes of Near Infra-Red (NIR) Emitting Lanthanides: Efficient Sensitization of Yb(III) and Nd(III) in Aqueous Solution

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

Moore, Evan G.; Xu, Jide; Dodani, Sheel

2009-11-10

The synthesis, X-ray structure, solution stability, and photophysical properties of several trivalent lanthanide complexes of Yb(III) and Nd(III) using both tetradentate and octadentate ligand design strategies and incorporating the 1-methyl-3-hydroxy-pyridin-2-one (Me-3,2-HOPO) chelate group are reported. Both the Yb(III) and Nd(III) complexes have emission bands in the Near Infra-Red (NIR) region, and this luminescence is retained in aqueous solution ({Phi}{sub tot}{sup Yb} {approx} 0.09-0.22%). Furthermore, the complexes demonstrate very high stability (pYb {approx} 18.8-21.9) in aqueous solution, making them good candidates for further development as probes for NIR imaging. Analysis of the low temperature (77 K) photophysical measurements for a modelmore » Gd(III) complex were used to gain an insight into the electronic structure, and were found to agree well with corresponding TD-DFT calculations at the B3LYP/6-311G{sup ++}(d,p) level of theory for a simplified model monovalent sodium complex.« less

Zircon-Based Ceramics Composite Coating for Environmental Barrier Coating

NASA Astrophysics Data System (ADS)

Suzuki, M.; Sodeoka, S.; Inoue, T.

2008-09-01

Studies on plasma spraying of zircon (ZrSiO4) have been carried out by the authors as one of the candidates for an environmental barrier coating (EBC) application, and had reported that substrate temperature is one of the most important factors to obtain crack-free and highly adhesive coating. In this study, several amounts of yttria were added to zircon powder, and the effect of the yttria addition on the structure and properties of the coatings were evaluated to improve the stability of the zircon coating structure at elevated temperature. The coatings obtained were composed of yttria-stabilized zirconia (YSZ), glassy silica, whereas the one prepared from monolithic zircon powder was composed of the metastable high temperature tetragonal phase of zirconia and glassy silica. After the heat treatment over 1200 °C, silica and zirconia formed zircon in all coatings. However, coatings with higher amounts of yttria exhibited lower amounts of zircon. This resulted in the less open porosity of the coating at elevated temperature. These yttria-added coatings also showed good adhesion even after the heat treatment, while monolithic zircon coating pealed off.

Highly electroconductive mesoporous graphene nanofibers and their capacitance performance at 4 V.

PubMed

Cui, Chaojie; Qian, Weizhong; Yu, Yuntao; Kong, Chuiyan; Yu, Bo; Xiang, Lan; Wei, Fei

2014-02-12

We report the fabrication of one-dimensional highly electroconductive mesoporous graphene nanofibers (GNFs) by a chemical vapor deposition method using MgCO3·3H2O fibers as the template. The growth of such a unique structure underwent the first in situ decomposition of MgCO3·3H2O fibers to porous MgO fibers, followed by the deposition of carbon on the MgO surface, the removal of MgO by acidic washing, and the final self-assembly of wet graphene from single to double layer in drying process. GNFs exhibited good structural stability, high surface area, mesopores in large amount, and electrical conductivity 3 times that of carbon nanotube aggregates. It, used as an electrode in a 4 V supercapacitor, exhibited high energy density in a wide range of high power density and excellent cycling stability. The short diffusion distance for ions of ionic liquids electrolyte to the surface of GNFs yielded high surface utilization efficiency and a capacitance up to 15 μF/cm(2), higher than single-walled carbon nanotubes.

Synthesis of ligand-stabilized metal oxide nanocrystals and epitaxial core/shell nanocrystals via a lower-temperature esterification process.

PubMed

Ito, Daisuke; Yokoyama, Shun; Zaikova, Tatiana; Masuko, Keiichiro; Hutchison, James E

2014-01-28

The properties of metal oxide nanocrystals can be tuned by incorporating mixtures of matrix metal elements, adding metal ion dopants, or constructing core/shell structures. However, high-temperature conditions required to synthesize these nanocrystals make it difficult to achieve the desired compositions, doping levels, and structural control. We present a lower temperature synthesis of ligand-stabilized metal oxide nanocrystals that produces crystalline, monodisperse nanocrystals at temperatures well below the thermal decomposition point of the precursors. Slow injection (0.2 mL/min) of an oleic acid solution of the metal oleate complex into an oleyl alcohol solvent at 230 °C results in a rapid esterification reaction and the production of metal oxide nanocrystals. The approach produces high yields of crystalline, monodisperse metal oxide nanoparticles containing manganese, iron, cobalt, zinc, and indium within 20 min. Synthesis of tin-doped indium oxide (ITO) can be accomplished with good control of the tin doping levels. Finally, the method makes it possible to perform epitaxial growth of shells onto nanocrystal cores to produce core/shell nanocrystals.

Quantitative analysis of weak interactions by Lattice energy calculation, Hirshfeld surface and DFT studies of sulfamonomethoxine

NASA Astrophysics Data System (ADS)

Patel, Kinjal D.; Patel, Urmila H.

2017-01-01

Sulfamonomethoxine, 4-Amino-N-(6-methoxy-4-pyrimidinyl) benzenesulfonamide (C11H12N4O3S), is investigated by single crystal X-ray diffraction technique. Pair of N-H⋯N and C-H⋯O intermolecular interactions along with π···π interaction are responsible for the stability of the molecular packing of the structure. In order to understand the nature of the interactions and their quantitative contributions towards the crystal packing, the 3D Hirshfeld surface and 2D fingerprint plot analysis are carried out. PIXEL calculations are performed to determine the lattice energies correspond to intermolecular interactions in the crystal structure. Ab initio quantum chemical calculations of sulfamonomethoxine (SMM) have been performed by B3LYP method, using 6-31G** basis set with the help of Schrodinger software. The computed geometrical parameters are in good agreement with the experimental data. The Mulliken charge distribution, calculated using B3LYP method to confirm the presence of electron acceptor and electron donor atoms, responsible for intermolecular hydrogen bond interactions hence the molecular stability.

Correlation of anisotropy and directional conduction in β-Li 3PS 4 fast Li + conductor

DOE PAGES

Chen, Yan; Cai, Lu; Liu, Zengcai; ...

2015-07-06

Our letter reports the correlation of anisotropy and directional conduction in the fast Li + conductor β-Li 3PS 4, one of the low-symmetry crystalline electrolyte candidates. The material has both high conductivity and good stability that serves well for the large-scale energy storage applications of all-solid-state lithium ion batteries. The anisotropic physical properties, demonstrated here by the thermal expansion coefficients, are crucial for compatibility in the solid-state system and battery performance. Neutron and X-ray powder diffraction measurements were done to determine the crystal structure and thermal stability. Moreover, the crystallographic b-axis was revealed as a fast expansion direction, while negligiblemore » thermal expansion was observed along the a-axis around the battery operating temperatures. The anisotropic behavior has its structural origin from the Li + conduction channels with incomplete Li occupancy and a flexible connection of LiS 4 and PS 4 tetrahedra within the framework. This indicates a strong correlation in the direction of the ionic transport in the low-symmetry Li + conductor.« less

Zinc-binding structure of a catalytic amyloid from solid-state NMR.

PubMed

Lee, Myungwoon; Wang, Tuo; Makhlynets, Olga V; Wu, Yibing; Polizzi, Nicholas F; Wu, Haifan; Gosavi, Pallavi M; Stöhr, Jan; Korendovych, Ivan V; DeGrado, William F; Hong, Mei

2017-06-13

Throughout biology, amyloids are key structures in both functional proteins and the end product of pathologic protein misfolding. Amyloids might also represent an early precursor in the evolution of life because of their small molecular size and their ability to self-purify and catalyze chemical reactions. They also provide attractive backbones for advanced materials. When β-strands of an amyloid are arranged parallel and in register, side chains from the same position of each chain align, facilitating metal chelation when the residues are good ligands such as histidine. High-resolution structures of metalloamyloids are needed to understand the molecular bases of metal-amyloid interactions. Here we combine solid-state NMR and structural bioinformatics to determine the structure of a zinc-bound metalloamyloid that catalyzes ester hydrolysis. The peptide forms amphiphilic parallel β-sheets that assemble into stacked bilayers with alternating hydrophobic and polar interfaces. The hydrophobic interface is stabilized by apolar side chains from adjacent sheets, whereas the hydrated polar interface houses the Zn 2+ -binding histidines with binding geometries unusual in proteins. Each Zn 2+ has two bis-coordinated histidine ligands, which bridge adjacent strands to form an infinite metal-ligand chain along the fibril axis. A third histidine completes the protein ligand environment, leaving a free site on the Zn 2+ for water activation. This structure defines a class of materials, which we call metal-peptide frameworks. The structure reveals a delicate interplay through which metal ions stabilize the amyloid structure, which in turn shapes the ligand geometry and catalytic reactivity of Zn 2 .

High-performance NiO/Ag/NiO transparent electrodes for flexible organic photovoltaic cells.

PubMed

Xue, Zhichao; Liu, Xingyuan; Zhang, Nan; Chen, Hong; Zheng, Xuanming; Wang, Haiyu; Guo, Xiaoyang

2014-09-24

Transparent electrodes with a dielectric-metal-dielectric (DMD) structure can be implemented in a simple manufacturing process and have good optical and electrical properties. In this study, nickel oxide (NiO) is introduced into the DMD structure as a more appropriate dielectric material that has a high conduction band for electron blocking and a low valence band for efficient hole transport. The indium-free NiO/Ag/NiO (NAN) transparent electrode exhibits an adjustable high transmittance of ∼82% combined with a low sheet resistance of ∼7.6 Ω·s·q(-1) and a work function of 5.3 eV after UVO treatment. The NAN electrode shows excellent surface morphology and good thermal, humidity, and environmental stabilities. Only a small change in sheet resistance can be found after NAN electrode is preserved in air for 1 year. The power conversion efficiencies of organic photovoltaic cells with NAN electrodes deposited on glass and polyethylene terephthalate (PET) substrates are 6.07 and 5.55%, respectively, which are competitive with those of indium tin oxide (ITO)-based devices. Good photoelectric properties, the low-cost material, and the room-temperature deposition process imply that NAN electrode is a striking candidate for low-cost and flexible transparent electrode for efficient flexible optoelectronic devices.

An anti-VEGF ribozyme embedded within the adenoviral VAI sequence inhibits glioblastoma cell angiogenic potential in vitro.

PubMed

Ciafrè, Silvia Anna; Niola, Francesco; Wannenes, Francesca; Farace, Maria Giulia

2004-01-01

Vascular endothelial growth factor (VEGF) plays an important role in tumor angiogenesis, where it functions as one of the major angiogenic factors sustaining growth and draining catabolites. In this study, we developed an anti-VEGF ribozyme targeted to the 5' part of human VEGF mRNA. We endowed this ribozyme with an additional feature expected to improve its activity in vivo, by cloning it into a VAI transcriptional cassette. VAI is originally part of the adenovirus genome, and is characterized by high transcription rates, good stability due to its strong secondary structure and cytoplasmic localization. Transfection of U87 human glioblastoma cells with plasmid vectors encoding for this ribozyme resulted in a strong (-56%) reduction of VEGF secreted in the extracellular medium, indicating a good biological activity of the ribozyme. Moreover, this reduction in VEGF secretion had the important functional consequence of drastically diminishing the formation of tube-like structures of human umbilical vascular endothelial cells in a Matrigel in vitro angiogenesis assay. In conclusion, our VAI-embedded anti-VEGF ribozyme is a good inhibitor of angiogenesis in vitro, in a glioblastoma cell context. Thus, it may represent a useful tool for future applications in vivo, for antiangiogenic gene therapy of glioblastoma and of highly vascularized tumors. Copyright 2004 S. Karger AG, Basel

Structural, microstructural and electrochemical properties of dispersed-type polymer nanocomposite films

NASA Astrophysics Data System (ADS)

Arya, Anil; Sharma, A. L.

2018-01-01

Free-standing solid polymer nanocomposite (PEO-PVC)  +  LiPF6-TiO2 films have been prepared through a standard solution-cast technique. The improvement in structural, microstructural and electrochemical properties has been observed on the dispersion of nanofiller in polymer salt complex. X-ray diffraction studies clearly reflect the formation of complex formation, as no corresponding salt peak appeared in the diffractograms. The Fourier transform infrared analysis suggested clear and convincing evidence of polymer-ion, ion-ion and polymer-ion-nanofiller interaction. The highest ionic conductivity of the prepared solid polymer electrolyte (SPE) films is ~5  ×  10-5 S cm-1 for 7 wt.% TiO2. The linear sweep voltammetry provides the electrochemical stability window of the prepared SPE films, about ~3.5 V. The ion transference number has been estimated, t ion  =  0.99 through the DC polarization technique. Dielectric spectroscopic studies were performed to understand the ion transport process in polymer electrolytes. All solid polymer electrolytes possess good thermal stability up to 300 °C. Differential scanning calorimetry analysis confirms the decrease of the melting temperature and signal of glass transition temperature with the addition of nanofiller, which indicates the decrease of crystallinity of the polymer matrix. An absolute correlation between diffusion coefficient (D), ion mobility (µ), number density (n), double-layer capacitance (C dl), glass transition temperature, melting temperature (T m), free ion area (%) and conductivity (σ) has been observed. A convincing model to study the role of nanofiller in a polymer salt complex has been proposed, which supports the experimental findings. The prepared polymer electrolyte system with significant ionic conductivity, high ionic transference number, and good thermal and voltage stability could be suggested as a potential candidate as electrolyte cum separator for the fabrication of a rechargeable lithium-ion battery system.

Free-standing anode of N-doped carbon nanofibers containing SnO{sub x} for high-performance lithium batteries

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

Zou, Mingzhong; Li, Jiaxin, E-mail: ljx3012982@yahoo.com; Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002

2014-12-15

Highlights: • Self-standing SnO{sub x} N-CNF electrodes were synthesized by electrospinning. • The SnO{sub x} N-CNFs anode exhibits high capacity, good cyclic stability, and excellent rate performance for lithium ion batteries. • The enhanced performance is ascribed to the synergetic effects between N-CNFs and SnO{sub x} nanoparticles. - Abstract: Free-standing paper of N-doped carbon nanofibers (NCNFs) containing SnO{sub x} was prepared by electrospinning. The structure and morphology of the sample were analyzed by XRD, XPS, SEM, and TEM. The results show that nitrogen atoms were successfully doped into CNFs. The SnO{sub x} were homogenously embedded in the N-doped CNFs viamore » annealing treatment. Subsequently, the SnO{sub x} NCNF paper was cut into disks and used as anodes for lithium ion batteries (LIBs). The anodes of SnO{sub x} NCNFs exhibit excellent cycling stability and show high capacity of 520 mA h g{sup −1} tested at a 200 mA g{sup −1} after 100 cycles. More importantly, at a high current density of 500 mA g{sup −1}, a large reversible capacity of 430 mA h g{sup −1} after 100 cycles can still be obtained. The good electrochemical performance should be attributed to the good electronic conductivity from the NCNFs and the synergistic effects from NCNFs and SnO{sub x} materials.« less

The Psychometric Parameters of the Farsi Form of the Arabic Scale of Death Anxiety

PubMed Central

Abdel-Khalek, Ahmed M.; Lester, David

2017-01-01

The aim of this study was to describe the psychometric properties of the Farsi Form of the Arabic Scale of Death Anxiety (ASDA). The original scale was first translated into Farsi by language experts using the back translation procedure and then administered to a total of 252 Iranian college students and 52 psychiatric outpatients from psychiatric and psychological clinics. The one-week test-retest reliability of the Farsi version in a sample of college students was 0.78, indicating good temporal stability and corroborating the trait-like nature of scores. Cronbach's α was 0.90 for the college students and 0.92 for the psychiatric outpatients, indicating high internal consistency. Scale scores correlated 0.46 with Death Obsession Scale scores, 0.56 with Death Depression Scale scores, 0.41 with Death Anxiety Scale scores, and 0.40 with Wish to be Dead Scale scores, indicating good construct and criterion-related validity. A principal component analysis with a Varimax rotation yielded four factors in the sample of Iranian college students, indicating a lack of homogeneity in the content of the scale. Male students obtained a significant higher mean score than did females. It was concluded that the Farsi ASDA had good internal consistency, temporal stability, criterion-related validity, and a factor structure reflecting important features of death anxiety. In general, the Farsi ASDA could be recommended for use in research on death anxiety among Iranian college students and psychiatric outpatients. PMID:28698887

The Psychometric Parameters of the Farsi Form of the Arabic Scale of Death Anxiety.

PubMed

Dadfar, Mahboubeh; Abdel-Khalek, Ahmed M; Lester, David; Atef Vahid, Mohammad Kazem

2017-01-01

The aim of this study was to describe the psychometric properties of the Farsi Form of the Arabic Scale of Death Anxiety (ASDA). The original scale was first translated into Farsi by language experts using the back translation procedure and then administered to a total of 252 Iranian college students and 52 psychiatric outpatients from psychiatric and psychological clinics. The one-week test-retest reliability of the Farsi version in a sample of college students was 0.78, indicating good temporal stability and corroborating the trait-like nature of scores. Cronbach's α was 0.90 for the college students and 0.92 for the psychiatric outpatients, indicating high internal consistency. Scale scores correlated 0.46 with Death Obsession Scale scores, 0.56 with Death Depression Scale scores, 0.41 with Death Anxiety Scale scores, and 0.40 with Wish to be Dead Scale scores, indicating good construct and criterion-related validity. A principal component analysis with a Varimax rotation yielded four factors in the sample of Iranian college students, indicating a lack of homogeneity in the content of the scale. Male students obtained a significant higher mean score than did females. It was concluded that the Farsi ASDA had good internal consistency, temporal stability, criterion-related validity, and a factor structure reflecting important features of death anxiety. In general, the Farsi ASDA could be recommended for use in research on death anxiety among Iranian college students and psychiatric outpatients.

High-performance 193-nm photoresist materials based on ROMA polymers: sub-90-nm contact hole application with resist reflow

NASA Astrophysics Data System (ADS)

Joo, Hyun S.; Seo, Dong C.; Kim, Chang M.; Lim, Young T.; Cho, Seong D.; Lee, Jong B.; Song, Ji Y.; Kim, Kyoung M.; Park, Joo H.; Jung, Jae Chang; Shin, Ki S.; Bok, Cheol Kyu; Moon, Seung C.

2004-05-01

There are numerous methods being explored by lithographers to achieve the patterning of sub-90nm contact hole features. Regarding optical impact on contact imaging, various optical extension techniques such as assist features, focus drilling, phase shift masks, and off-axis illumination are being employed to improve the aerial image. One possible option for improving of the process window in contact hole patterning is resist reflow. We have already reported the resist using a ring opened polymer of maleic anhydride unit(ROMA) during the past two years in this conference. It has several good properties such as UV transmittance, PED stability, solubility and storage stability. The resist using ROMA polymer as a matrix resin showed a good lithographic performance at C/H pattern and one of the best characteristics in a ROMA polymer is the property of thermal shrinkage. It has a specific glass transition temperature(Tg) each polymers, so they made a applying of resist reflow technique to print sub-90nm C/H possible. Recently, we have researched about advanced ROMA polymer(ROMA II), which is composed of cycloolefine derivatives with existing ROMA type polymer(ROMA I), for dry etch resistance increasing, high resolution, and good thermal shrinkage property. In this paper, we will present the structure, thermal shrinkage properties, Tg control, material properties for ROMA II polymer and will show characteristics, the lithographic performance for iso and dense C/H applications of the resist using ROMA II polymer. In addition, we will discuss resist reflow data gained at C/H profile of sub-90nm sizes, which has good process window.

A monomeric TIM-barrel structure from Pyrococcus furiosus is optimized for extreme temperatures.

PubMed

Repo, Heidi; Oeemig, Jesper S; Djupsjöbacka, Janica; Iwaï, Hideo; Heikinheimo, Pirkko

2012-11-01

The structure of phosphoribosyl anthranilate isomerase (TrpF) from the hyperthermophilic archaeon Pyrococcus furiosus (PfTrpF) has been determined at 1.75 Å resolution. The PfTrpF structure has a monomeric TIM-barrel fold which differs from the dimeric structures of two other known thermophilic TrpF proteins. A comparison of the PfTrpF structure with the two known bacterial thermophilic TrpF structures and the structure of a related mesophilic protein from Escherichia coli (EcTrpF) is presented. The thermophilic TrpF structures contain a higher proportion of ion pairs and charged residues compared with the mesophilic EcTrpF. These residues contribute to the closure of the central barrel and the stabilization of the barrel and the surrounding α-helices. In the monomeric PfTrpF conserved structural water molecules are mostly absent; instead, the structural waters are replaced by direct side-chain-main-chain interactions. As a consequence of these combined mechanisms, the P. furiosus enzyme is a thermodynamically stable and entropically optimized monomeric TIM-barrel enzyme which defines a good framework for further protein engineering for industrial applications.

Multilayer ZnO/Pd/ZnO Structure as Sensing Membrane for Extended-Gate Field-Effect Transistor (EGFET) with High pH Sensitivity

NASA Astrophysics Data System (ADS)

Rasheed, Hiba S.; Ahmed, Naser M.; Matjafri, M. Z.; Al-Hardan, Naif H.; Almessiere, Munirah Abdullah; Sabah, Fayroz A.; Al-Hazeem, Nabeel Z.

2017-10-01

Metal oxide nanostructures have attracted considerable attention as pH-sensitive membranes because of their unique advantages. Specifically, the special properties of ZnO thin film, including high surface-to-volume ratio, nontoxicity, thermal stability, chemical stability, electrochemical activity, and high mechanical strength, have attracted massive interest. ZnO exhibits wide bandgap of 3.37 eV, good biocompatibility, high reactivity, robustness, and environmental stability. These unique properties explain why ZnO has the most applications among all nanostructured metal oxides based on its structure and properties. Moreover, ZnO has excellent electrical characteristics, enabling its use in accurate sensors with rapid response. ZnO nanostructures can be used in novel pH and biomedical sensing applications. However, ZnO thin film exhibits large sheet resistance and low conductivity. Increasing the conductivity or reducing the resistivity of ZnO sensing membranes is important to achieve low impedance. We propose herein a new design using a multilayer ZnO/Pd/ZnO structure as a pH-sensing membrane. Multiple layers were deposited by radio frequency (RF) sputtering for ZnO and direct current (DC) sputtering for Pd to achieve low sheet resistance. These multilayers with low sheet resistance of 15.8 Ω/sq were then successfully used to control the conductivity in extended-gate field-effect transistors (EGFETs). The resulting multilayered EGFET pH-sensor demonstrated improved sensing performance. The measured sensitivity of the pH sensor was 40 μA/pH and 52 mV/pH within the pH range from 2 to 12, rendering this structure suitable for use in various applications, including pH sensors and biosensors.

Biological and physical factors controlling aggregate stability under different climatic conditions in Southern Spain.

NASA Astrophysics Data System (ADS)

Ángel Gabarrón-Galeote, Miguel; Damián Ruiz-Sinoga, Jose; Francisco Martinez-Murillo, Juan; Lavee, Hanoch

2013-04-01

Soil aggregation is a key factor determining the soil structure. The presence of stable aggregates is essential to maintain a good soil structure, that in turn plays an important role in sustaining agricultural productivity and preserving environmental quality. A wide range of physical and biological soil components are involved in the aggregate formation and stabilization, namely clay mineral content; the quantity and quality of organic matter, that can be derived from plants, fungal hyphae, microorganism and soil animals; and the soil water content. Climatic conditions, through their effect on soil water content, vegetation cover and organic matter content, are supposed to affect soil aggregation. Thus the main objective of this research is to analyse the effect of organic matter, clay content and soil water content on aggregate stability along a climatic transect in Southern Spain. This study was conducted in four catchments along a pluviometric gradient in the South of Spain (rainfall depth decreases from west to east from more than 1000 mm year-1 to less than 300 mm year-1) and was based on a methodology approximating the climatic gradient in Mediterranean conditions. The selected sites shared similar conditions of geology, topography and soil use, which allowed making comparisons among them and relating the differences to the pluviometric conditions. In February 2007, 250 disturbed and undisturbed samples from the first 5cm of the soil were collected along the transect. We measured the aggregate stability, organic matter, clay content and bulk density of every sample. In the field we measured rainfall, air temperature, relative humidity, wind speed, wind direction, solar radiation, potential evapotranspiration, soil water content, vegetation cover and presence of litter. Our results suggest that aggregate stability is a property determined by a great number of highly variable factors, which can make extremely difficult to predict its behavior taking in account only a few of them. The climate exerted a great influence in aggregate stability and could determine by itself the soil structure along the climate transect. As a result, properties unrelated in a specific point of the climate transect became highly associated if we took it into account completely. Along the climate transect analyzed could be defined two areas, separated by a threshold located between 573.6 mm y-1 and 335.9 mm y-1. In the wettest part soil structure was mainly determined by biotic factors and in the driest part was highly probable that abiotic factors play a key role determining aggregate stability.

Stabilization of cat paw trajectory during locomotion

PubMed Central

Klishko, Alexander N.; Farrell, Bradley J.; Beloozerova, Irina N.; Latash, Mark L.

2014-01-01

We investigated which of cat limb kinematic variables during swing of regular walking and accurate stepping along a horizontal ladder are stabilized by coordinated changes of limb segment angles. Three hypotheses were tested: 1) animals stabilize the entire swing trajectory of specific kinematic variables (performance variables); and 2) the level of trajectory stabilization is similar between regular and ladder walking and 3) is higher for forelimbs compared with hindlimbs. We used the framework of the uncontrolled manifold (UCM) hypothesis to quantify the structure of variance of limb kinematics in the limb segment orientation space across steps. Two components of variance were quantified for each potential performance variable, one of which affected it (“bad variance,” variance orthogonal to the UCM, VORT) while the other one did not (“good variance,” variance within the UCM, VUCM). The analysis of five candidate performance variables revealed that cats during both locomotor behaviors stabilize 1) paw vertical position during the entire swing (VUCM > VORT, except in mid-hindpaw swing of ladder walking) and 2) horizontal paw position in initial and terminal swing (except for the entire forepaw swing of regular walking). We also found that the limb length was typically stabilized in midswing, whereas limb orientation was not (VUCM ≤ VORT) for both limbs and behaviors during entire swing. We conclude that stabilization of paw position in early and terminal swing enables accurate and stable locomotion, while stabilization of vertical paw position in midswing helps paw clearance. This study is the first to demonstrate the applicability of the UCM-based analysis to nonhuman movement. PMID:24899676

Design, synthesis and structure-activity relationship evaluation of novel LpxC inhibitors as Gram-negative antibacterial agents.

PubMed

Ding, Shi; Dai, Rui-Yang; Wang, Wen-Ke; Cao, Qiao; Lan, Le-Fu; Zhou, Xian-Li; Yang, Yu-She

2018-01-15

LpxC inhibitors are new-type antibacterial agents developed in the last twenty years, mainly against Gram-negative bacteria infections. To develop novel LpxC inhibitors with good antibacterial activities and biological metabolism, we summarized the basic skeleton of reported LpxC inhibitors, designed and synthesized several series of compounds and tested their antibacterial activities against Escherichial coli and Pseudomonas aeruginosa in vitro. Structure-activity relationships have been discussed in this article. The metabolism stability of YDL-2, YDL-5, YDL-8, YDL-14, YDL-20-YDL-23 have been evaluated in liver microsomes, which indicated that the 2-amino isopropyl group may be a preferred structure than the 2-hydroxy ethyl group in the design of LpxC inhibitors. Copyright © 2017 Elsevier Ltd. All rights reserved.

SERS detection of R6G based on a novel graphene oxide/silver nanoparticles/silicon pyramid arrays structure.

PubMed

Zhang, C; Jiang, S Z; Huo, Y Y; Liu, A H; Xu, S C; Liu, X Y; Sun, Z C; Xu, Y Y; Li, Z; Man, B Y

2015-09-21

We present a novel surface-enhanced Raman scattering (SERS) substrate based on graphene oxide/silver nanoparticles/silicon pyramid arrays structure (GO/Ag/PSi). The SERS behaviors are discussed and compared by the detection of R6G. Based on the contrast experiments with PSi, GO/PSi, Ag/PSi and GO/AgA/PSi as SERS substrate, the perfect bio-compatibility, good homogeneity and chemical stability were confirmed. We also calculated the electric field distributions using Finite-difference time-domain (FDTD) analysis to further understand the GO/Ag/PSi structure as a perfect SERS platform. These experimental and theoretical results imply that the GO/Ag/PSi with regular pyramids array is expected to be an effective substrate for label-free sensitive SERS detections in areas of medicine, food safety and biotechnology.

Preparation and biological properties of a novel composite scaffold of nano-hydroxyapatite/chitosan/carboxymethyl cellulose for bone tissue engineering

PubMed Central

Liuyun, Jiang; Yubao, Li; Chengdong, Xiong

2009-01-01

In this study, we report the physico-chemical and biological properties of a novel biodegradable composite scaffold made of nano-hydroxyapatite and natural derived polymers of chitosan and carboxymethyl cellulose, namely, n-HA/CS/CMC, which was prepared by freeze-drying method. The physico-chemical properties of n-HA/CS/CMC scaffold were tested by infrared absorption spectra (IR), transmission electron microscope(TEM), scanning electron microscope(SEM), universal material testing machine and phosphate buffer solution (PBS) soaking experiment. Besides, the biological properties were evaluated by MG63 cells and Mesenchymal stem cells (MSCs) culture experiment in vitro and a short period implantation study in vivo. The results show that the composite scaffold is mainly formed through the ionic crossing-linking of the two polyions between CS and CMC, and n-HA is incorporated into the polyelectrolyte matrix of CS-CMC without agglomeration, which endows the scaffold with good physico-chemical properties such as highly interconnected porous structure, high compressive strength and good structural stability and degradation. More important, the results of cells attached, proliferated on the scaffold indicate that the scaffold is non-toxic and has good cell biocompatibility, and the results of implantation experiment in vivo further confirm that the scaffold has good tissue biocompatibility. All the above results suggest that the novel degradable n-HA/CS/CMC composite scaffold has a great potential to be used as bone tissue engineering material. PMID:19594953

A miniature extrinsic fiber Fabry-Perot pressure sensor based on fiber etching

NASA Astrophysics Data System (ADS)

Ge, Yixian; Zhou, Junping; Wang, Tingting

2011-11-01

A miniature fiber optic pressure sensor based on Fabry-Perot interference fabricated on the tip of a single mode (SM) fiber is presented. The sensor measures only 125μm in diameter. A Fabry-Perot cavity and a thin silica diaphragm are fabricated by simple techniques involving only cleaving, wet chemical etching and fusion splicing. Interference pattern of the sensor is analyzed and issues in sensor design are discussed. The overall chemical reaction of the fiber wet etching is specifically represented. Pressure testing system is carried out. By tracing a peak point in the interference spectrum, the gap length of the sensor can be demodulated. Experimental results show the sensor has a good linearity. The sensor is made entirely of fused silica, whose structure has good stability, cabinet, simple for fabrication and low cost.

One-Pot Synthesis of Lithium-Rich Cathode Material with Hierarchical Morphology.

PubMed

Luo, Kun; Roberts, Matthew R; Hao, Rong; Guerrini, Niccoló; Liberti, Emanuela; Allen, Christopher S; Kirkland, Angus I; Bruce, Peter G

2016-12-14

Lithium-rich transition metal oxides, Li 1+x TM 1-x O 2 (TM, transition metal), have attracted much attention as potential candidate cathode materials for next generation lithium ion batteries because their high theoretical capacity. Here we present the synthesis of Li[Li 0.2 Ni 0.2 Mn 0.6 ]O 2 using a facile one-pot resorcinol-formaldehyde method. Structural characterization indicates that the material adopts a hierarchical porous morphology consisting of uniformly distributed small pores and disordered large pore structures. The material exhibits excellent electrochemical cycling stability and a good retention of capacity at high rates. The material has been shown to be both advantageous in terms of gravimetric and volumetric capacities over state of the art commercial cathode materials.

Bonding and Microstructural Stability in Ni55Ti45 Studied by Experimental and Theoretical Methods

NASA Technical Reports Server (NTRS)

Stott, Amanda C.; Brauer, Jonathan I.; Garg, Anita; Pepper, Stephen V.; Abel, Phillip B.; DellaCorte, Christopher; Noebe, Ronald D.; Glennon, Glenn; Bylaska, Eric; Dixon, David A.

2010-01-01

Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

Experimental comparison of chiral metal-organic framework used as stationary phase in chromatography.

PubMed

Xie, Sheng-Ming; Zhang, Mei; Fei, Zhi-Xin; Yuan, Li-Ming

2014-10-10

Chiral metal-organic frameworks (MOFs) are a new class of multifunctional material, which possess diverse structures and unusual properties such as high surface area, uniform and permanent cavities, as well as good chemical and thermal stability. Their chiral functionality makes them attractive as novel enantioselective adsorbents and stationary phases in separation science. In this paper, the experimental comparison of a chiral MOF [In₃O(obb)₃(HCO₂)(H₂O)] solvent used as a stationary phase was investigated in gas chromatography (GC), high-performance liquid chromatography (HPLC) and capillary electrochromatography (CEC). The potential relationship between the structure and components of chiral MOFs with their chiral recognition ability and selectivity are presented. Copyright © 2014 Elsevier B.V. All rights reserved.

High-performance tin oxide-nitrogen doped graphene aerogel hybrids as anode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Tan, Chunhui; Cao, Jing; Khattak, Abdul Muqsit; Cai, Feipeng; Jiang, Bo; Yang, Gai; Hu, Suqin

2014-12-01

Tin dioxide nanoparticles on nitrogen doped graphene aerogel (SnO2-NGA) hybrid are synthesized by one-step hydrothermal method and successfully applied in lithium-ion batteries as a free-standing anode. The electrochemical performance of SnO2-NGA hybrid is investigated by galvanostatic charge-discharge cycling, rate capability test, cyclic voltammetry and electrochemical impedance spectroscopy. It is found that the SnO2-NGA hybrid with freestanding spongy-like structure exhibit remarkable lithium storage capacity (1100 mAh g-1 after 100 cycles), good cycling stability and high rate capability. The outstanding performance is attributed to the uniform SnO2 nanoparticles, unique spongy-like structure and N doping defect for Li+ diffusion.

Nickel-free austenitic stainless steels for medical applications.

PubMed

Yang, Ke; Ren, Yibin

2010-02-01

The adverse effects of nickel ions being released into the human body have prompted the development of high-nitrogen nickel-free austenitic stainless steels for medical applications. Nitrogen not only replaces nickel for austenitic structure stability but also much improves steel properties. Here we review the harmful effects associated with nickel in medical stainless steels, the advantages of nitrogen in stainless steels, and emphatically, the development of high-nitrogen nickel-free stainless steels for medical applications. By combining the benefits of stable austenitic structure, high strength and good plasticity, better corrosion and wear resistances, and superior biocompatibility compared to the currently used 316L stainless steel, the newly developed high-nitrogen nickel-free stainless steel is a reliable substitute for the conventional medical stainless steels.

Nickel-free austenitic stainless steels for medical applications

PubMed Central

Yang, Ke; Ren, Yibin

2010-01-01

The adverse effects of nickel ions being released into the human body have prompted the development of high-nitrogen nickel-free austenitic stainless steels for medical applications. Nitrogen not only replaces nickel for austenitic structure stability but also much improves steel properties. Here we review the harmful effects associated with nickel in medical stainless steels, the advantages of nitrogen in stainless steels, and emphatically, the development of high-nitrogen nickel-free stainless steels for medical applications. By combining the benefits of stable austenitic structure, high strength and good plasticity, better corrosion and wear resistances, and superior biocompatibility compared to the currently used 316L stainless steel, the newly developed high-nitrogen nickel-free stainless steel is a reliable substitute for the conventional medical stainless steels. PMID:27877320

Nitrogen-Superdoped 3D Graphene Networks for High-Performance Supercapacitors.

PubMed

Zhang, Weili; Xu, Chuan; Ma, Chaoqun; Li, Guoxian; Wang, Yuzuo; Zhang, Kaiyu; Li, Feng; Liu, Chang; Cheng, Hui-Ming; Du, Youwei; Tang, Nujiang; Ren, Wencai

2017-09-01

An N-superdoped 3D graphene network structure with an N-doping level up to 15.8 at% for high-performance supercapacitor is designed and synthesized, in which the graphene foam with high conductivity acts as skeleton and nested with N-superdoped reduced graphene oxide arogels. This material shows a highly conductive interconnected 3D porous structure (3.33 S cm -1 ), large surface area (583 m 2 g -1 ), low internal resistance (0.4 Ω), good wettability, and a great number of active sites. Because of the multiple synergistic effects of these features, the supercapacitors based on this material show a remarkably excellent electrochemical behavior with a high specific capacitance (of up to 380, 332, and 245 F g -1 in alkaline, acidic, and neutral electrolytes measured in three-electrode configuration, respectively, 297 F g -1 in alkaline electrolytes measured in two-electrode configuration), good rate capability, excellent cycling stability (93.5% retention after 4600 cycles), and low internal resistance (0.4 Ω), resulting in high power density with proper high energy density. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Porous WO3/graphene/polyester textile electrode materials with enhanced electrochemical performance for flexible solid-state supercapacitors.

PubMed

Jin, Li-Na; Liu, Ping; Jin, Chun; Zhang, Jia-Nan; Bian, Shao-Wei

2018-01-15

In this work, a flexible and porous WO 3 /grapheme/polyester (WO 3 /G/PT) textile electrode was successfully prepared by in situ growing WO 3 on the fiber surface inside G/PT composite fabrics. The unique electrode structure facilitates to enhance the energy storage performance because the 3D conductive network constructed by the G/PT increase the electron transportation rate, nanotructured WO 3 exposed enhanced electrochemically active surface area and the hierarchically porous structure improved the electrolyte ion diffusion rate. The optimized WO 3 /G/PT textile electrode exhibited good electrochemical performance with a high areal capacitance of 308.2mFcm -2 at a scan rate of 2mVs -1 and excellent cycling stability. A flexible asymmetric supercapacitor (ASC) device was further fabricated by using the WO 3 /G/PT electrode and G/PT electrode, which exhibited a good specific capacitance of 167.6mFcm -3 and high energy density of 60μWhcm -3 at the power density of 2320 μWcm -3 . Copyright © 2017 Elsevier Inc. All rights reserved.

Co(x)Ni(4-x)Sb(12-y)Sn(y) Ternary Skutterudites: Processing and Thermoelectric Properties

NASA Technical Reports Server (NTRS)

Mackey, Jon; Sehirlioglu, Alp; Dynys, Fred

2014-01-01

Skutterudites have proven to be a useful thermoelectric system as a result of their high figure of merit, favorable mechanical properties, and good thermal stability. Binary skutterudites have received the majority of interest in recent years, as a result of successful double and triple filling schemes. Ternary skutterudites, such as Ni4Sb7Sn5, also demonstrate good thermoelectric performance, with high power factor and low thermal conductivity. Ternary skutterudites, as contrasted to binary systems, provide more possibility for tuning electronic structure as substitutions can be studied on three elements. The Co(x)Ni(4-x)Sb(12-y)Sn(y) system has been investigated as both a p- and n-type thermoelectric material, stable up to 200 C. The system is processed through a combination of solidification, mechanical alloying, and hot pressing steps. Rietveld structure refinement has revealed an interesting occupancy of Sn on both the 24g Wyckoff position with Sb as well as the 2a position as a rattler. In addition to thermoelectric properties, detailed processing routes have been investigated on the system.

Comparison of Selective Laser Melted Titanium and Magnesium Implants Coated with PCL

PubMed Central

Matena, Julia; Petersen, Svea; Gieseke, Matthias; Teske, Michael; Beyerbach, Martin; Kampmann, Andreas; Escobar, Hugo Murua; Gellrich, Nils-Claudius; Haferkamp, Heinz; Nolte, Ingo

2015-01-01

Degradable implant material for bone remodeling that corresponds to the physiological stability of bone has still not been developed. Promising degradable materials with good mechanical properties are magnesium and magnesium alloys. However, excessive gas production due to corrosion can lower the biocompatibility. In the present study we used the polymer coating polycaprolactone (PCL), intended to lower the corrosion rate of magnesium. Additionally, improvement of implant geometry can increase bone remodeling. Porous structures are known to support vessel ingrowth and thus increase osseointegration. With the selective laser melting (SLM) process, defined open porous structures can be created. Recently, highly reactive magnesium has also been processed by SLM. We performed studies with a flat magnesium layer and with porous magnesium implants coated with polymers. The SLM produced magnesium was compared with the titanium alloy TiAl6V4, as titanium is already established for the SLM-process. For testing the biocompatibility, we used primary murine osteoblasts. Results showed a reduced corrosion rate and good biocompatibility of the SLM produced magnesium with PCL coating. PMID:26068455

Mesoporous silica wrapped with graphene oxide-conducting PANI nanowires as a novel hybrid electrode for supercapacitor

NASA Astrophysics Data System (ADS)

Javed, Mohsin; Abbas, Syed Mustansar; Siddiq, Mohammad; Han, Dongxue; Niu, Li

2018-02-01

A high charge-carrier transport is an important aim in the synthesis of nanostructures for an effective supercapacitor. This article describes a methodology to prepare mesoporous silica nanoparticles (MSNs) wrapped with graphene oxide (GO) together with conducting polyaniline (PANI) wires. The morphology and chemical structure of the prepared samples have been tested by transmission electron microscopy (TEM), high-resolution TEM (HRTEM), and X-ray diffraction (XRD), whereas the stability and electrostatic interaction of the structures have been verified by thermogravimetric analysis (TGA) and Fourier-transform infrared (FT-IR) spectroscopy, respectively. The supercapacitive behaviour of these nanocomposites has been analysed by cyclic voltammetry (CV), charge-discharge tests, and electrochemical impedance spectroscopy (EIS). Compared with pristine MSNs and PANI, the 20%-GO@MSNs/PANI nanocomposite had the highest specific capacitance, reaching 412 F g-1. The nanocomposite structure maximizes the synergy between mesoporous metal oxide, conducting PANI, and GO, yielding a significantly enhanced specific capacitance, rapid charge-discharge rates, and good cycling stability of the resulting device. The wrapping with GO prevents the structural breakdown and acts as a highly conductive pathway by bridging the individual particles, whereas the MSNs nanoparticles greatly enlarge the specific surface area to facilitate ion transport and charge transfer throughout the cycling performance of supercapacitor. The approach adopted in this article can be applied for preparing similar novel functional materials in future for electrochemical applications.

Porous carbon with a large surface area and an ultrahigh carbon purity via templating carbonization coupling with KOH activation as excellent supercapacitor electrode materials

NASA Astrophysics Data System (ADS)

Sun, Fei; Gao, Jihui; Liu, Xin; Pi, Xinxin; Yang, Yuqi; Wu, Shaohua

2016-11-01

Large surface area and good structural stability, for porous carbons, are two crucial requirements to enable the constructed supercapacitors with high capacitance and long cycling lifespan. Herein, we successfully prepare porous carbon with a large surface area (3175 m2 g-1) and an ultrahigh carbon purity (carbon atom ratio of 98.25%) via templating carbonization coupling with KOH activation. As-synthesized MTC-KOH exhibits excellent performances as supercapacitor electrode materials in terms of high specific capacitance and ultrahigh cycling stability. In a three electrode system, MTC-KOH delivers a high capacitance of 275 F g-1 at 0.5 A g-1 and still 120 F g-1 at a high rate of 30 A g-1. There is almost no capacitance decay even after 10,000 cycles, demonstrating outstanding cycling stability. In comparison, pre-activated MTC with a hierarchical pore structure shows a better rate capability than microporous MTC-KOH. Moreover, the constructed symmetric supercapacitor using MTC-KOH can achieve high energy densities of 8.68 Wh kg-1 and 4.03 Wh kg-1 with the corresponding power densities of 108 W kg-1 and 6.49 kW kg-1, respectively. Our work provides a simple design strategy to prepare highly porous carbons with high carbon purity for supercapacitors application.

Aggregation and C dynamics along an elevation gradient in carbonate-containing grassland soils of the Alps

NASA Astrophysics Data System (ADS)

Garcia-Franco, Noelia; Wiesmeier, Martin; Kiese, Ralf; Dannenmann, Michael; Wolf, Benjamin; Zistl-Schlingmann, Marcus; Kögel-Knabner, Ingrid

2017-04-01

C sequestration in mountainous grassland soils is regulated by physical, chemical and biological soil process. An improved knowledge of the relationship between these stabilization mechanisms is decisive to recommend the best management practices for climate change mitigation. In this regard, the identification of a successful indicator of soil structural improvement and C sequestration in mountainous grassland soils is necessary. Alpine and pre-alpine grassland soils in Bavaria represent a good example for mountainous grassland soils faced with climate change. We sampled grassland soils of the northern limestone alps in Bavaria along an elevation gradient from 550 to 1300 m above sea level. We analyzed C dynamics by a comparative analysis of the distribution of C according to aggregate size classes: large-macroaggregates (> 2000 µm), small-macroaggregates (250-2000 µm), microaggregates (63-250 µm), silt plus clay particles (<63 µm) and bulk soil. Our preliminary results showed higher C content and changed water-stable aggregate distribution in the high elevation sites compared to lower elevations. Magnesium carbonate seem to play an important role in stabilizing macroaggregates formed from fresh OM. In addition, the isolation of occluded microaggregates within macroaggregates will help us to improve our understanding on the effects of climate change on soil structure and on the sensitivity of different C stabilization mechanisms present in mountainous soils.

Raman studies of nanocomposites catalysts: temperature and pressure effects of CeAl, CeMn and NiAl oxides

NASA Astrophysics Data System (ADS)

da Silva, Antonio N.; Neto, Antonio B. S.; Oliveira, Alcemira C.; Junior, Manoel C.; Junior, Jose A. L.; Freire, Paulo T. C.; Filho, Josué M.; Oliveira, Alcineia C.; Lang, Rossano

2018-06-01

High temperature and pressure effects on the physicochemical properties of binary oxides catalysts were investigated. The nanocomposites catalysts comprising of CeAl, CeMn and NiAl were characterized through various physicochemical techniques. A study of the temperature and pressure induced phenomena monitored by Raman spectroscopy was proposed and discussed. Spectral modifications of the Raman modes belonging to the CeMn suggest structural changes in the solid due to the MnO2 phase oxidation with increasing temperature. The thermal expansion and lattice anharmonicity effects were observed on CeMn due to lack of stability of the lattice vacancies. The CeAl and NiAl composites presented crystallographic stability at low temperatures however, undertake a phase transformation of NiO/Al2O3 into NiAl2O4, mostly without any deformation in its structure with increasing the temperature. It was also inferred that the binary oxides are more stables in comparison with monoxides. Detailed pressure-dependent Raman measurements of the T2g phonon mode of CeMn and NiAl revealed that the pressure contributes to modify bonds length and reduces the particles sizes of the solids. On the contrary, high pressure on CeAl sample improved the stability with addition of Al2O3 in the CeO2 lattice. The results then suggest a good stability of CeAl and NiAl composite catalysts at high pressure and low temperature and show how to prospect of tuning the catalysis for surface reactions entirely through in situ spectroscopic investigations means.

Predicting the thermodynamic stability of double-perovskite halides from density functional theory

DOE PAGES

Han, Dan; Zhang, Tao; Huang, Menglin; ...

2018-05-24

Recently, a series of double-perovskite halide compounds such as Cs 2AgBiCl 6 and Cs 2AgBiBr 6 have attracted intensive interest as promising alternatives to the solar absorber material CH 3NH 3PbI 3 because they are Pb-free and may exhibit enhanced stability. The thermodynamic stability of a number of double-perovskite halides has been predicted based on density functional theory (DFT) calculations of compound formation energies. In this paper, we found that the stability prediction can be dependent on the approximations used for the exchange-correlation functionals, e.g., the DFT calculations using the widely used Perdew, Burke, Ernzerhof (PBE) functional predict that Csmore » 2AgBiBr 6 is thermodynamically unstable against phase-separation into the competing phases such as AgBr, Cs 2AgBr 3, Cs 3Bi 2Br 9, etc., obviously inconsistent with the good stability observed experimentally. The incorrect prediction by the PBE calculation results from its failure to predict the correct ground-state structures of AgBr, AgCl, and CsCl. By contrast, the DFT calculations based on local density approximation, optB86b-vdW, and optB88-vdW functionals predict the ground-state structures of these binary halides correctly. Furthermore, the optB88-vdW functional is found to give the most accurate description of the lattice constants of the double-perovskite halides and their competing phases. Given these two aspects, we suggest that the optB88-vdW functional should be used for predicting thermodynamic stability in the future high-throughput computational material design or the construction of the Materials Genome database for new double-perovskite halides. As a result, using different exchange-correlation functionals has little influence on the dispersion of the conduction and the valence bands near the electronic bandgap; however, the calculated bandgap can be affected indirectly by the optimized lattice constant, which varies for different functionals.« less

Predicting the thermodynamic stability of double-perovskite halides from density functional theory

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

Han, Dan; Zhang, Tao; Huang, Menglin

Recently, a series of double-perovskite halide compounds such as Cs 2AgBiCl 6 and Cs 2AgBiBr 6 have attracted intensive interest as promising alternatives to the solar absorber material CH 3NH 3PbI 3 because they are Pb-free and may exhibit enhanced stability. The thermodynamic stability of a number of double-perovskite halides has been predicted based on density functional theory (DFT) calculations of compound formation energies. In this paper, we found that the stability prediction can be dependent on the approximations used for the exchange-correlation functionals, e.g., the DFT calculations using the widely used Perdew, Burke, Ernzerhof (PBE) functional predict that Csmore » 2AgBiBr 6 is thermodynamically unstable against phase-separation into the competing phases such as AgBr, Cs 2AgBr 3, Cs 3Bi 2Br 9, etc., obviously inconsistent with the good stability observed experimentally. The incorrect prediction by the PBE calculation results from its failure to predict the correct ground-state structures of AgBr, AgCl, and CsCl. By contrast, the DFT calculations based on local density approximation, optB86b-vdW, and optB88-vdW functionals predict the ground-state structures of these binary halides correctly. Furthermore, the optB88-vdW functional is found to give the most accurate description of the lattice constants of the double-perovskite halides and their competing phases. Given these two aspects, we suggest that the optB88-vdW functional should be used for predicting thermodynamic stability in the future high-throughput computational material design or the construction of the Materials Genome database for new double-perovskite halides. As a result, using different exchange-correlation functionals has little influence on the dispersion of the conduction and the valence bands near the electronic bandgap; however, the calculated bandgap can be affected indirectly by the optimized lattice constant, which varies for different functionals.« less

High-temperature Y267 EPDM elastomer: field and laboratory experiences, August 1981

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

Hirasuna, A.R.; Friese, G.J.; Stephens, C.A.

1982-03-01

Experiences which indicate the superiority of Y267 EPDM elastomer for high-temperature brines and other environments uses are summarized. Its good processing qualities, extremely good thermochemical stability, extremely good mechanical properties, its low-cost constituents, and its good performance in hydrocarbons are described in some case histories. (MCW)

Effect of tungsten on the phase-change properties of Ge8Sb2Te11 thin films for the phase-change device

NASA Astrophysics Data System (ADS)

Park, Cheol-Jin; Kong, Heon; Lee, Hyun-Yong; Yeo, Jong-Bin

2017-07-01

In this study, the electrical, optical, and structural properties of tungsten (W)-doped Ge8Sb2Te11 thin films were investigated. Previously, GeSbTe alloys were doped with various materials in an attempt to improve the thermal stability. Ge8Sb2Te11 and W-doped Ge8Sb2Te11 films with a thickness of 200 nm were fabricated by using an RF magnetron reactive co-sputtering system at room temperature on Si ( p-type, 100) and glass substrate. The fabricated thin films were annealed in a furnace in the 0 - 400 ° C temperature range. The optical properties were analyzed using a UV-Vis-IR spectrophotometer, and by using Beer's Law equation, the optical-energy band gap ( E op ), slope B 1/2, and slope 1/ F were calculated. For the crystalline materials, an increase in the slope B 1/2 and 1/ F was observed, exhibiting a good effect on the thermal stability in the amorphous state after the phase change. The structural properties were analyzed by X-ray diffraction, and the result showed that the W-doped Ge8Sb2Te11 had a face-centered-cubic (fcc) crystalline structure increased crystallization temperature ( T c ). An increase in the T c increased the thermal stability in the amorphous state. The electrical properties were analyzed using a 4-point probe, exhibiting an increase in the sheet resistance ( R s ) in the amorphous and the crystalline states indicating a reduced programming current in the memory device.

Effect of Ni content on the morphological evolution of Ni-YSZ solid oxide fuel cell electrodes

DOE PAGES

Chen-Wiegart, Yu-chen Karen; Kennouche, David; Scott Cronin, J.; ...

2016-02-25

The coarsening of Ni in Ni–yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors.more » Here in this paper, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. In conclusion, the finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.« less

Effect of Ni content on the morphological evolution of Ni-YSZ solid oxide fuel cell electrodes

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

Chen-Wiegart, Yu-chen Karen; Kennouche, David; Scott Cronin, J.

The coarsening of Ni in Ni–yttria-stabilized zirconia (YSZ) anodes is a potential cause of long term solid oxide fuel cells (SOFC) performance degradation. The specifics of the Ni-YSZ structure—including Ni/YSZ ratio, porosity, and particle size distributions—are normally selected to minimize anode polarization resistance, but they also impact long-term stability. A better understanding of how these factors influence long-term stability is important for designing more durable anodes. The effect of structural details, e.g., Ni-YSZ ratio, on Ni coarsening has not been quantified. Furthermore, prior measurements have been done by comparing evolved structures with control samples, such that sample-to-sample variations introduce errors.more » Here in this paper, we report a four dimensional (three spatial dimensions and time) study of Ni coarsening in Ni-YSZ anode functional layers with different Ni/YSZ ratios, using synchrotron x-ray nano-tomography. The continuous structural evolution was observed and analyzed at sub-100 nm resolution. It is shown quantitatively that increasing the Ni/YSZ ratio increases the Ni coarsening rate. This is due to both increased pore volume and a decrease in the YSZ volume fraction, such that there is more free volume and a less obtrusive YSZ network, both of which allow greater Ni coarsening. The results are shown to be in good agreement with a power-law coarsening model. In conclusion, the finding is critical for informing the design of SOFC electrode microstructures that limit coarsening and performance degradation.« less

C 90 temperature effects on relative stabilities of the IPR isomers

NASA Astrophysics Data System (ADS)

Slanina, Zdeněk; Zhao, Xiang; Lee, Shyi-Long; Ōsawa, Eiji

1997-07-01

The complete set of 46 isolated-pentagon-rule (IPR) isomers of C 90 is treated by the SAMI quantum-chemical method (Semi-Ab-Initio Model 1), and their energetics is also checked by ab initio SCF computations (HF/3-21G, HF/4-31G) and the AM1 and PM3 semiempirical methods. All the methods point out a C2 species as the system state (with an exception at the HF/3-21G level). However, the energetics itself is not able to produce a good agreement with recent observations (one C2 v, three C2, and one C1, separeted into three HPLC fractions). The symmetries of the five SAM1 lowest-energy structures are: C2, C2 v, Cs, D5 h, C1. In order to respect temperature effects on relative stabilities, entropy contributions are also computed and significant changes are found. The symmetries of the five structures most populated in a high-temperature region are according to the SAM1 computations: two times C2, Cs, C2 v, C1. One of the recently reported HPLC fractions shows 70 lines in the 13C NMR spectrum, assigned to a C2 species (45 lines) and C2 v species (25 lines, 5 weaker). There is however an alternative interpretation of the spectrum: a Cs (46 lines, 2 weaker) and a C2 v species (24 lines, 3 weaker). The last two structures are indeed present in the SAM1 high-temperature stability set so that agreement between observations and calculations can be achieved.

Enhanced stability and dermal delivery of hydroquinone using solid lipid nanoparticles.

PubMed

Ghanbarzadeh, Saeed; Hariri, Reza; Kouhsoltani, Maryam; Shokri, Javad; Javadzadeh, Yousef; Hamishehkar, Hamed

2015-12-01

Hydroquinone (HQ), a well-known anti-hyperpigmentation agent suffers from (a) instability due to rapid oxidation, (b) insufficient skin penetration because of hydrophilic structure, and (c) severe side effects as a results of systemic absorption. This study aimed to load HQ into solid lipid nanoparticles (SLNs) to overcome the mentioned drawbacks for the efficient treatment of hyperpigmentation. The optimized SLN formulation was prepared by hot melt homogenization method and fully characterized by various techniques. The ability of SLNs in dermal delivery of HQ was assessed through the excised rat skin. The optimized HQ-loaded SLNs (particle size of 86 nm, encapsulation efficiency% of 89.5% and loading capacity% of 11.2%) exhibited a good physicochemical stability during a period of five months. XRD and DSC results showed that HQ was dispersed in an amorphous state, confirming uniform drug dispersion in the SLNs structure and embedment of drug in the solid lipid matrix. In vitro penetration studies showed almost 3 times higher drug accumulation in the skin and 6.5 times lower drug entrance to receiving compartment of Franz diffusion cell from HQ-loaded SLN hydrogel compared with HQ Carbopol made hydrogel. These results indicated the better HQ localization in the skin and its lower systemic absorption. It was concluded that SLN is a promising colloidal drug carrier for topical administration of HQ in the treatment of hyperpigmentation due to suitable HQ loading value in spite of its hydrophilic structure, high stability against oxidation and appropriate skin penetration along with the low systemic absorption. Copyright © 2015 Elsevier B.V. All rights reserved.

The response to selection in Glycoside Hydrolase Family 13 structures: A comparative quantitative genetics approach.

PubMed

Hleap, Jose Sergio; Blouin, Christian

2018-01-01

The Glycoside Hydrolase Family 13 (GH13) is both evolutionarily diverse and relevant to many industrial applications. Its members hydrolyze starch into smaller carbohydrates and members of the family have been bioengineered to improve catalytic function under industrial environments. We introduce a framework to analyze the response to selection of GH13 protein structures given some phylogenetic and simulated dynamic information. We find that the TIM-barrel (a conserved protein fold consisting of eight α-helices and eight parallel β-strands that alternate along the peptide backbone, common to all amylases) is not selectable since it is under purifying selection. We also show a method to rank important residues with higher inferred response to selection. These residues can be altered to effect change in properties. In this work, we define fitness as inferred thermodynamic stability. We show that under the developed framework, residues 112Y, 122K, 124D, 125W, and 126P are good candidates to increase the stability of the truncated α-amylase protein from Geobacillus thermoleovorans (PDB code: 4E2O; α-1,4-glucan-4-glucanohydrolase; EC 3.2.1.1). Overall, this paper demonstrates the feasibility of a framework for the analysis of protein structures for any other fitness landscape.

The response to selection in Glycoside Hydrolase Family 13 structures: A comparative quantitative genetics approach

PubMed Central

2018-01-01

The Glycoside Hydrolase Family 13 (GH13) is both evolutionarily diverse and relevant to many industrial applications. Its members hydrolyze starch into smaller carbohydrates and members of the family have been bioengineered to improve catalytic function under industrial environments. We introduce a framework to analyze the response to selection of GH13 protein structures given some phylogenetic and simulated dynamic information. We find that the TIM-barrel (a conserved protein fold consisting of eight α-helices and eight parallel β-strands that alternate along the peptide backbone, common to all amylases) is not selectable since it is under purifying selection. We also show a method to rank important residues with higher inferred response to selection. These residues can be altered to effect change in properties. In this work, we define fitness as inferred thermodynamic stability. We show that under the developed framework, residues 112Y, 122K, 124D, 125W, and 126P are good candidates to increase the stability of the truncated α-amylase protein from Geobacillus thermoleovorans (PDB code: 4E2O; α-1,4-glucan-4-glucanohydrolase; EC 3.2.1.1). Overall, this paper demonstrates the feasibility of a framework for the analysis of protein structures for any other fitness landscape. PMID:29698417

Rational design of hierarchical ZnO@Carbon nanoflower for high performance lithium ion battery anodes

NASA Astrophysics Data System (ADS)

liu, Huichao; Shi, Ludi; Li, Dongzhi; Yu, Jiali; Zhang, Han-Ming; Ullah, Shahid; Yang, Bo; Li, Cuihua; Zhu, Caizhen; Xu, Jian

2018-05-01

The rational structure design and strong interfacial bonding are crucially desired for high performance zinc oxide (ZnO)/carbon composite electrodes. In this context, micro-nano secondary structure design and strong dopamine coating strategies are adopted for the fabrication of flower-like ZnO/carbon (ZnO@C nanoflowers) composite electrodes. The results show the ZnO@C nanoflowers (2-6 μm) are assembled by hierarchical ZnO nanosheets (∼27 nm) and continuous carbon framework. The micro-nano secondary architecture can facilitate the penetration of electrolyte, shorten lithium ions diffusion length, and hinder the aggregation of the nanosheets. Moreover, the strong chemical interaction between ZnO and coating carbon layer via C-Zn bond improves structure stability as well as the electronic conductivity. As a synergistic result, when evaluated as lithium ion batteries (LIBs) anode, the ZnO@C nanoflower electrodes show high reversible capacity of ca. 1200 mA h g-1 at 0.1 A g-1 after 80 cycles. As well as good long-cycling stability (638 and 420 mA h g-1 at 1 and 5 A g-1 after 500 cycles, respectively) and excellent rate capability. Therefore, this rational design of ZnO@C nanoflowers electrode is a promising anode for high-performance LIBs.

Synthesis of double-shelled sea urchin-like yolk-shell Fe3O4/TiO2/Au microspheres and their catalytic applications

NASA Astrophysics Data System (ADS)

Li, Jie; Tan, Li; Wang, Ge; Yang, Mu

2015-03-01

Double-shelled sea urchin-like yolk-shell Fe3O4/TiO2/Au microspheres were successfully synthesized through loading Au nanoparticles on the Fe3O4/TiO2 support by a in situ reduction of HAuCl4 with NaBH4 aqueous solution. These microspheres possess tunable cavity size, adjustable shell layers, high structural stability and large specific surface area. The Au nanoparticles of approximately 5 nm in diameter were loaded both on the TiO2 nanofibers and inside the cavities of sea urchin-like yolk-shell Fe3O4/TiO2 microspheres. The sea urchin-like structure composed of TiO2 nanofibers ensure the good distribution of the Au nanoparticles, while the novel double-shelled yolk-shell structure guarantees the high stability of the Au nanoparticles. Furthermore, the Fe3O4 magnetic core facilitates the convenient recovery of the catalyst by applying an external magnetic field. The Fe3O4/TiO2/Au microspheres display excellent activities and recycling properties in the catalytic reduction of 4-nitrophenol (4-NP): the rate constant is 1.84 min-1 and turnover frequency is 5457 h-1.

Role of magnetic and atomic ordering in the martensitic transformation of Ni-Mn-In from a first-principles study

NASA Astrophysics Data System (ADS)

Li, Chun-Mei; Luo, Hu-Bin; Hu, Qing-Miao; Yang, Rui; Johansson, Börje; Vitos, Levente

2012-12-01

The composition-dependent lattice parameters, crystal structure, elastic properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x (0≤x≤0.6) are studied by using first-principles calculations. It is shown that the martensitic phase transition (MPT) from cubic L21 to tetragonal L10 accompanies the MnMn-MnIn ferromagnetic (FM) to antiferromagnetic (AFM) transition, at around the critical composition x=0.32, in agreement with the experimental measurement. The Mn-In atomic disorder leads to decreasing stability of the martensite relative to the austenite, which depresses the MPT. The shear elastic constant C' of the parent phase first decreases slightly with increasing x and then remains almost unchanged above x=0.32, indicating C' alone cannot account for the increase of the MPT temperature with x. The total magnetic moments for the L21 phase are in good agreement with those determined by experiments, whereas for the L10 phase they are slightly larger than the experimental data due to the possible Mn-In atomic disorder in the sample. The calculated density of states demonstrate that the covalent bonding between the minority spin states of Ni and In plays an important role in both the magnetic and structural stability.

A facile and green approach for the controlled synthesis of porous SnO₂ nanospheres: application as an efficient photocatalyst and an excellent gas sensing material.

PubMed

Manjula, P; Boppella, Ramireddy; Manorama, Sunkara V

2012-11-01

A facile and elegant methodology invoking the principles of Green Chemistry for the synthesis of porous tin dioxide nanospheres has been described. The low-temperature (∼50 °C) synthesis of SnO₂ nanoparticles and their self-assembly into organized, uniform, and monodispersed porous nanospheres with high surface area is facilitated by controlling the concentration of glucose, which acts as a stabilizing as well as structure-directing agent. A systematic control on the stannate to glucose molar concentration ratio determines the exact conditions to obtain monodispersed nanospheres, preferentially over random aggregation. Detailed characterization of the structure, morphology, and chemical composition reveals that the synthesized material, 50 nm SnO₂ porous nanospheres possess BET surface area of about 160 m²/g. Each porous nanosphere consists of a few hundred nanoparticles ∼2-3 nm in diameter with tetragonal cassiterite crystal structure. The SnO₂ nanospheres exhibit elevated photocatalytic activity toward methyl orange with good recyclability. Because of the high activity and stability of this photocatalyst, the material is ideal for applications in environmental remediation. Moreover, SnO₂ nanospheres display excellent gas sensing capabilities toward hydrogen. Surface modification of the nanospheres with Pd transforms this sensing material into a highly sensitive and selective room-temperature hydrogen sensor.

Fault tolerant control laws

NASA Technical Reports Server (NTRS)

Ly, U. L.; Ho, J. K.

1986-01-01

A systematic procedure for the synthesis of fault tolerant control laws to actuator failure has been presented. Two design methods were used to synthesize fault tolerant controllers: the conventional LQ design method and a direct feedback controller design method SANDY. The latter method is used primarily to streamline the full-state Q feedback design into a practical implementable output feedback controller structure. To achieve robustness to control actuator failure, the redundant surfaces are properly balanced according to their control effectiveness. A simple gain schedule based on the landing gear up/down logic involving only three gains was developed to handle three design flight conditions: Mach .25 and Mach .60 at 5000 ft and Mach .90 at 20,000 ft. The fault tolerant control law developed in this study provides good stability augmentation and performance for the relaxed static stability aircraft. The augmented aircraft responses are found to be invariant to the presence of a failure. Furthermore, single-loop stability margins of +6 dB in gain and +30 deg in phase were achieved along with -40 dB/decade rolloff at high frequency.

Metal coordination polymer derived mesoporous Co3O4 nanorods with uniform TiO2 coating as advanced anodes for lithium ion batteries.

PubMed

Geng, Hongbo; Ang, Huixiang; Ding, Xianguang; Tan, Huiteng; Guo, Guile; Qu, Genlong; Yang, Yonggang; Zheng, Junwei; Yan, Qingyu; Gu, Hongwei

2016-02-07

In this work, a one-dimensional Co3O4@TiO2 core-shell electrode material with superior electrochemical performance is fabricated by a convenient and controllable route. The approach involves two main steps: the homogeneous deposition of polydopamine and TiO2 layers in sequence on the cobalt coordination polymer and the thermal decomposition of the polymer matrix. The as-prepared electrode material can achieve excellent electrochemical properties and stability as an anode material for lithium ion batteries, such as a high specific capacity of 1279 mA h g(-1), good cycling stability (around 803 mA h g(-1) at a current density of 200 mA g(-1) after 100 cycles), and stable rate performance (around 520 mA h g(-1) at a current density of 1000 mA g(-1)). This dramatic electrochemical performance is mainly attributed to the excellent structural characteristics, which could improve the electrical conductivity and lithium ion mobility, as well as electrolyte permeability and architectural stability during cycling.

The relationship of bull fertility to sperm nuclear shape

USGS Publications Warehouse

Ostermeier, G.C.; Sargeant, G.A.; Yandell, B.S.; Parrish, J.J.

2001-01-01

group had a linear relationship (r .89, P .05) with fertility. To construct a plot of mean sperm shapes, a novel technique to automatically orient and identify the anterior tip of the sperm head was developed. The mean nuclear shape of high-fertility sperm was more elongated and tapered than those of lower fertility. A discriminant function (P .05) was also constructed that separated the 6 bulls into 2 groups based only on the harmonic amplitudes or sperm nuclear shape. The bulls were correctly classified into the 2 fertility groups. A comparison of sperm chromatin structure analysis (SCSA) and harmonic amplitudes found that overall size variance, anterior roundness, and posterior taperedness of sperm nuclei were related to chromatin stability (P .05). Some of the differences observed in sperm nuclear shape between the high- and lower-fertility bulls may be explained by varying levels of chromatin stability. However, sperm nuclear shape appears to contain additional information from chromatin stability alone. In this particular study, with 6 bulls, all with good chromatin quality, sperm nuclear shape was a better predictor of bull fertility.

Mesoporous CLEAs-silica composite microparticles with high activity and enhanced stability

PubMed Central

Cui, Jiandong; Jia, Shiru; Liang, Longhao; Zhao, Yamin; Feng, Yuxiao

2015-01-01

A novel enzyme immobilization approach was used to generate mesoporous enzymes-silica composite microparticles by co-entrapping gelatinized starch and cross-linked phenylalanine ammonia lyase (PAL) aggregates (CLEAs) containing gelatinized starch into biomemitic silica and subsequently removing the starch by α-amylase treatment. During the preparation process, the gelatinzed starch served as a pore-forming agent to create pores in CLEAs and biomimetic silica. The resulting mesoporous CLEAs-silica composite microparticles exhibited higher activity and stability than native PAL, conventional CLEAs, and PAL encapsulated in biomimetic silica. Furthermore, the mesoporous CLEAs-silica composite microparticles displayed good reusability due to its suitable size and mechanical properties, and had excellent stability for storage. The superior catalytic performances were attributed to the combinational unique structure from the intra-cross-linking among enzyme aggregates and hard mesoporous silica shell, which not only decreased the enzyme-support negative interaction and mass-transfer limitations, but also improved the mechanical properties and monodispersity. This approach will be highly beneficial for preparing various bioactive mesoporous composites with excellent catalytic performance. PMID:26374188

On hydrophilicity improvement of the porous anodic alumina film by hybrid nano/micro structuring

NASA Astrophysics Data System (ADS)

Wang, Weichao; Zhao, Wei; Wang, Kaige; Wang, Lei; Wang, Xuewen; Wang, Shuang; Zhang, Chen; Bai, Jintao

2017-09-01

In both, laboratory and industry, tremendous attention is paid to discover an effective technique to produce uniform, controllable and (super) hydrophilic surfaces over large areas that are useful in a wide range of applications. In this investigation, by combing porous anodic alumina (PAA) film with nano-structures and microarray of aluminum, the hydrophilicity of hybrid nano-micro structure has been significantly improved. It is found some factors can affect the hydrophilicity of film, such as the size and aspect ratio of microarray, the thickness of nano-PAA film etc. Comparing with pure nano-PAA films and microarray, the hybrid nano-micro structure can provide uniform surface with significantly better hydrophilicity. The improvement can be up to 84%. Also, this technique exhibits good stability and repeatability for industrial production. By optimizing the thickness of nano-PAA film and aspect ratio of micro-structures, super-hydrophilicity can be reached. This study has obvious prospect in the fields of chemical industry, biomedical engineering and lab-on-a-chip applications.

Computational investigation on the structures and electronic properties of the nanosized rhenium clusters

DOE PAGES

Zhao, Run -Ning; Chen, Rui; Yuan, Yan -Hong; ...

2017-08-10

Here, the stable equilibrium geometries, relative stabilities, and electronic and magnetic characteristics of Re n (n = 2–16) clusters were investigated by density functional theory method. The calculated fragmentation energies and second-order differences of energies exhibited interestingly that the stabilities of Re n (n = 2–16) clusters show a dramatic odd-even alternative behavior of the cluster size n: with the even-numbered Ren clusters being obviously more stable than their neighboring odd-numbered Re n clusters (beside n = 11). Simultaneously, the calculated HOMO-LUMO gaps of Re n (n = 6–16) display an oscillatory feature at large-sized Ren clusters. From the calculatedmore » magnetic moments and growth behaviors of Rhenium clusters, the magnetic Re 6 unit can be seen as the building block for the novel magnetic cluster-assembled nanomaterial. Such calculated results are in good agreement with the available experimental measurements.« less

Intelligent walkers for the elderly: performance and safety testing of VA-PAMAID robotic walker.

PubMed

Rentschler, Andrew J; Cooper, Rory A; Blasch, Bruce; Boninger, Michael L

2003-01-01

A walker that could help navigate and avoid collisions with obstacles could help reduce health costs and increase the quality of care and independence of thousands of people. This study evaluated the safety and performance of the Veterans Affairs Personal Adaptive Mobility Aid (VA-PAMAID). We performed engineering tests on the VA-PAMAID to determine safety factors, including stability, energy consumption, fatigue life, and sensor and control malfunctions. The VA-PAMAID traveled 10.9 km on a full charge and avoided obstacles while traveling at a speed of up to 1.2 m/s. No failures occurred during static stability, climatic, or fatigue testing. Some problems were encountered during obstacle climbing and sensor and control testing. The VA-PAMAID has good range, has adequate reaction time, and is structurally sound. Clinical trials are planned to compare the device to other low-technical adaptive mobility devices.

A two step method to synthesize palladium-copper nanoparticles on reduced graphene oxide and their extremely high electrocatalytic activity for the electrooxidation of methanol and ethanol

NASA Astrophysics Data System (ADS)

Na, HeYa; Zhang, Lei; Qiu, HaiXia; Wu, Tao; Chen, MingXi; Yang, Nian; Li, LingZhi; Xing, FuBao; Gao, JianPing

2015-08-01

Palladium-copper nanoparticles (Pd-Cu NPs) supported on reduced graphene oxide (RGO) with different Pd/Cu ratios (Pd-Cu/RGO) were prepared by a two step method. The Pd-Cu/RGO hybrids were characterized by transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction and thermogravimetric analyses. Cyclic voltammetry and chronoamperometry were used to investigate the electrochemical activities and stabilities of the Pd-Cu/RGO catalysts for the electro-oxidation of methanol and ethanol in alkaline media. The Pd-Cu/RGO catalysts exhibited high catalytic activities and good stabilities. This is because the catalysts have a bimetallic structure consisting of a small Pd-Cu core surrounded by a thin Pd-rich shell which improves the catalytic activities of the Pd-Cu/RGO hybrids. Thus they should be useful in direct methanol and ethanol fuel cells.

A Density Functional Theory Study of New Boron Nanotubes

NASA Astrophysics Data System (ADS)

Chen, Zhao-Hua; Xie, Zun

2017-11-01

Using first-principles calculations, a series of new boron nanotubes (BNTs), which show various electronic properties, were theoretically predicted. Stable nanotubes with various chiral vectors and diameters can be formed by rolling up the boron sheet with relative stability [H. Tang and S. I. Beigi, Phys. Rev. B 82, 115412 (2010).]. By increasing the diameter for BNT, the stability is enhanced. The calculated density of states and band structures demonstrate that all the predicted BNTs are metallic, regardless of their diameter and chirality. The multicentre chemical bonds of the relatively stable boron sheet and BNTs are analysed using the deformation electron density. Within our study, the BNTs all have metallic conductive characteristics, in addition to having a low effective quality and high carrier concentration, which are very good nanoconductive material properties and could be combined to form high-power electrodes for lithium-ion batteries such as those used in many modern electronics.

Reverse Less Invasive Stabilization System (LISS) Plating for Proximal Femur Fractures in Poliomyelitis Survivors: A Report of Two Cases.

PubMed

Yao, Chen; Jin, Dongxu; Zhang, Changqing

2017-11-15

BACKGROUND Poliomyelitis is a neuromuscular disease which causes muscle atrophy, skeletal deformities, and disabilities. Treatment of hip fractures on polio-affect limbs is unique and difficult, since routine fixation methods like nailing may not be suitable due to abnormal skeletal structures. CASE REPORT We report one femoral neck fracture and one subtrochanteric fracture in polio survivors successfully treated with reverse less invasive stabilization system (LISS) plating technique. Both fractures were on polio-affected limbs with significant skeletal deformities and low bone density. A contralateral femoral LISS plate was applied upside down to the proximal femur as an internal fixator after indirect or direct reduction. Both patients had uneventful bone union and good functional recovery. CONCLUSIONS Reverse LISS plating is a safe and effective technique to treat hip fractures with skeletal deformities caused by poliomyelitis.

Self-assembling graphene-anthraquinone-2-sulphonate supramolecular nanostructures with enhanced energy density for supercapacitors

NASA Astrophysics Data System (ADS)

Gao, Lifang; Gan, Shiyu; Li, Hongyan; Han, Dongxue; Li, Fenghua; Bao, Yu; Niu, Li

2017-07-01

Boosting the energy density of capacitive energy storage devices remains a crucial issue for facilitating applications. Herein, we report a graphene-anthraquinone supramolecular nanostructure by self-assembly for supercapacitors. The sulfonated anthraquinone exhibits high water solubility, a π-conjugated structure and redox active features, which not only serve as a spacer to interact with and stabilize graphene but also introduce extra pseudocapacitance contributions. The formed nest-like three-dimensional (3D) nanostructure with further hydrothermal treatment enhances the accessibility of ion transfer and exposes the redox-active quinone groups in the electrolytes. A fabricated all-solid-state flexible symmetric device delivers a high specific capacitance of 398.5 F g-1 at 1 A g-1 (1.5 times higher than graphene), superior energy density (52.24 Wh kg-1 at about 1 kW kg-1) and good stability (82% capacitance retention after 10 000 cycles).

Extremely Stable Polypyrrole Achieved via Molecular Ordering for Highly Flexible Supercapacitors.

PubMed

Huang, Yan; Zhu, Minshen; Pei, Zengxia; Huang, Yang; Geng, Huiyuan; Zhi, Chunyi

2016-01-27

The cycling stability of flexible supercapacitors with conducting polymers as electrodes is limited by the structural breakdown arising from repetitive counterion flow during charging/discharging. Supercapacitors made of facilely electropolymerized polypyrrole (e-PPy) have ultrahigh capacitance retentions of more than 97, 91, and 86% after 15000, 50000, and 100000 charging/discharging cycles, respectively, and can sustain more than 230000 charging/discharging cycles with still approximately half of the initial capacitance retained. To the best of our knowledge, such excellent long-term cycling stability was never reported. The fully controllable electropolymerization shows superiority in molecular ordering, favoring uniform stress distribution and charge transfer. Being left at ambient conditions for even 8 months, e-PPy supercapacitors completely retain the good electrochemical performance. The extremely stable supercapacitors with excellent flexibility and scalability hold considerable promise for the commerical application of flexible and wearable electronics.

The effects of profiles on supersonic jet noise

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Bhat, T. R. S.

1994-01-01

The effect of velocity profiles on supersonic jet noise are studied by using stability calculations made for a shock-free coannular jet, with both the inner and outer flows supersonic. The Mach wave emission process is modeled as the noise generated by the large scale turbulent structures or the instability waves in the mixing region. Both the vortex-sheet and the realistic finite thickness shear layer models are considered. The stability calculations were performed for both inverted and normal velocity profiles. Comparisons are made with the results for an equivalent single jet, based on equal thrust, mass flow rate and exit area to that of the coannular jet. The advantages and disadvantages of these velocity profiles as far as noise radiation is concerned are discussed. It is shown that the Rayleigh's model prediction of the merits and demerits of different velocity profiles are in good agreement with the experimental data.

Computational investigation on the structures and electronic properties of the nanosized rhenium clusters

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

Zhao, Run -Ning; Chen, Rui; Yuan, Yan -Hong

Here, the stable equilibrium geometries, relative stabilities, and electronic and magnetic characteristics of Re n (n = 2–16) clusters were investigated by density functional theory method. The calculated fragmentation energies and second-order differences of energies exhibited interestingly that the stabilities of Re n (n = 2–16) clusters show a dramatic odd-even alternative behavior of the cluster size n: with the even-numbered Ren clusters being obviously more stable than their neighboring odd-numbered Re n clusters (beside n = 11). Simultaneously, the calculated HOMO-LUMO gaps of Re n (n = 6–16) display an oscillatory feature at large-sized Ren clusters. From the calculatedmore » magnetic moments and growth behaviors of Rhenium clusters, the magnetic Re 6 unit can be seen as the building block for the novel magnetic cluster-assembled nanomaterial. Such calculated results are in good agreement with the available experimental measurements.« less

Comparative study of the interactions between bisphenol-A and its endocrine disrupting analogues with bovine serum albumin using multi-spectroscopic and molecular docking studies.

PubMed

Ikhlas, Shoeb; Usman, Afia; Ahmad, Masood

2018-04-24

Interaction studies of bisphenol analogues; biphenol-A (BPA), bisphenol-B (BPB), and bisphenol-F (BPF) with bovine serum albumin (BSA) were performed using multi-spectroscopic and molecular docking studies at the protein level. The mechanism of binding of bisphenols with BSA was dynamic in nature. SDS refolding experiments demonstrated no stabilization of BSA structure denatured by BPB, however, BSA denatured by BPA and BPF was found to get stabilized. Also, CD spectra and molecular docking studies revealed that BPB bound more strongly and induced more conformational changes in BSA in comparison to BPA. Hence, this study throws light on the replacement of BPA by its analogues and whether the replacement is associated with a possible risk, raising a doubt that perhaps BPB is not a good substitute of BPA.

La0.7Sr0.3MnO3: A single, conductive-oxide buffer layer for the development of YBa2Cu3O7-δ coated conductors

NASA Astrophysics Data System (ADS)

Aytug, T.; Paranthaman, M.; Kang, B. W.; Sathyamurthy, S.; Goyal, A.; Christen, D. K.

2001-10-01

Coated conductor applications in power technologies require stabilization of the high-temperature superconducting (HTS) layers against thermal runaway. Conductive La0.7Sr0.3MnO3 (LSMO) has been epitaxially grown on biaxially textured Ni substrates as a single buffer layer. The subsequent epitaxial growth of YBa2Cu3O7-δ (YBCO) coatings by pulsed laser deposition yielded self-field critical current densities (Jc) of 0.5×106A/cm2 at 77 K, and provided good electrical connectivity over the entire structure (HTS+conductive-buffer+metal substrate). Property characterizations of YBCO/LSMO/Ni architecture revealed excellent crystallographic and morphological properties. These results have demonstrated that LSMO, used as a single, conductive buffer layer, may offer potential for use in fully stabilized YBCO coated conductors.

Electrochemical sensor for rutin detection based on Au nanoparticle-loaded helical carbon nanotubes

NASA Astrophysics Data System (ADS)

Yang, Haitang; Li, Bingyue; Cui, Rongjing; Xing, Ruimin; Liu, Shanhu

2017-10-01

The key step in the fabrication of highly active electrochemical sensors is seeking multifunctional nanocomposites as electrode modified materials. In this study, the gold nanoparticle-decorated helical carbon nanotube nanocomposites (AuNPs-HCNTs) were fabricated for rutin detection because of its superior sensitivity, the chemical stability of AuNPs, and the superior conductivity and unique 3D-helical structure of helical carbon nanotubes. Results showed the prepared nanocomposites exhibited superior electrocatalytic activity towards rutin due to the synergetic effects of AuNPs and HCNTs. Under the optimized conditions, the developed sensor exhibited a linear response range from 0.1 to 31 μmol/L for rutin with a low detectable limit of 81 nmol/L. The proposed method might offer a possibility for electrochemical analysis of rutin in Chinese medical analysis or serum monitoring owing to its low cost, simplicity, high sensitivity, good stability, and few interferences against common coexisting ions in real samples.

A CuNi/C Nanosheet Array Based on a Metal-Organic Framework Derivate as a Supersensitive Non-Enzymatic Glucose Sensor

NASA Astrophysics Data System (ADS)

Zhang, Li; Ye, Chen; Li, Xu; Ding, Yaru; Liang, Hongbo; Zhao, Guangyu; Wang, Yan

2018-06-01

Bimetal catalysts are good alternatives for non-enzymatic glucose sensors owing to their low cost, high activity, good conductivity, and ease of fabrication. In the present study, a self-supported CuNi/C electrode prepared by electrodepositing Cu nanoparticles on a Ni-based metal-organic framework (MOF) derivate was used as a non-enzymatic glucose sensor. The porous construction and carbon scaffold inherited from the Ni-MOF guarantee good kinetics of the electrode process in electrochemical glucose detection. Furthermore, Cu nanoparticles disturb the array structure of MOF derived films and evidently enhance their electrochemical performances in glucose detection. Electrochemical measurements indicate that the CuNi/C electrode possesses a high sensitivity of 17.12 mA mM-1 cm-2, a low detection limit of 66.67 nM, and a wider linearity range from 0.20 to 2.72 mM. Additionally, the electrode exhibits good reusability, reproducibility, and stability, thereby catering to the practical use of glucose sensors. Similar values of glucose concentrations in human blood serum samples are detected with our electrode and with the method involving glucose-6-phosphate dehydrogenase; the results further demonstrate the practical feasibility of our electrode.

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2012 CFR

2012-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2011 CFR

2011-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2013 CFR

2013-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2014 CFR

2014-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

Composite of macroporous carbon with honeycomb-like structure from mollusc shell and NiCo(2)O(4) nanowires for high-performance supercapacitor.

PubMed

Xiong, Wei; Gao, Yongsheng; Wu, Xu; Hu, Xuan; Lan, Danni; Chen, Yangyang; Pu, Xuli; Zeng, Yan; Su, Jun; Zhu, Zhihong

2014-01-01

Novel biological carbon materials with highly ordered microstructure and large pore volume have caused great interest due to their multifunctional properties. Herein, we report the preparation of an interconnected porous carbon material by carbonizing the organic matrix of mollusc shell. The obtained three-dimensional carbon skeleton consists of hexangular and tightly arranged channels, which endow it with efficient electrolyte penetration and fast electron transfer, enable the mollusc shell based macroporous carbon material (MSBPC) to be an excellent conductive scaffold for supercapacitor electrodes. By growing NiCo2O4 nanowires on the obtained MSBPC, NiCo2O4/MSBPC composites were synthesized. When used on supercapacitor electrode, it exhibited anomalously high specific capacitance (∼1696 F/g), excellent rate performance (with the capacity retention of 58.6% at 15 A/g) and outstanding cycling stability (88% retention after 2000 cycles). Furthermore, an all-solid-state symmetric supercapacitor was also assembled based on this NiCo2O4/MSBPC electrode and showed good electrochemical performance with an energy density of 8.47 Wh/kg at 1 A/g, good stability over 10000 cycles. And we believe that more potential applications beyond energy storage can be developed based on this MSBPC.

Temporal Stability of the Ford Insomnia Response to Stress Test (FIRST).

PubMed

Jarrin, Denise C; Chen, Ivy Y; Ivers, Hans; Drake, Christopher L; Morin, Charles M

2016-10-15

The Ford Insomnia Response to Stress Test (FIRST) is a self-report tool that measures sleep reactivity (i.e., vulnerability to experience situational insomnia under stressful conditions). Sleep reactivity has been termed a "trait-like" vulnerability; however, evidence of its long-term stability is lacking. The main objective of the current psychometric study was to investigate the temporal stability of the FIRST over two 6-mo intervals in a population-based sample of adults with and without insomnia. The temporal stability of the FIRST was also compared with the temporal stability of other scales associated with insomnia (trait-anxiety, arousability). Participants included 1,122 adults (mean age = 49.9 y, standard deviation = 14.8; 38.8% male) presenting with an insomnia syndrome (n = 159), insomnia symptoms (n = 152), or good sleep (n = 811). Participants completed the FIRST, the State-Trait Anxiety Inventory (trait-anxiety), and the Arousal Predisposition Scale (arousability) on three different occasions: baseline and at 6- and 12-mo follow-up. Intraclass correlation coefficients (ICCs) were computed for all scales (baseline to 6 mo and 6 to 12 mo). The FIRST yielded strong temporal stability from baseline to 6 mo among those with insomnia syndrome (ICC = 0.81), symptoms (ICC = 0.78), and good sleep (ICC = 0.81). Similar results were observed for 6 to 12 mo among those with insomnia syndrome (ICC = 0.74), insomnia symptoms (ICC = 0.82), and good sleep (ICC = 0.84). The stability of the FIRST was not comparable with the stability of trait-anxiety, but was somewhat comparable with the stability of arousability. Overall, the FIRST is a temporally reliable stable scale over 6-mo intervals. Future research is needed to corroborate the stability and trait-like measures of sleep reactivity with physiological, behavioural and personality measures. © 2016 American Academy of Sleep Medicine

Thermal Stability of Zone Melting p-Type (Bi, Sb)2Te3 Ingots and Comparison with the Corresponding Powder Metallurgy Samples

NASA Astrophysics Data System (ADS)

Jiang, Chengpeng; Fan, Xi'an; Hu, Jie; Feng, Bo; Xiang, Qiusheng; Li, Guangqiang; Li, Yawei; He, Zhu

2018-04-01

During the past few decades, Bi2Te3-based alloys have been investigated extensively because of their promising application in the area of low temperature waste heat thermoelectric power generation. However, their thermal stability must be evaluated to explore the appropriate service temperature. In this work, the thermal stability of zone melting p-type (Bi, Sb)2Te3-based ingots was investigated under different annealing treatment conditions. The effect of service temperature on the thermoelectric properties and hardness of the samples was also discussed in detail. The results showed that the grain size, density, dimension size and mass remained nearly unchanged when the service temperature was below 523 K, which suggested that the geometry size of zone melting p-type (Bi, Sb)2Te3-based materials was stable below 523 K. The power factor and Vickers hardness of the ingots also changed little and maintained good thermal stability. Unfortunately, the thermal conductivity increased with increasing annealing temperature, which resulted in an obvious decrease of the zT value. In addition, the thermal stabilities of the zone melting p-type (Bi, Sb)2Te3-based materials and the corresponding powder metallurgy samples were also compared. All evidence implied that the thermal stabilities of the zone-melted (ZMed) p-type (Bi, Sb)2Te3 ingots in terms of crystal structure, geometry size, power factor (PF) and hardness were better than those of the corresponding powder metallurgy samples. However, their thermal stabilities in terms of zT values were similar under different annealing temperatures.

Fabrication of magnetic Fe@ZnO0.6S0.4 nanocomposite for visible-light-driven photocatalytic inactivation of Escherichia coli

NASA Astrophysics Data System (ADS)

Peng, Ziling; Wu, Dan; Wang, Wei; Tan, Fatang; Ng, Tsz Wai; Chen, Jianguo; Qiao, Xueliang; Wong, Po Keung

2017-02-01

Bacterial inactivation by magnetic photocatalysts has now received growing interests due to the easy separation for recycle and reuse of photocatalysts. In this study, magnetic Fe@ZnO0.6S0.4 photocatalyst was prepared by a facile two-step precipitation method. Multiple techniques such as X-ray diffraction (XRD), transmission electron microscope (TEM), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), UV-vis diffused reflectance spectra (UV-vis DRS) and vibrating sample magnetometer (VSM) were employed to characterize the structure, morphology and physicochemical properties of the photocatalyst. The as-obtained Fe@ZnO0.6S0.4 possessing magnetic property was easily collected from the reaction system by a magnet. Under white light-emitting-diode (LED) lamp irradiation, Fe@ZnO0.6S0.4 nanocomposite could completely inactivate 7-log of Escherichia coli K-12 within 5 h. More importantly, almost no decrease of photocatalytic efficiency in bacterial inactivation was observed even after five consecutive cycles, demonstrating Fe@ZnO0.6S0.4 exhibited good stability for reuse. The low released rate of Fe2+/Fe3+ and Zn2+ from Fe@ZnO0.6S0.4 composite further indicated the photocatalyst showed low cytotoxicity to bacterium and high stability under LED lamp irradiation. Facile preparation, high photocatalytic efficiency, good stability and reusability, and magnetic recovery property endow Fe@ZnO0.6S0.4 nanocomposite to be a promising photocatalytic material for bacterial inactivation.

Comparison of the colloidal stability, bioaccessibility and antioxidant activity of corn protein hydrolysate and sodium caseinate stabilized curcumin nanoparticles.

PubMed

Wang, Yong-Hui; Yuan, Yang; Yang, Xiao-Quan; Wang, Jin-Mei; Guo, Jian; Lin, Yuan

2016-07-01

The aims of this work were to construct corn protein hydrolysate (CPH)-based curcumin nanoparticles (Cur NPs) and to compare the colloidal stability, bioaccessibility and antioxidant activity of the Cur NPs stabilized CPH and sodium caseinate (NaCas) respectively. The results indicated that Cur solubility could be considerably improved after the Cur NPs fabrication. The spectroscopy results demonstrated that the solubilization of Cur should be attributed to its complexation with CPH or NaCas. The Cur NPs exhibited good colloidal stability after 1 week's storage but showed smaller (40 nm) size in CPH than in NaCas (100 nm). After lyophilization, the Cur NPs powders showed good rehydration properties and chemical stability, and compared with NaCas, the size of Cur NPs stabilized by CPH was still smaller. Additionally, the Cur NPs exhibited higher chemical stability against the temperature compared with free Cur, and the CPH could protect Cur from degradation more efficiently. Comparing with NaCas, the Cur NPs stabilized by CPH exhibited better bioaccessibility and antioxidant activity. This study demonstrated that CPH may be better than NaCas in Cur NPs fabrication and it opens up the possibility of using hydrophobic protein hydrolysate to construct the NPs delivery system.

Disequilibrium dynamics in a Keynesian model with time delays

NASA Astrophysics Data System (ADS)

Gori, Luca; Guerrini, Luca; Sodini, Mauro

2018-05-01

The aim of this research is to analyse a Keynesian goods market closed economy by considering a continuous-time setup with fixed delays. The work compares dynamic results based on linear and nonlinear adjustment mechanisms through which the aggregate supply (production) reacts to a disequilibrium in the goods market and consumption depends on income at a preceding date. Both analytical and geometrical (stability switching curves) techniques are used to characterise the stability properties of the stationary equilibrium.

Atomic Layer Deposited Thin Films for Dielectrics, Semiconductor Passivation, and Solid Oxide Fuel Cells

NASA Astrophysics Data System (ADS)

Xu, Runshen

Atomic layer deposition (ALD) utilizes sequential precursor gas pulses to deposit one monolayer or sub-monolayer of material per cycle based on its self-limiting surface reaction, which offers advantages, such as precise thickness control, thickness uniformity, and conformality. ALD is a powerful means of fabricating nanoscale features in future nanoelectronics, such as contemporary sub-45 nm metal-oxide-semiconductor field effect transistors, photovoltaic cells, near- and far-infrared detectors, and intermediate temperature solid oxide fuel cells. High dielectric constant, kappa, materials have been recognized to be promising candidates to replace traditional SiO2 and SiON, because they enable good scalability of sub-45 nm MOSFET (metal-oxide-semiconductor field-effect transistor) without inducing additional power consumption and heat dissipation. In addition to high dielectric constant, high-kappa materials must meet a number of other requirements, such as low leakage current, high mobility, good thermal and structure stability with Si to withstand high-temperature source-drain activation annealing. In this thesis, atomic layer deposited Er2O3 doped TiO2 is studied and proposed as a thermally stable amorphous high-kappa dielectric on Si substrate. The stabilization of TiO2 in its amorphous state is found to achieve a high permittivity of 36, a hysteresis voltage of less than 10 mV, and a low leakage current density of 10-8 A/cm-2 at -1 MV/cm. In III-V semiconductors, issues including unsatisfied dangling bonds and native oxides often result in inferior surface quality that yields non-negligible leakage currents and degrades the long-term performance of devices. The traditional means for passivating the surface of III-V semiconductors are based on the use of sulfide solutions; however, that only offers good protection against oxidation for a short-term (i.e., one day). In this work, in order to improve the chemical passivation efficacy of III-V semiconductors, ultra-thin layer of encapsulating ZnS is coated on the surface of GaSb and GaSb/InAs substrates. The 2 nm-thick ZnS film is found to provide a long-term protection against reoxidation for one order and a half longer times than prior reported passivation likely due to its amorphous structure without pinholes. Finally, a combination of binary ALD processes is developed and demonstrated for the growth of yttria-stabilized zirconia films using alkylamido-cyclopentadiengyls zirconium and tris(isopropyl-cyclopentadienyl)yttrium, as zirconium and yttrium precursors, respectively, with ozone being the oxidant. The desired cubic structure of YSZ films is apparently achieved after post-deposition annealing. Further, platinum is atomic layer deposited as electrode on YSZ (8 mol% of Yttria) within the same system. In order to control the morphology of as-deposited Pt thin structure, the nucleation behavior of Pt on amorphous and cubic YSZ is investigated. Three different morphologies of Pt are observed, including nanoparticle, porous and dense films, which are found to depend on the ALD cycle number and the structure and morphology of they underlying ALD YSZ films.

Uniform manganese hexacyanoferrate hydrate nanocubes featuring superior performance for low-cost supercapacitors and nonenzymatic electrochemical sensors.

PubMed

Pang, Huan; Zhang, Yizhou; Cheng, Tao; Lai, Wen-Yong; Huang, Wei

2015-10-14

Uniform manganese hexacyanoferrate hydrate nanocubes are prepared via a simple chemical precipitation method at room temperature. Due to both micro/mesopores of the Prussian blue analogue and nanocubic structures, the manganese hexacyanoferrate hydrate nanocubes allow the efficient charge transfer and mass transport for electrolyte solution and chemical species. Thus, the manganese hexacyanoferrate hydrate nanocube electrode shows a good rate capability and cycling stability for electrochemical capacitors. Furthermore, electrodes modified with manganese hexacyanoferrate hydrate nanocubes demonstrate a sensitive electrochemical response to hydrogen peroxide (H2O2) in buffer solutions with a high selectivity.

Supercapacitor Operating At 200 Degrees Celsius

PubMed Central

Borges, Raquel S.; Reddy, Arava Leela Mohana; Rodrigues, Marco-Tulio F.; Gullapalli, Hemtej; Balakrishnan, Kaushik; Silva, Glaura G.; Ajayan, Pulickel M.

2013-01-01

The operating temperatures of current electrochemical energy storage devices are limited due to electrolyte degradation and separator instability at higher temperatures. Here we demonstrate that a tailored mixture of materials can facilitate operation of supercapacitors at record temperatures, as high as 200°C. Composite electrolyte/separator structures made from naturally occurring clay and room temperature ionic liquids, with graphitic carbon electrodes, show stable supercapacitor performance at 200°C with good cyclic stability. Free standing films of such high temperature composite electrolyte systems can become versatile functional membranes in several high temperature energy conversion and storage applications. PMID:23999206

Research of real-time video processing system based on 6678 multi-core DSP

NASA Astrophysics Data System (ADS)

Li, Xiangzhen; Xie, Xiaodan; Yin, Xiaoqiang

2017-10-01

In the information age, the rapid development in the direction of intelligent video processing, complex algorithm proposed the powerful challenge on the performance of the processor. In this article, through the FPGA + TMS320C6678 frame structure, the image to fog, merge into an organic whole, to stabilize the image enhancement, its good real-time, superior performance, break through the traditional function of video processing system is simple, the product defects such as single, solved the video application in security monitoring, video, etc. Can give full play to the video monitoring effectiveness, improve enterprise economic benefits.

Anti-contamination device for cryogenic soft X-ray diffraction microscopy

DOE PAGES

Huang, Xiaojing; Miao, Huijie; Nelson, Johanna; ...

2011-05-01

Cryogenic microscopy allows one to view frozen hydrated biological and soft matter specimens with good structural preservation and a high degree of stability against radiation damage. We describe a liquid nitrogen-cooled anti-contamination device for cryogenic X-ray diffraction microscopy. The anti-contaminator greatly reduces the buildup of ice layers on the specimen due to condensation of residual water vapor in the experimental vacuum chamber. We show by coherent X-ray diffraction measurements that this leads to fivefold reduction of background scattering, which is important for far-field X-ray diffraction microscopy of biological specimens.

Synthesis of new Cα-tetrasubstituted α-amino acids

PubMed Central

Grauer, Andreas A

2009-01-01

Summary Cα-Tetrasubstituted α-amino acids are important building blocks for the synthesis of peptidemimetics with stabilized secondary structure, because of their ability to rigidify the peptide backbone. Recently our group reported a new class of cyclic Cα-tetrasubstituted tetrahydrofuran α-amino acids prepared from methionine and aromatic aldehydes. We now report the extension of this methodology to aliphatic aldehydes. Although such aldehydes are prone to give aldol products under the reaction conditions used, we were able to obtain the target cyclic amino acids in low to moderate yields and in some cases with good diastereoselectivity. PMID:19259341

Conductive polymer sensor arrays for smart orthopaedic implants

NASA Astrophysics Data System (ADS)

Micolini, Carolina; Holness, F. B.; Johnson, James A.; Price, Aaron D.

2017-04-01

This study proposes and demonstrates the design, implementation, and characterization of a 3D-printed smartpolymer sensor array using conductive polyaniline (PANI) structures embedded in a polymeric substrate. The piezoresistive characteristics of PANI were studied to evaluate the efficacy of the manufacturing of an embedded pressure sensor. PANI's stability throughout loading and unloading cycles together with the response to incremental loading cycles was investigated. It is demonstrated that this specially developed multi-material additive manufacturing process for polyaniline is a good candidate for the manufacture of implant components with smart-polymer sensors embedded for the analysis of joint loads in orthopaedic implants.

Structure-property relationships of Thai silk-microcrystalline cellulose biocomposite materials fabricated from ionic liquid.

PubMed

DeFrates, Kelsey; Markiewicz, Theodore; Callaway, Kayla; Xue, Ye; Stanton, John; Salas-de la Cruz, David; Hu, Xiao

2017-11-01

Biomaterials made from natural proteins and polysaccharides have become increasingly popular in the biomedical field due to their good biocompatibility and tunable biodegradability. However, the low miscibility of polysaccharides with proteins presents challenges in the creation of protein-polysaccharide composite materials. In this study, neat 1-allyl-3-methylimidazolium chloride (AMIMCl) ionic liquid was used to regenerate Thailand gold Bombyx mori silk and microcrystalline cellulose blended films. This solvent was found to not only effectively dissolve both natural polymers, but also preserve the structure and integrity of the polymers. A single glass transition temperature for each blend was found in DSC curves, indicating good miscibility between the Thai silk and cellulose molecules. The structural composition as well as the morphology and thermal stability of blend films were then determined using FTIR, SEM and TGA. It was found that by varying the ratio of Thai silk to cellulose, the thermal and physical properties of the material could be tuned. Blended films tended to be more thermally stable which could be due to the presence of hydrophobic-hydrophobic or electrostatic interactions between the silk and cellulose. These studies offered a new pathway to understand the tunable properties of protein-polysaccharide composite biomaterials with controllable physical and biological properties. Copyright © 2017 Elsevier B.V. All rights reserved.

Guanidine hydrochloride embedded polyurethanes as antimicrobial and absorptive wound dressing membranes with promising cytocompatibility.

PubMed

Sahraro, Maryam; Yeganeh, Hamid; Sorayya, Marziyeh

2016-02-01

Preparation and assessments of novel absorptive wound dressing materials with efficient antimicrobial activity as well as very good cytocompatibility were described in this work. An amine terminated poly(hexamethylene guanidine hydrochloride) was prepared and used as curing agent of different epoxy-terminated polyurethane prepolymers. The structures of prepared materials were elucidated by evaluation of their (1)H NMR and FTIR spectra. The recorded tensile strength of membranes confirmed the excellent dimensional stability of the film type dressings even at fully hydrated conditions. Therefore, these dressings could protect the wound bed from external forces during the healing period. The structurally optimized dressing membranes could preserve the desired moist environment over the wounded area, as a result of their balanced equilibrium, water absorption and water vapor transmission rate. Therefore, a very good condition for stimulation of self-healing of wound bed was attained. Also, owing to the presence of guanidine hydrochloride moieties embedded into the structure of dressings, efficient antimicrobial activity against Staphylococcus aureus, Pseudomonas aeruginosa and Candida albicans were detected. In vitro cytotoxicity assay of the prepared dressings revealed cytocompatibility of these materials against fibroblast cells. Therefore, they could support cell growth and proliferation at the wounded area. Copyright © 2015 Elsevier B.V. All rights reserved.

Structural insights of Staphylococcus aureus FtsZ inhibitors through molecular docking, 3D-QSAR and molecular dynamics simulations.

PubMed

Ballu, Srilata; Itteboina, Ramesh; Sivan, Sree Kanth; Manga, Vijjulatha

2018-02-01

Filamentous temperature-sensitive protein Z (FtsZ) is a protein encoded by the FtsZ gene that assembles into a Z-ring at the future site of the septum of bacterial cell division. Structurally, FtsZ is a homolog of eukaryotic tubulin but has low sequence similarity; this makes it possible to obtain FtsZ inhibitors without affecting the eukaryotic cell division. Computational studies were performed on a series of substituted 3-arylalkoxybenzamide derivatives reported as inhibitors of FtsZ activity in Staphylococcus aureus. Quantitative structure-activity relationship models (QSAR) models generated showed good statistical reliability, which is evident from r 2 ncv and r 2 loo values. The predictive ability of these models was determined and an acceptable predictive correlation (r 2 Pred ) values were obtained. Finally, we performed molecular dynamics simulations in order to examine the stability of protein-ligand interactions. This facilitated us to compare free binding energies of cocrystal ligand and newly designed molecule B1. The good concordance between the docking results and comparative molecular field analysis (CoMFA)/comparative molecular similarity indices analysis (CoMSIA) contour maps afforded obliging clues for the rational modification of molecules to design more potent FtsZ inhibitors.

Syntheses and characterizations of two new energetic copper–amine-DNANT complexes and their effects on thermal decomposition of RDX

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

Qiu, Qianqian; Xu, Kangzhen, E-mail: xukz@nwu.edu.cn; Department of Chemistry, The Hong Kong University of Science and Technology, Kowloon

Two novel copper complexes of dinitroacetonitrile (DNANT), Cu(NH{sub 3}){sub 4}(DNANT){sub 2} (1) and Cu(en){sub 2}(DNATN){sub 2} (2), have been synthesized for the first time through an unique reaction, and structurally characterized. The single-crystal X-ray structural analysis shows that the Cu{sup 2+} cations in the two complexes share a similar four-coordinated structure, which however does not directly involve the main energetic DNANT{sup −} anion. The differential scanning calorimetry (DSC) study reveals that the two complexes have higher thermal stability and lower sensitivity than the analogous FOX-7 complexes, and exhibit good catalytic action to the decomposition of RDX. - Graphical abstract: Cu(NH{submore » 3}){sub 4}(DNANT){sub 2} (1) and Cu(en){sub 2}(DNATN){sub 2} (2) have been first synthesized through an unique reaction. Cu{sup 2+} ion shares a similar four-coordinated structure in the two complexes. Display Omitted - Highlights: • A new reaction is unexpectedly found, and reaction process was discussed in this work. • Cu(NH{sub 3}){sub 4} (DNANT){sub 2}and Cu(en){sub 2}(DNATN){sub 2} were first synthesized through an unique reaction. • The structures and properties of the two complexes were discussed in detail, and they all present good application performances. • The adjacent amino-hydrazino group in AHDNE exhibits high reactivity. The work is another typical example for the reactivity.« less

Analyzing the molecular basis of enzyme stability in ethanol/water mixtures using molecular dynamics simulations.

PubMed

Lousa, Diana; Baptista, António M; Soares, Cláudio M

2012-02-27

One of the drawbacks of nonaqueous enzymology is the fact that enzymes tend to be less stable in organic solvents than in water. There are, however, some enzymes that display very high stabilities in nonaqueous media. In order to take full advantage of the use of nonaqueous solvents in enzyme catalysis, it is essential to elucidate the molecular basis of enzyme stability in these media. Toward this end, we performed μs-long molecular dynamics simulations using two homologous proteases, pseudolysin, and thermolysin, which are known to have considerably different stabilities in solutions containing ethanol. The analysis of the simulations indicates that pseudolysin is more stable than thermolysin in ethanol/water mixtures and that the disulfide bridge between C30 and C58 is important for the stability of the former enzyme, which is consistent with previous experimental observations. Our results indicate that thermolysin has a higher tendency to interact with ethanol molecules (especially through van der Waals contacts) than pseudolysin, which can lead to the disruption of intraprotein hydrophobic interactions and ultimately result in protein unfolding. In the absence of the C30-C58 disulfide bridge, pseudolysin undergoes larger conformational changes, becoming more open and more permeable to ethanol molecules which accumulate in its interior and form hydrophobic interactions with the enzyme, destroying its structure. Our observations are not only in good agreement with several previous experimental findings on the stability of the enzymes studied in ethanol/water mixtures but also give an insight on the molecular determinants of this stability. Our findings may, therefore, be useful in the rational development of enzymes with increased stability in these media.

U-shaped micro-groove fiber based on femtosecond laser processing for humidity sensing

NASA Astrophysics Data System (ADS)

Fu, Gui; Ma, Li-li; Su, Fu-fang; Shi, Meng

2018-05-01

A novel optical fiber sensor with a U-shaped micro-groove structure ablated by femtosecond laser on single-mode fiber for measuring air relative humidity (RH) is reported in this paper. In order to improve the accuracy of sensor, a graphene oxide (GO)/polyvinyl alcohol (PVA) composite film is coated on the surface of micro-groove structure. In the U-shaped micro-groove structure, the remaining core and micro-cavity in the micro-groove make up two major optical propagation paths, forming a Mach-Zehnder interferometer (MZI). The sensor has a good linear response within the RH range of 30%—85%, and the maximum sensitivity can reach 0.638 1 nm/%RH. The effect of temperature on the overall performance of the humidity sensor is also investigated. As a new type of all-fiber device, the sensor shows excellent sensitivity and stability.

Test and Analysis of a Buckling-Critical Large-Scale Sandwich Composite Cylinder

NASA Technical Reports Server (NTRS)

Schultz, Marc R.; Sleight, David W.; Gardner, Nathaniel W.; Rudd, Michelle T.; Hilburger, Mark W.; Palm, Tod E.; Oldfield, Nathan J.

2018-01-01

Structural stability is an important design consideration for launch-vehicle shell structures and it is well known that the buckling response of such shell structures can be very sensitive to small geometric imperfections. As part of an effort to develop new buckling design guidelines for sandwich composite cylindrical shells, an 8-ft-diameter honeycomb-core sandwich composite cylinder was tested under pure axial compression to failure. The results from this test are compared with finite-element-analysis predictions and overall agreement was very good. In particular, the predicted buckling load was within 1% of the test and the character of the response matched well. However, it was found that the agreement could be improved by including composite material nonlinearity in the analysis, and that the predicted buckling initiation site was sensitive to the addition of small bending loads to the primary axial load in analyses.

Crystallization of PTP Domains.

PubMed

Levy, Colin; Adams, James; Tabernero, Lydia

2016-01-01

Protein crystallography is the most powerful method to obtain atomic resolution information on the three-dimensional structure of proteins. An essential step towards determining the crystallographic structure of a protein is to produce good quality crystals from a concentrated sample of purified protein. These crystals are then used to obtain X-ray diffraction data necessary to determine the 3D structure by direct phasing or molecular replacement if the model of a homologous protein is available. Here, we describe the main approaches and techniques to obtain suitable crystals for X-ray diffraction. We include tools and guidance on how to evaluate and design the protein construct, how to prepare Se-methionine derivatized protein, how to assess the stability and quality of the sample, and how to crystallize and prepare crystals for diffraction experiments. While general strategies for protein crystallization are summarized, specific examples of the application of these strategies to the crystallization of PTP domains are discussed.

Structural origin and laser performance of thulium-doped germanate glasses.

PubMed

Xu, Rongrong; Xu, Lin; Hu, Lili; Zhang, Junjie

2011-12-15

The structural origin and laser performance of thulium-doped germanate glasses have been studied. The investigation includes two main sections. The first part discusses the Raman spectroscopic and thermal stability of the host glass structure. The low value of the largest phonon energy (850 cm(-1)) reduces the probability of nonradiative relaxation. The large emission cross section of the Tm(3+) : (3)F(4) level (8.69 × 10(-21) cm(2)), the high quantum efficiency of the (3)F(4) level (71%), and the low nonradiative relaxation rate of the (3)F(4) → (3)H(6) transition (0.09 ms(-1)) illustrate good optical properties of the germanate glass. In the second part, the room-temperature laser action from the thulium-doped germanate glass is demonstrated when pumped by a 790 nm laser diode. The maximum output power of 346 mW and slope efficiency of 25.6% are achieved.

Neutron studies of paramagnetic fullerenols’ assembly in aqueous solutions

NASA Astrophysics Data System (ADS)

Lebedev, V. T.; Szhogina, A. A.; Suyasova, M. V.

2018-03-01

Recent results on structural studies of aqueous solutions of water-soluble derivatives of endofullerenes encapsulating 4f- and 3d-elements have been presented. Neutron small angle scattering experiments allowed recognize subtle features of fullerenols assembly as dependent on chemical nature (atomic number) of interior atom, pH-factor and temperature of solutions. It was observed a fractal-type fullerenols’ ordering at the scale of correlation radii ∼ 10-20 nm when molecules with iron atoms are integrated into branched structures at low concentrations (C ≤ 1 % wt.) and organized into globular aggregates at higher amounts (C > 1 % wt.). On the other hand, for Lanthanides captured in carbon cages the supramolecular structures are mostly globular and have larger gyration radii ∼ 30 nm. They demonstrated a good stability in acidic (pH ∼ 3) and neutral (pH ∼ 7) media that is important for forthcoming medical applications.

Band Structures and Transport Properties of High-Performance Half-Heusler Thermoelectric Materials by First Principles.

PubMed

Fang, Teng; Zhao, Xinbing; Zhu, Tiejun

2018-05-19

Half-Heusler (HH) compounds, with a valence electron count of 8 or 18, have gained popularity as promising high-temperature thermoelectric (TE) materials due to their excellent electrical properties, robust mechanical capabilities, and good high-temperature thermal stability. With the help of first-principles calculations, great progress has been made in half-Heusler thermoelectric materials. In this review, we summarize some representative theoretical work on band structures and transport properties of HH compounds. We introduce how basic band-structure calculations are used to investigate the atomic disorder in n-type M NiSb ( M = Ti, Zr, Hf) compounds and guide the band engineering to enhance TE performance in p-type Fe R Sb ( R = V, Nb) based systems. The calculations on electrical transport properties, especially the scattering time, and lattice thermal conductivities are also demonstrated. The outlook for future research directions of first-principles calculations on HH TE materials is also discussed.

Layered Structural Co-Based MOF with Conductive Network Frames as a New Supercapacitor Electrode.

PubMed

Yang, Jie; Ma, Zhihua; Gao, Weixue; Wei, Mingdeng

2017-01-12

Layered structural Co-MOF nanosheets were synthesized and then used as an electrode material for supercapacitors for the first time. This material exhibited a high specific capacitance, a good rate capability, and an excellent cycling stability. A maximum capacitance of 2564 F g -1 can be achieved at a current density of 1 Ag -1 . Moreover, the capacitance retention can be kept at 95.8 % respectively of its initial value after 3000 cycles. To the best of our knowledge, both the specific capacitance and the capacitance retention were the highest values reported for MOF materials as supercapacitor electrodes until now. Such a high supercapacitive performance might be attributed to the intrinsic characteristics of this kind of Co-MOF material, including its layered structure, conductive network frame, and thin nanosheet. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis of homogeneous CaMoO4 microspheres with nanopits for high-capacity anode material in Li-ion battery

NASA Astrophysics Data System (ADS)

You, Jiangfeng; Xin, Ling; Yu, Xiao; Zhou, Xiang; Liu, Yong

2018-03-01

Homogeneous CaMoO4 microspheres with interesting nanopit morphology were prepared by a simple one-step hydrothermal method. These microspheres had a very promising alternative structure for application in Li-ion batteries (LIBs), because they combined the advantages of both the primary nanosized and secondary microsized structures. The nanopits distributed on CaMoO4 material can accommodate volume change, increase their contacting surface and wetting property with electrolyte, and improve wetting contact between CaMoO4 material and electrolyte, leading to enhanced cycling stability and electrochemical performance. Meanwhile, the robust microsphere structure can both prevent aggregation and provide high tap density. When used as an anode in LIBs, the electrodes delivered a high discharge capacity of 434 mAh/g after 50 charge-discharge cycles at a current density of 200 mA/g, showing good cycling performance.

Graphene/vanadium oxide nanotubes composite as electrode material for electrochemical capacitors

NASA Astrophysics Data System (ADS)

Fu, Meimei; Ge, Chongyong; Hou, Zhaohui; Cao, Jianguo; He, Binhong; Zeng, Fanyan; Kuang, Yafei

2013-07-01

Graphene/vanadium oxide nanotubes (VOx-NTs) composite was successfully synthesized through the hydrothermal process in which acetone as solvent and 1-hexadecylamine (HDA) as structure-directing template were used. Morphology, structure and composition of the as-obtained composite were investigated by scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, nitrogen isothermal adsorption/desorption and thermo gravimetric analysis (TGA). The composite with the VOx-NTs amount of 69.0 wt% can deliver a specific capacitance of 210 F/g at a current density of 1 A/g in 1 M Na2SO4 aqueous solution, which is nearly twice as that of pristine graphene (128 F/g) or VOx-NTs (127 F/g), and exhibit a good performance rate. Compared with pure VOx-NTs, the cycle stability of the composite was also greatly improved due to the enhanced conductivity of the electrode and the structure buffer role of graphene.

Polymer-Coated Graphene Aerogel Beads and Supercapacitor Application.

PubMed

Ouyang, An; Cao, Anyuan; Hu, Song; Li, Yanhui; Xu, Ruiqiao; Wei, Jinquan; Zhu, Hongwei; Wu, Dehai

2016-05-04

Graphene aerogels are highly porous materials with many energy and environmental applications; tailoring the structure and composition of pore walls within the aerogel is the key to those applications. Here, by freeze casting the graphene oxide sheets, we directly fabricated freestanding porous graphene beads containing radially oriented through channels from the sphere center to its surface. Furthermore, we introduced pseudopolymer to make reinforced, functional composite beads with a unique pore morphology. We showed that polymer layers can be coated smoothly on both sides of the pore walls, as well as on the junctions between adjacent pores, resulting in uniform polymer-graphene-polymer sandwiched structures (skeletons) throughout the bead. These composite beads significantly improved the electrochemical properties, with specific capacitances up to 669 F/g and good cyclic stability. Our results indicate that controlled fabrication of homogeneous hierarchical structures is a potential route toward high performance composite electrodes for various energy applications.

Band Structures and Transport Properties of High-Performance Half-Heusler Thermoelectric Materials by First Principles

PubMed Central

Fang, Teng; Zhao, Xinbing

2018-01-01

Half-Heusler (HH) compounds, with a valence electron count of 8 or 18, have gained popularity as promising high-temperature thermoelectric (TE) materials due to their excellent electrical properties, robust mechanical capabilities, and good high-temperature thermal stability. With the help of first-principles calculations, great progress has been made in half-Heusler thermoelectric materials. In this review, we summarize some representative theoretical work on band structures and transport properties of HH compounds. We introduce how basic band-structure calculations are used to investigate the atomic disorder in n-type MNiSb (M = Ti, Zr, Hf) compounds and guide the band engineering to enhance TE performance in p-type FeRSb (R = V, Nb) based systems. The calculations on electrical transport properties, especially the scattering time, and lattice thermal conductivities are also demonstrated. The outlook for future research directions of first-principles calculations on HH TE materials is also discussed. PMID:29783759

Flexibility and rigidity of cross-linked Straight Fibrils under axial motion constraints.

PubMed

Nagy Kem, Gyula

2016-09-01

The Straight Fibrils are stiff rod-like filaments and play a significant role in cellular processes as structural stability and intracellular transport. Introducing a 3D mechanical model for the motion of braced cylindrical fibrils under axial motion constraint; we provide some mechanism and a graph theoretical model for fibril structures and give the characterization of the flexibility and the rigidity of this bar-and-joint spatial framework. The connectedness and the circuit of the bracing graph characterize the flexibility of these structures. In this paper, we focus on the kinematical properties of hierarchical levels of fibrils and evaluate the number of the bracing elements for the rigidity and its computational complexity. The presented model is a good characterization of the frameworks of bio-fibrils such as microtubules, cellulose, which inspired this work. Copyright © 2016 Elsevier Ltd. All rights reserved.

Synthesis of ZnO thin film by sol-gel spin coating technique for H2S gas sensing application

NASA Astrophysics Data System (ADS)

Nimbalkar, Amol R.; Patil, Maruti G.

2017-12-01

In this present work, zinc oxide (ZnO) thin film synthesized by a simple sol-gel spin coating technique. The structural, morphology, compositional, microstructural, optical, electrical and gas sensing properties of the film were studied by using XRD, FESEM, EDS, XPS, HRTEM, Raman, FTIR and UV-vis techniques. The ZnO thin film shows hexagonal wurtzite structure with a porous structured morphology. Gas sensing performance of synthesized ZnO thin film was tested initially for H2S gas at different operating temperatures as well as concentrations. The maximum gas response is achieved towards H2S gas at 300 °C operating temperature, at 100 ppm gas concentration as compared to other gases like CH3OH, Cl2, NH3, LPG, CH3COCH3, and C2H5OH with a good stability.

The well-designed hierarchical structure of Musa basjoo for supercapacitors

PubMed Central

Zheng, Kaiwen; Fan, Xiaorong; Mao, Yingzhu; Lin, Jingkai; Dai, Wenxuan; Zhang, Junying; Cheng, Jue

2016-01-01

Application of biological structure is one of the hottest topics in the field of science and technology. The unimaginable and excellent architectures of living beings supporting their vital activities have attracted the interests of worldwide researchers. An intriguing example is Musa basjoo which belongs to the herb, while appears like a tree. The profound mystery of structure and potential application of Musa basjoo have not been probed. Here we show the finding of the hierarchical structure of Musa basjoo and the outstanding electrochemical performance of the super-capacitors fabricated through the simple carbonization of Musa basjoo followed by KOH activation. Musa basjoo has three layers of structure: nanometer-level, micrometer-level and millimeter-level. The nanometer-level structure constructs the micrometer-level structure, while the micrometer-level structure constructs the millimeter-level structure. Based on this hierarchical structure, Musa basjoo reduces the unnecessary weight and therefore supports its huge body. The super-capacitors derived from Musa basjoo display a high specific capacitance and a good cycling stability. This enlightening work opens a window for the applications of the natural structure and we hope that more and more people could pay attention to the bio-inspired materials. PMID:26842714

The well-designed hierarchical structure of Musa basjoo for supercapacitors.

PubMed

Zheng, Kaiwen; Fan, Xiaorong; Mao, Yingzhu; Lin, Jingkai; Dai, Wenxuan; Zhang, Junying; Cheng, Jue

2016-02-04

Application of biological structure is one of the hottest topics in the field of science and technology. The unimaginable and excellent architectures of living beings supporting their vital activities have attracted the interests of worldwide researchers. An intriguing example is Musa basjoo which belongs to the herb, while appears like a tree. The profound mystery of structure and potential application of Musa basjoo have not been probed. Here we show the finding of the hierarchical structure of Musa basjoo and the outstanding electrochemical performance of the super-capacitors fabricated through the simple carbonization of Musa basjoo followed by KOH activation. Musa basjoo has three layers of structure: nanometer-level, micrometer-level and millimeter-level. The nanometer-level structure constructs the micrometer-level structure, while the micrometer-level structure constructs the millimeter-level structure. Based on this hierarchical structure, Musa basjoo reduces the unnecessary weight and therefore supports its huge body. The super-capacitors derived from Musa basjoo display a high specific capacitance and a good cycling stability. This enlightening work opens a window for the applications of the natural structure and we hope that more and more people could pay attention to the bio-inspired materials.

The well-designed hierarchical structure of Musa basjoo for supercapacitors

NASA Astrophysics Data System (ADS)

Zheng, Kaiwen; Fan, Xiaorong; Mao, Yingzhu; Lin, Jingkai; Dai, Wenxuan; Zhang, Junying; Cheng, Jue

2016-02-01

Application of biological structure is one of the hottest topics in the field of science and technology. The unimaginable and excellent architectures of living beings supporting their vital activities have attracted the interests of worldwide researchers. An intriguing example is Musa basjoo which belongs to the herb, while appears like a tree. The profound mystery of structure and potential application of Musa basjoo have not been probed. Here we show the finding of the hierarchical structure of Musa basjoo and the outstanding electrochemical performance of the super-capacitors fabricated through the simple carbonization of Musa basjoo followed by KOH activation. Musa basjoo has three layers of structure: nanometer-level, micrometer-level and millimeter-level. The nanometer-level structure constructs the micrometer-level structure, while the micrometer-level structure constructs the millimeter-level structure. Based on this hierarchical structure, Musa basjoo reduces the unnecessary weight and therefore supports its huge body. The super-capacitors derived from Musa basjoo display a high specific capacitance and a good cycling stability. This enlightening work opens a window for the applications of the natural structure and we hope that more and more people could pay attention to the bio-inspired materials.

Covalent immobilization of metal organic frameworks onto chemical resistant poly(ether ether ketone) jacket for stir bar extraction.

PubMed

Wang, Chenlu; Zhou, Wei; Liao, Xiaoyan; Wang, Xuemei; Chen, Zilin

2018-09-26

Preparation of stir bar extraction (SBSE) device with high physical and chemical stability is important and challenging by date. A novel poly (ether ether ketone) (PEEK) tube with excellent mechanical property and chemical stability was firstly used as jacket of metal bar for preparation of stir bar. By employing covalent modification method, the inherent chemical resistant problem of PEEK which restricts the modification of sorbents was well solved. After functionalization, plenty of benzoic acid groups were formed onto the PEEK jacket. Metal organic frameworks of aluminium-based Materials of Institute Lavoisier-68 (MIL-68) was in situ immobilized onto the PEEK surface (MIL-68@PEEK) by the bonding with benzoic acid groups. Afterwards, a facile dumbbell-shaped structure was designed for reducing the friction between sorbents and bottom of container. Due to superior property of the PEEK jacket and the covalent modification method, the MIL-68 modified PEEK jacket SBSE device showed good robustness. After coupling with HPLC-MS/MS, the MIL-68@PEEK-based SBSE device was used to analyse of three parabens including methyl paraben, ethyl paraben and propyl paraben. The method had low limit detection up to 1 pg mL -1 with good linearity (R 2  ≥ 0.9978) and good reproducibility (relative standard deviation ≤ 9.74%). The method has been applied to the detection of parabens in cosmetics and rabbit plasma after painted with cosmetics with recoveries between 73.25% and 104.23%. Copyright © 2018 Elsevier B.V. All rights reserved.

The validity and reliability of a dynamic neuromuscular stabilization-heel sliding test for core stability.

PubMed

Cha, Young Joo; Lee, Jae Jin; Kim, Do Hyun; You, Joshua Sung H

2017-10-23

Core stabilization plays an important role in the regulation of postural stability. To overcome shortcomings associated with pain and severe core instability during conventional core stabilization tests, we recently developed the dynamic neuromuscular stabilization-based heel sliding (DNS-HS) test. The purpose of this study was to establish the criterion validity and test-retest reliability of the novel DNS-HS test. Twenty young adults with core instability completed both the bilateral straight leg lowering test (BSLLT) and DNS-HS test for the criterion validity study and repeated the DNS-HS test for the test-retest reliability study. Criterion validity was determined by comparing hip joint angle data that were obtained from BSLLT and DNS-HS measures. The test-retest reliability was determined by comparing hip joint angle data. Criterion validity was (ICC2,3) = 0.700 (p< 0.05), suggesting a good relationship between the two core stability measures. Test-retest reliability was (ICC3,3) = 0.953 (p< 0.05), indicating excellent consistency between the repeated DNS-HS measurements. Criterion validity data demonstrated a good relationship between the gold standard BSLLT and DNS-HS core stability measures. Test-retest reliability data suggests that DNS-HS core stability was a reliable test for core stability. Clinically, the DNS-HS test is useful to objectively quantify core instability and allow early detection and evaluation.

Metal-Free Cataluminescence Gas Sensor for Hydrogen Sulfide Based on Its Catalytic Oxidation on Silicon Carbide Nanocages.

PubMed

Wu, Liqian; Zhang, Lichun; Sun, Mingxia; Liu, Rui; Yu, Lingzhu; Lv, Yi

2017-12-19

Cataluminescence- (CTL-) based sensors are among the most attractive and effective tools for gas sensing, owing to their efficient selectivity, high sensitivity, and rapidity. As the sensing materials of CTL-based sensors, metal-based catalysts easily bring about high costs and environmental pollution of heavy metals. More importantly, the long-term stability of metal-based catalysts is usually rather poor. Metal-free catalysts have unique advantages such as environmental friendliness, low costs, and long-term stability, making them promising materials for CTL-based sensors. Herein, we report the fabrication of a CTL sensor based on a metal-free catalyst. F-doped cage-like SiC was synthesized by wet chemical etching. The as-prepared products showed a rapid, stable, highly selective, and sensitive cataluminescent response to H 2 S. The stability of the sensor was demonstrated to be fairly good for at least 15 days. After CTL tests, F-doped cage-like SiC retained its original morphology, structure, and chemical composition. In addition, to the best of our knowledge, this is the first report of a metal-free CTL sensor. Metal-free catalysts are environmentally friendly and low in cost and exhibit long-term stability, which could open a new avenue of CTL sensing.

Large Eddy Simulations of the Vortex-Flame Interaction in a Turbulent Swirl Burner

NASA Astrophysics Data System (ADS)

Lu, Zhen; Elbaz, Ayman M.; Hernandez Perez, Francisco E.; Roberts, William L.; Im, Hong G.

2017-11-01

A series of swirl-stabilized partially premixed flames are simulated using large eddy simulation (LES) along with the flamelet/progress variable (FPV) model for combustion. The target burner has separate and concentric methane and air streams, with methane in the center and the air flow swirled through the tangential inlets. The flame is lifted in a straight quarl, leading to a partially premixed state. By fixing the swirl number and air flow rate, the fuel jet velocity is reduced to study flame stability as the flame approaches the lean blow-off limit. Simulation results are compared against measured data, yielding a generally good agreement on the velocity, temperature, and species mass fraction distributions. The proper orthogonal decomposition (POD) method is applied on the velocity and progress variable fields to analyze the dominant unsteady flow structure, indicating a coupling between the precessing vortex core (PVC) and the flame. The effects of vortex-flame interactions on the stabilization of the lifted swirling flame are also investigated. For the stabilization of the lifted swirling flame, the effects of convection, enhanced mixing, and flame stretching introduced by the PVC are assessed based on the numerical results. This research work was sponsored by King Abdullah University of Science and Technology (KAUST) and used computational resources at KAUST Supercomputing Laboratory.

Layered Crystal Structure, Color-Tunable Photoluminescence, and Excellent Thermal Stability of MgIn2P4O14 Phosphate-Based Phosphors.

PubMed

Zhang, Jing; Cai, Ge-Mei; Yang, Lv-Wei; Ma, Zhi-Yuan; Jin, Zhan-Peng

2017-11-06

Single-component white phosphors stand a good chance to serve in the next-generation high-power white light-emitting diodes. Because of low thermal stability and containing lanthanide ions with reduced valence state, most of reported phosphors usually suffer unstable color of lighting for practical packaging and comparably complex synthetic processes. In this work, we present a type of novel color-tunable blue-white-yellow-emitting MgIn 2 P 4 O 14 :Tm 3+ /Dy 3+ phosphor with high thermal stability, which can be easily fabricated in air. Under UV excitation, the MgIn 2 P 4 O 14 :Tm 0.02 Dy 0.03 white phosphor exhibits negligible thermal-quenching behavior, with a 99.5% intensity retention at 150 °C, relative to its initial value at room temperature. The phosphor host MgIn 2 P 4 O 14 was synthesized and reported for the first time. MgIn 2 P 4 O 14 crystallizes in the space group of C2/c (No. 15) with a novel layered structure built of alternate anionic and cationic layers. Its disordering structure, with Mg and In atoms co-occupying the same site, is believed to facilitate the energy transfer between rare-earth ions and benefit by sustaining the luminescence with increasing temperature. The measured absolute quantum yields of MgIn 2 P 4 O 14 :Dy 0.04 , MgIn 2 P 4 O 14 :Tm 0.01 Dy 0.04 , and MgIn 2 P 4 O 14 :Tm 0.02 Dy 0.03 phosphors under the excitation of 351 nm ultraviolet radiation are 70.50%, 53.24%, and 52.31%, respectively. Present work indicates that the novel layered MgIn 2 P 4 O 14 is a promising candidate as a single-component white phosphor host with an excellent thermal stability for near-UV-excited white-light-emitting diodes (wLEDs).

Biaxially stretchable supercapacitors based on the buckled hybrid fiber electrode array

NASA Astrophysics Data System (ADS)

Zhang, Nan; Zhou, Weiya; Zhang, Qiang; Luan, Pingshan; Cai, Le; Yang, Feng; Zhang, Xiao; Fan, Qingxia; Zhou, Wenbin; Xiao, Zhuojian; Gu, Xiaogang; Chen, Huiliang; Li, Kewei; Xiao, Shiqi; Wang, Yanchun; Liu, Huaping; Xie, Sishen

2015-07-01

In order to meet the growing need for smart bionic devices and epidermal electronic systems, biaxial stretchability is essential for energy storage units. Based on porous single-walled carbon nanotube/poly(3,4-ethylenedioxythiophene) (SWCNT/PEDOT) hybrid fiber, we designed and fabricated a biaxially stretchable supercapacitor, which possesses a unique configuration of the parallel buckled hybrid fiber array. Owing to the reticulate SWCNT film and the improved fabrication technique, the hybrid fiber retained its porous architecture both outwardly and inwardly, manifesting a superior capacity of 215 F g-1. H3PO4-polyvinyl alcohol gel with an optimized component ratio was introduced as both binder and stretchable electrolyte, which contributed to the regularity and stability of the buckled fiber array. The buckled structure and the quasi one-dimensional character of the fibers endow the supercapacitor with 100% stretchability along all directions. In addition, the supercapacitor exhibited good transparency, as well as excellent electrochemical properties and stability after being stretched 5000 times.In order to meet the growing need for smart bionic devices and epidermal electronic systems, biaxial stretchability is essential for energy storage units. Based on porous single-walled carbon nanotube/poly(3,4-ethylenedioxythiophene) (SWCNT/PEDOT) hybrid fiber, we designed and fabricated a biaxially stretchable supercapacitor, which possesses a unique configuration of the parallel buckled hybrid fiber array. Owing to the reticulate SWCNT film and the improved fabrication technique, the hybrid fiber retained its porous architecture both outwardly and inwardly, manifesting a superior capacity of 215 F g-1. H3PO4-polyvinyl alcohol gel with an optimized component ratio was introduced as both binder and stretchable electrolyte, which contributed to the regularity and stability of the buckled fiber array. The buckled structure and the quasi one-dimensional character of the fibers endow the supercapacitor with 100% stretchability along all directions. In addition, the supercapacitor exhibited good transparency, as well as excellent electrochemical properties and stability after being stretched 5000 times. Electronic supplementary information (ESI) available: SEM images of the twist-first hybrid fiber, TEM images of SWCNT/PEDOT hybrid bundles, Raman spectra and FTIR spectra of the hybrid electrodes, CVs of the pristine, bended and wound supercapacitor, transmittance spectra of the pristine and stretched supercapacitor, demo video of the supercapacitor. See DOI: 10.1039/c5nr03027g

Eco-friendly wood-based solid-state flexible supercapacitors from wood transverse section slice and reduced graphene oxide

NASA Astrophysics Data System (ADS)

Lv, Shaoyi; Fu, Feng; Wang, Siqun; Huang, Jingda; Hu, La

2015-07-01

An interesting wood-based all-solid-state supercapacitor is produced using reduced graphene oxide (RGO) coated on wood transverse section slice (WTSS) as electrode material by means of a low-cost, eco-friendly, and simple method for the first time. The RGO-coated WTSS electrode has a porous 3D honeycomb framework due to the hierarchical cellular structure of the WTSS substrate and can function as an electrolyte reservoir. This special construction endows this novel electrode with good areal capacitance (102 mF cm-2) and excellent cyclic stability (capacitance retention of 98.9% after 5000 cycles). In addition, the supercapacitors exhibit good mechanical flexibility and preserve almost constant capacitive behavior under different bending conditions. Our study introduces a new and eco-friendly material design for electrodes in future flexible energy storage devices that closely resemble natural materials. [Figure not available: see fulltext.

CTAB-Aided Synthesis of Stacked V2O5 Nanosheets: Morphology, Electrochemical Features and Asymmetric Device Performance

NASA Astrophysics Data System (ADS)

Saravanakumar, B.; Maruthamuthu, S.; Umadevi, V.; Saravanan, V.

To accomplish superior performance in supercapacitors, a fresh class of electrode materials with advantageous structures is essential. Owing to its rich electrochemical activity, vanadium oxides are considered to be an attractive electrode material for energy storing devices. In this work, vanadium pentoxide (V2O5) nanostructures were prepared using surfactant (CTAB)-assisted hydrothermal route. Stacked V2O5 sheets enable additional channels for electrolyte ion intercalation. These stacked V2O5 nanosheets show highest specific capacitance of 466Fg-1 at 0.5Ag-1. In addition, it exhibits good rate capacity, lower value of charge transfer resistance and good stability when used as an electrode material for supercapacitors. Further, an asymmetric supercapacitor device was assembled utilizing the stacked V2O5 sheets and activated carbon as electrodes. The electrochemical features of the device are also discussed.

Iridium Clusters Encapsulated in Carbon Nanospheres as Nanocatalysts for Methylation of (Bio)Alcohols.

PubMed

Liu, Qiang; Xu, Guoqiang; Wang, Zhendong; Liu, Xiaoran; Wang, Xicheng; Dong, Linlin; Mu, Xindong; Liu, Huizhou

2017-12-08

C-H methylation is an attractive chemical transformation for C-C bonds construction in organic chemistry, yet efficient methylation of readily available (bio)alcohols in water using methanol as sustainable C1 feedstock is limited. Herein, iridium nanocatalysts encapsulated in yolk-shell-structured mesoporous carbon nanospheres (Ir@YSMCNs) were synthesized for this transformation. Monodispersed Ir clusters (ca. 1.0 nm) were encapsulated in situ and spatially isolated within YSMCNs by a silica-assisted sol-gel emulsion strategy. A selection of (bio)alcohols (19 examples) was selectively methylated in aqueous phase with good-to-high yields over the developed Ir@YSMCNs. The improved catalytic efficiencies in terms of activity and selectivity together with the good stability and recyclability were contributable to the ultrasmall Ir clusters with oxidation chemical state as a consequence of the confinement effect of YSMCNs with interconnected nanostructures. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fabrication of Porous Ceramic-Geopolymer Based Material to Improve Water Absorption and Retention in Construction Materials: A Review

NASA Astrophysics Data System (ADS)

Jamil, N. H.; Ibrahim, W. M. A. W.; Abdullah, M. M. A. B.; Sandu, A. V.; Tahir, M. F. M.

2017-06-01

Porous ceramic nowadays has been investigated for a variety of its application such as filters, lightweight structural component and others due to their specific properties such as high surface area, stability and permeability. Besides, it has the properties of low thermal conductivity. Various formation techniques making these porous ceramic properties can be tailored or further fine-tuned to obtain the optimum characteristic. Porous materials also one of the good candidate for absorption properties. Conventional construction materials are not design to have good water absorption and retention that lead to the poor performance on these criteria. Temperature is a major driving force for moisture movement and influences sorption characteristics of many constructions materials. The effect of elevated temperatures on the water absorption coefficient and retention remain as critical issue that need to be investigated. Therefore, this paper will review the process parameters in fabricating porous ceramic for absorption properties.

Preparation and characterization of antibacterial electrospun chitosan/poly (vinyl alcohol)/graphene oxide composite nanofibrous membrane

NASA Astrophysics Data System (ADS)

Yang, Shuai; Lei, Peng; Shan, Yujuan; Zhang, Dawei

2018-03-01

In this paper, chitosan (CS)/poly (vinyl alcohol) (PVA)/graphene oxide (GO) composite nanofibrous membranes were prepared via electrospinning. Such nanofibrous membranes have been characterized and investigated for their morphological, structural, thermal stability, hydrophilic and antibacterial properties. SEM images showed that the uniform and defect-free nanofibers were obtained and GO sheets, shaping spindle and spherical, were partially embedded into nanofibers. FTIR, XRD, DSC and TGA indicated the good compatibility between CS and PVA. There were strong intermolecular hydrogen bonds between the chitosan and PVA molecules. Contact angle measurement indicated that while increasing the content of GO, the distance between fibers increased and water drop showed wetting state on the surface of nanofibrous membranes. As a result, the contact angle decreased significantly. Meanwhile, good antibacterial activity of the prepared nanofibrous membranes were exhibited against Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus.

SiP monolayers: New 2D structures of group IV-V compounds for visible-light photohydrolytic catalysts

NASA Astrophysics Data System (ADS)

Ma, Zhinan; Zhuang, Jibin; Zhang, Xu; Zhou, Zhen

2018-06-01

Because of graphene and phosphorene, two-dimensional (2D) layered materials of group IV and group V elements arouse great interest. However, group IV-V monolayers have not received due attention. In this work, three types of SiP monolayers were computationally designed to explore their electronic structure and optical properties. Computations confirm the stability of these monolayers, which are all indirect-bandgap semiconductors with bandgaps in the range 1.38-2.21 eV. The bandgaps straddle the redox potentials of water at pH = 0, indicating the potential of the monolayers for use as watersplitting photocatalysts. The computed optical properties demonstrate that certain monolayers of SiP 2D materials are absorbers of visible light and would serve as good candidates for optoelectronic devices.

Theoretical investigation of geometries, stabilities, electronic and optical properties for advanced Ag{sub n}@(ZnO){sub 42} (n=6-18) hetero-nanostructure

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

Cheng, Hai-Xia; Department of Physics, National University of Singapore, 117542; Wang, Xiao-Xu

The structural properties of Ag{sub n}@(ZnO){sub 42} (n=6-18) core-shell nanoparticles have been investigated by the first principles calculations, and the core-shell nanostructure with n=13 is proved to be the most stable one for the first time. Ag{sub 13}@(ZnO){sub 42} core-shell nanostructure possesses higher chemistry activity and shows a red shift phenomenon in the light of the absorption spectrum compare to the (ZnO){sub 48}, this can be confirmed by the calculated electron structure. The visible-light could be absorbed by Ag{sub 13}@(ZnO){sub 42} to improve the photo-catalysis of (ZnO){sub 48} nanostructure. Our results show good agreement with experiments.

A novel hydrogen peroxide biosensor based on hemoglobin-collagen-CNTs composite nanofibers.

PubMed

Li, J; Mei, H; Zheng, W; Pan, P; Sun, X J; Li, F; Guo, F; Zhou, H M; Ma, J Y; Xu, X X; Zheng, Y F

2014-06-01

In this paper, carbon nanotubes (CNTs) were successfully incorporated in the composite composed of hemoglobin (Hb) and collagen using co-electrospinning technology. The formed Hb-collagen-CNTs composite nanofibers possessed distinct advantage of three-dimensional porous structure, biocompatibility and excellent stability. The Hb immobilized in the electrospun nanofibers retained its natural structure and the heterogeneous electron transfer rate constant (ks) of the direct electron transfer between Hb and electrodes was 5.3s(-1). In addition, the electrospun Hb-collagen-CNTs nanofibers modified electrodes showed good electrocatalytic properties toward H2O2 with a detection limit of 0.91μM (signal-to-noise ratio of 3) and the apparent Michaelis-Menten constant (Km(app)) of 32.6μM. Copyright © 2014 Elsevier B.V. All rights reserved.

Nitrogen-doped carbon coated MnO nanopeapods as superior anode materials for lithium ion batteries

NASA Astrophysics Data System (ADS)

Ding, Yu; Chen, Lihui; Pan, Pei; Du, Jun; Fu, Zhengbing; Qin, Caiqin; Wang, Feng

2017-11-01

High performance nitrogen-doped carbon (NC) materials decorated with MnO hybrid (MnO@NC) composites with a nanopeapod appearance were synthesized by with a simple hydrothermal method and insuit-polymeric route. As an anode material for lithium ion batteries (LIBs), the nanopeapod structure of MnO@NC composites with internal void spaces exhibits good rate capability, high conductivity and excellent cycling stability. After 200 cycles, the nanopeapod composites yield a specific capacity of 775.4 mAh g-1 at 100 mA g-1 and a high-rate capacity of 559.7 mAh g-1 at 1000 mA g-1. The proposed synthesis of nanopeapod structure composites with an internal room is an efficient design with excellent electrode materials for rechargeable LIBs.

Doping and defect structure of mixed-conducting ceramics for gas separation

NASA Astrophysics Data System (ADS)

Zuo, Chendong

A worldwide energy crisis and increasing environmental concerns are strong incentives for using hydrogen as a sustainable and clean energy source. "Hydrogen economy" has been around since 1970s, but it started to look practicable only in recent years. The trend in the future is to switch from using hydrogen as the basic raw material in the chemical industry to the energy carrier in the transportation and distributed energy industries. To meet the expected rising demand, hydrogen has to be generated in a more cost-effective manner. As one of the most important operation units in the hydrogen production, a high performance hydrogen separation membrane system is essential to the coming hydrogen economy. The project of hydrogen separation membrane based on Mixed ionic and electronic conductor (MIEC) composite was initiated by DoE years ago, and the MIEC membrane has been developed in Argonne National Laboratory (ANL) for several years. The goal at ANL is to develop a dense, ceramic-based MIEC membrane that is highly selective, chemical stable in practical environments at operative temperatures up to ≈900°C, and can separate hydrogen from mixed gases at commercially significant fluxes under industrially relevant operating conditions, without the need for electrodes or electrical circuitry. The effort at ANL initially focused on BCY20 (BaCe0.8Y 0.2O3). BCY20 forms the matrix of ANL-1a and -2a ceramic-metal composite membranes (40-50 vol.% of a metal is dispersed in a ceramic matrix) and its bulk transport properties, including ionic transfer number, ionic and electronic conductivity, and chemical and mechanical stability have been systematically studied. However, exposure to CO2 and H2O-containing atmospheres, as would be present in a practical environment, will degrade the material as it reacts to form insulating barium carbonate (BaCO3 ) and cerium oxide (CeO2). This decomposition greatly limits its applicability in hydrogen separation, despite the promising properties of this material. The combination of high proton conductivity and good chemical stability, which is a prerequisite for the application of MIEC compounds, is generally considered to be a key problem. In choosing good materials for H2 separation membrane, defect structure, and hence transport properties of perovskites, which are strongly influenced by the oxidation states and ionic radii of dopants, are very critical. Therefore it is the goal of this research to gain a fundamental understanding of the correlation between the defect chemistry and the properties of perovskite structure materials, so as to allow the engineering of these materials with the desired properties for the application in industry, such as developing membranes of mixed conductors which have good stability in practical atmospheres. With respect to thermodynamic stability, water solubility limit and mobility of protonic defects the occupation of the A-site does not require much of a compromise. Except for the stability with acidic gases, which is almost independent of the choice of the A-cation, all relevant properties are superior for an A-site occupation by the big barium compared to other alkaline earth ions. Addition of acceptor dopants into ABO3 is crucial to proton uptake. A high concentration of protonic defects requires a high acceptor dopants concentration. Dopants are incorporated into the lattice at either A or B-sites with the respective creation of charge-compensating oxygen vacancies and A-site vacancies. Smaller dopants preferentially substitute at the B-site, while larger cations substitute at the A-site. Partial occupation of the A sublattice can explain the low uptake of protons. The yttrium seems to be perfect acceptor dopant choice for BaZrO3, BaCeO3-based materials, and both the proton mobility and the thermodynamics of hydration are practically unchanged for dopant levels up to 20% Y. The choice of the B-cation, however, requires some compromising. It should be of medium size. High packing densities as a result of small B-cations reduce the water solubility limit, while though the high proton mobilities are compatible with loosely packed structure; the poor compatibility of big B-cations with the perovskite structure reduces the thermodynamic stability including the stability in acidic gases. Empirically high chemical stability and high proton conductivity still seem to exclude one another for simple alkaline earth perovskites. But there is seemingly still room for discoveries among 'old and new' oxide material. We are investigating various possible alternatives to BCY based on the understanding of defect chemistry of doped perovskite structure materials. BCY20 is one of the best proton conductors among this class of conductors, however, not stable in the CO2, H2O-containing atmospheres. In contrast, yttrium-doped barium zirconates have good chemical stability but are undesirable because of their relatively low conductivity and high sintering temperature. Since BaCeO3 and BaZrO3 can easily form solid solutions, it is possible to replace any desired fraction of the Ce in BaCeO3 with Zr, and the solid solution between cerate and zirconate has both high protonic conductivity and good chemical stability. BZCY proton conductors with various compositions (0.0≤x≤0.8) have been synthesized and characterized. The absence of low-angle supercell reflections indicates a random B-site cation distribution. The substitution of Zr led to a decrease in cell volume and an enhanced structural stability against reactions with CO2. The total conductivity for BZCY pellets of all composition increased with temperature increased and decreased as the zirconium content increased from 10% to 40% at each fixed temperature in wet 4% H2/N2 atmosphere. BZCY7 [Ba(Zr0.1Ce 0.7Y0.2)O3] showed pronounced proton conduction within the bulk and along the grain boundaries. Total conductivity increased from 0.015 S/cm at 550°C to 0.043 S/cm at 850°C for BZCY7 smaple, which is highest among all Ba(Zr0.8-xCexY0.2)O 3 (0.4≤x≤0.7) compositions. However, the relatively low electronic conductivity is not adequate for the hydrogen separation membrane to be used in a non-galvanic operation mode, electronic conduction must been introduced into the proton conductor to create mixed ionic-electronic conductors. Dense Ni-BZCY [Ni-Ba(Zr0.8-xCexY0.2)O 3-alpha] cermet composite membranes have been successfully fabricated for evaluating hydrogen permeability, and stability. Nickel phase enhances the hydrogen permeability of the ceramic phase by increasing the electronic conductivity of the composite, surface exchange kinetics, and improving mechanical stability. By comparing the BEI images of BZCY cermets with different Zirconium content, we can tell the grain size, shape and distribution of two phases are insensitive to the zirconium content. Doping Zirconium in the B-site only slightly reduced the hydrogen permeation at high temperatures (e.g. 900°C), but dramatically increased the chemical stability in CO2- and H2O-containing gases. The hydrogen permeation fluxes of Ni-BZCY cermet membrane increased with temperature for all the compositions and the flux decreased as the zirconium content increased at each fixed temperature, but they are comparable to that of Ni-BCY for the lower zirconium content samples (x=0.6, 0.7). While the hydrogen permeation flux through a Ni-BCY cermet membrane decreased sharply upon exposure to wet CO2 atmospheres, the hydrogen permeation flux of a Ni-BZCY was relatively stable for 80 h in atmospheres containing up to 30% CO2 at 900°C after a small initial decrease. Among the compositions studied (0.4≤x≤0.7), the Ni-BZCY7 (x=0.7) composition exhibited both highest H2 permeation rate and good chemistry stability, thus having potential for practical applications. The Ni-BZCY7 membrane was chose to further study based on the best overall performance. The hydrogen flux through a Ni-BZCY7 cermet membrane increased with temperature under both dry and wet conditions. The fact of increasing hydrogen flux by adding moisture to the feed gas or increasing the hydrogen partial pressure gradient across the membrane implies that the hydrogen flux through the Ni-BZCY7 cermet membrane is limited by the proton transport through the ceramic BZCY7 phase. The dependence of hydrogen flux on membrane thickness indicates that the flux is limited by the bulk diffusion of hydrogen through the ceramic phase over the range of thicknesses that were studied (0.25-1.0 mm). Although interfacial reactions are expected to become important for thinner membranes, these results suggest that we can further increase the hydrogen flux by decreasing the membrane thickness. The highest measured hydrogen flux was 0.805 cm3/min-cm 2 for a dense 266-mum-thick membrane at 900°C using 100% H 2 as the feed gas. The hydrogen fluxes through membrane were stable, after a small initial decrease, for 80 h in atmospheres containing up to 30% CO2 at 900°C, implying that Ni-BZCY7 membranes might be suitable for practical applications.

46 CFR 45.103 - Structural stress and stability.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 2 2010-10-01 2010-10-01 false Structural stress and stability. 45.103 Section 45.103... Conditions of Assignment § 45.103 Structural stress and stability. (a) The nature and stowage of the cargo... structural stress. (b) The vessel must meet all applicable stability and subdivision requirements of this...

46 CFR 45.103 - Structural stress and stability.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 2 2012-10-01 2012-10-01 false Structural stress and stability. 45.103 Section 45.103... Conditions of Assignment § 45.103 Structural stress and stability. (a) The nature and stowage of the cargo... structural stress. (b) The vessel must meet all applicable stability and subdivision requirements of this...

46 CFR 45.103 - Structural stress and stability.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 2 2013-10-01 2013-10-01 false Structural stress and stability. 45.103 Section 45.103... Conditions of Assignment § 45.103 Structural stress and stability. (a) The nature and stowage of the cargo... structural stress. (b) The vessel must meet all applicable stability and subdivision requirements of this...

46 CFR 45.103 - Structural stress and stability.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 2 2014-10-01 2014-10-01 false Structural stress and stability. 45.103 Section 45.103... Conditions of Assignment § 45.103 Structural stress and stability. (a) The nature and stowage of the cargo... structural stress. (b) The vessel must meet all applicable stability and subdivision requirements of this...

46 CFR 45.103 - Structural stress and stability.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 2 2011-10-01 2011-10-01 false Structural stress and stability. 45.103 Section 45.103... Conditions of Assignment § 45.103 Structural stress and stability. (a) The nature and stowage of the cargo... structural stress. (b) The vessel must meet all applicable stability and subdivision requirements of this...

Temporal Stability of Multiple Response Systems to 7.5% Carbon Dioxide Challenge

PubMed Central

Roberson-Nay, Roxann; Gorlin, Eugenia I.; Beadel, Jessica R.; Cash, Therese; Vrana, Scott; Teachman, Bethany A.

2017-01-01

Self-reported anxiety, and potentially physiological response, to maintained inhalation of carbon dioxide (CO2) enriched air shows promise as a putative marker of panic reactivity and vulnerability. Temporal stability of response systems during low-dose, steady-state CO2 breathing challenge is lacking. Outcomes on multiple levels were measured two times, one week apart, in 93 individuals. Stability was highest during the CO2 breathing phase compared to pre-CO2 and recovery phases, with anxiety ratings, respiratory rate, skin conductance level, and heart rate demonstrating good to excellent temporal stability (ICCs ≥ 0.71). Cognitive symptoms tied to panic were somewhat less stable (ICC = 0.58) than physical symptoms (ICC = 0.74) during CO2 breathing. Escape/avoidance behaviors and DSM-5 panic attacks were not stable. Large effect sizes between task phases also were observed. Overall, results suggest good-excellent levels of temporal stability for multiple outcomes during respiratory stimulation via 7.5% CO2. PMID:28163046

Synthesis of Mesoporous Co2+-Doped TiO2 Nanodisks Derived from Metal Organic Frameworks with Improved Sodium Storage Performance.

PubMed

Hong, Zhensheng; Kang, Meiling; Chen, Xiaohui; Zhou, Kaiqiang; Huang, Zhigao; Wei, Mingdeng

2017-09-20

TiO 2 is a most promising anode candidate for rechargeable Na-ion batteries (NIBs) because of its appropriate working voltage, low cost, and superior structural stability during chage/discharge process. Nevertheless, it suffers from intrinsically low electrical conductivity. Herein, we report an in situ synthesis of Co 2+ -doped TiO 2 through the thermal treatment of metal organic frameworks precursors of MIL-125(Ti)-Co as a superior anode material for NIBs. The Co 2+ -doped TiO 2 possesses uniform nanodisk morphology, a large surface area and mesoporous structure with narrow pore distribution. The reversible capacity, Coulombic efficiency (CE) and rate capability can be improved by Co 2+ doping in mesoporous TiO 2 anode. Co 2+ -doped mesoporous TiO 2 nanodisks exhibited a high reversible capacity of 232 mAhg -1 at 0.1 Ag 1- , good rate capability and cycling stability with a stable capacity of about 140 mAhg -1 at 0.5 Ag 1- after 500 cycles. The enhanced Na-ion storage performance could be due to the increased electrical conductivity revealed by Kelvin probe force microscopy measurements.

Ultrathin dendrimer-graphene oxide composite film for stable cycling lithium-sulfur batteries.

PubMed

Liu, Wen; Jiang, Jianbing; Yang, Ke R; Mi, Yingying; Kumaravadivel, Piranavan; Zhong, Yiren; Fan, Qi; Weng, Zhe; Wu, Zishan; Cha, Judy J; Zhou, Henghui; Batista, Victor S; Brudvig, Gary W; Wang, Hailiang

2017-04-04

Lithium-sulfur batteries (Li-S batteries) have attracted intense interest because of their high specific capacity and low cost, although they are still hindered by severe capacity loss upon cycling caused by the soluble lithium polysulfide intermediates. Although many structure innovations at the material and device levels have been explored for the ultimate goal of realizing long cycle life of Li-S batteries, it remains a major challenge to achieve stable cycling while avoiding energy and power density compromises caused by the introduction of significant dead weight/volume and increased electrochemical resistance. Here we introduce an ultrathin composite film consisting of naphthalimide-functionalized poly(amidoamine) dendrimers and graphene oxide nanosheets as a cycling stabilizer. Combining the dendrimer structure that can confine polysulfide intermediates chemically and physically together with the graphene oxide that renders the film robust and thin (<1% of the thickness of the active sulfur layer), the composite film is designed to enable stable cycling of sulfur cathodes without compromising the energy and power densities. Our sulfur electrodes coated with the composite film exhibit very good cycling stability, together with high sulfur content, large areal capacity, and improved power rate.

Metallic CoS2 nanowire electrodes for high cycling performance supercapacitors

NASA Astrophysics Data System (ADS)

Ren, Ren; Faber, Matthew S.; Dziedzic, Rafal; Wen, Zhenhai; Jin, Song; Mao, Shun; Chen, Junhong

2015-12-01

We report metallic cobalt pyrite (CoS2) nanowires (NWs) prepared directly on current collecting electrodes, e.g., carbon cloth or graphite disc, for high-performance supercapacitors. These CoS2 NWs have a variety of advantages for supercapacitor applications. Because the metallic CoS2 NWs are synthesized directly on the current collector, the good electrical connection enables efficient charge transfer between the active CoS2 materials and the current collector. In addition, the open spaces between the sea urchin structure NWs lead to a large accessible surface area and afford rapid mass transport. Moreover, the robust CoS2 NW structure results in high stability of the active materials during long-term operation. Electrochemical characterization reveals that the CoS2 NWs enable large specific capacitance (828.2 F g-1 at a scan rate of 0.01 V s-1) and excellent long term cycling stability (0-2.5% capacity loss after 4250 cycles at 5 A g-1) for pseudocapacitors. This example of metallic CoS2 NWs for supercapacitor applications expands the opportunities for transition metal sulfide-based nanostructures in emerging energy storage applications.

Metallic CoS₂ nanowire electrodes for high cycling performance supercapacitors.

PubMed

Ren, Ren; Faber, Matthew S; Dziedzic, Rafal; Wen, Zhenhai; Jin, Song; Mao, Shun; Chen, Junhong

2015-12-11

We report metallic cobalt pyrite (CoS2) nanowires (NWs) prepared directly on current collecting electrodes, e.g., carbon cloth or graphite disc, for high-performance supercapacitors. These CoS2 NWs have a variety of advantages for supercapacitor applications. Because the metallic CoS2 NWs are synthesized directly on the current collector, the good electrical connection enables efficient charge transfer between the active CoS2 materials and the current collector. In addition, the open spaces between the sea urchin structure NWs lead to a large accessible surface area and afford rapid mass transport. Moreover, the robust CoS2 NW structure results in high stability of the active materials during long-term operation. Electrochemical characterization reveals that the CoS2 NWs enable large specific capacitance (828.2 F g(-1) at a scan rate of 0.01 V s(-1)) and excellent long term cycling stability (0-2.5% capacity loss after 4250 cycles at 5 A g(-1)) for pseudocapacitors. This example of metallic CoS2 NWs for supercapacitor applications expands the opportunities for transition metal sulfide-based nanostructures in emerging energy storage applications.

Effect of reducing system on capacitive behavior of reduced graphene oxide film: Application for supercapacitor

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

Akbi, Hamdane; Yu, Lei; Wang, Bin

2015-01-15

To determine the best chemical reduction of graphene oxide film with hydriodic acid that gives maximum energy and power density, we studied the effect of two reducing systems, hydriodic acid/water and hydriodic acid/acetic acid, on the morphology and electrochemical features of reduced graphene oxide film. Using acetic acid as solvent results in high electrical conductivity (5195 S m{sup −1}), excellent specific capacitance (384 F g{sup −1}) and good cyclic stability (about 98% of its initial response after 4000 cycles). Using water as a solvent, results in an ideal capacitive behavior and excellent cyclic stability (about 6% increase of its initialmore » response after 2100 cycles). - Graphical abstract: The choice of reducing system determines the morphology and structure of the chemically reduced graphene film and, as a result, affects largely the capacitive behavior. - Highlights: • The structure of the graphene film has a pronounced effect on capacitive behavior. • The use of water/HI as reducing system results in an ideal capacitive behavior. • The use of acetic acid/HI as reducing system results in a high specific capacitance.« less

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

Mahajan, Mani, E-mail: manimahajan86@gmail.com; Singla, Gourav, E-mail: gsinghla@gmail.com; Singh, K., E-mail: kusingh@thapar.edu

Carbon nanospheres of grape-like structure (CNS) with diameter ranging from 40 to 50 nm and wall thickness of 6–8 nm were synthesized by solvothermal route. The phase structure, morphology, microstructure, thermal stability, disorder and optical properties of synthesized CNS were investigated by various characterization techniques. The possible formation and growth mechanism for CNS were discussed on the basis of the in-build reaction conditions. The degradation study of organic pollutants (methylene blue) in UV light in the presence of synthesized CNS was done. The stability of the CNS in electrochemical performance was also discussed at the different potential window and comparedmore » its electrocatalytic activity with platinum supported on CNS which shows the better response for oxygen reduction reactions (ORR) at an optimized potential window (–0.2 to 1.0 V vs SCE). - Graphical abstract: A representative synthesis mechanism of carbon nano sphere (CNS) showing spherical morphology with its photo as well as electrocatalyst properties. - Highlights: • Carbon nanospheres (CNS) have been synthesized using in situ chemical-reduction route. • The bare CNS shows good luminescence and photocatalytic applications. • The Pt/CNS shows better electrochemical performance than the reported Pt/C.« less

Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods

NASA Astrophysics Data System (ADS)

Nepal, Niraj K.; Ruzsinszky, Adrienn; Bates, Jefferson E.

2018-03-01

The ground state structural and energetic properties for rocksalt and cesium chloride phases of the cesium halides were explored using the random phase approximation (RPA) and beyond-RPA methods to benchmark the nonempirical SCAN meta-GGA and its empirical dispersion corrections. The importance of nonadditivity and higher-order multipole moments of dispersion in these systems is discussed. RPA generally predicts the equilibrium volume for these halides within 2.4% of the experimental value, while beyond-RPA methods utilizing the renormalized adiabatic LDA (rALDA) exchange-correlation kernel are typically within 1.8%. The zero-point vibrational energy is small and shows that the stability of these halides is purely due to electronic correlation effects. The rAPBE kernel as a correction to RPA overestimates the equilibrium volume and could not predict the correct phase ordering in the case of cesium chloride, while the rALDA kernel consistently predicted results in agreement with the experiment for all of the halides. However, due to its reasonable accuracy with lower computational cost, SCAN+rVV10 proved to be a good alternative to the RPA-like methods for describing the properties of these ionic solids.

Thermoelectric properties and thermal stability of Bi-doped PbTe single crystal

NASA Astrophysics Data System (ADS)

Chen, Zhong; Li, Decong; Deng, Shuping; Tang, Yu; Sun, Luqi; Liu, Wenting; Shen, Lanxian; Yang, Peizhi; Deng, Shukang

2018-06-01

In this study, n-type Bi-doped single-crystal PbTe thermoelectric materials were prepared by melting and slow cooling method according to the stoichiometric ratio of Pb:Bi:Te = 1-x:x:1 (x = 0, 0.1, 0.15, 0.2, 0.25). The X-ray diffraction patterns of Pb1-xBixTe samples show that all main diffraction peaks are well matched with the PbTe matrix, which has a face-centered cubic structure with the space group Fm 3 bar m . Electron probe microanalysis reveals that Pb content decreases gradually, and Te content remains invariant basically with the increase of Bi content, indicating that Bi atoms are more likely to replace Pb atoms. Thermal analysis shows that the prepared samples possess relatively high thermal stability. Simultaneously, transmission electron microscopy and selected area electron diffraction pattern indicate that the prepared samples have typical single-crystal structures with good mechanical properties. Moreover, the electrical conductivity of the prepared samples improved significantly compared with that of the pure sample, and the maximum ZT value of 0.84 was obtained at 600 K by the sample with x = 0.2.

Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

NASA Astrophysics Data System (ADS)

Sebastian, S.; Sylvestre, S.; Jayarajan, D.; Amalanathan, M.; Oudayakumar, K.; Gnanapoongothai, T.; Jayavarthanan, T.

2013-01-01

In this work, we report harmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of Umbelliferone also known as 7-hydroxycoumarin (7HC). The optimized geometric bond lengths and bond angles obtained by computation (monomer and dimmer) shows good agreement with experimental XRD data. Harmonic frequencies of 7HC were determined and analyzed by DFT utilizing 6-311+G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The change in electron density (ED) in the σ* and π* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyperconjugation of hydrogen-bonded interaction. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. The simulated spectra satisfactorily coincides with the experimental spectra. Microbial activity of studied compounds was tested against Staphylococcus aureus, Streptococcus pyogenes, Bacillus subtilis, Escherichia coli, Psuedomonas aeruginosa, Klebsiella pneumoniae, Proteus mirabilis, Shigella flexneri, Salmonella typhi and Enterococcus faecalis.

Crystal structure and physicochemical characterization of ambazone monohydrate, anhydrous, and acetate salt solvate.

PubMed

Muresan-Pop, Marieta; Braga, Dario; Pop, Mihaela M; Borodi, Gheorghe; Kacso, Irina; Maini, Lucia

2014-11-01

The crystal structures of the monohydrate and anhydrous forms of ambazone were determined by single-crystal X-ray diffraction (SC-XRD). Ambazone monohydrate is characterized by an infinite three-dimensional network involving the water molecules, whereas anhydrous ambazone forms a two-dimensional network via hydrogen bonds. The reversible transformation between the monohydrate and anhydrous forms of ambazone was evidenced by thermal analysis, temperature-dependent X-ray powder diffraction and accelerated stability at elevated temperature, and relative humidity (RH). Additionally, a novel ambazone acetate salt solvate form was obtained and its nature was elucidated by SC-XRD. Powder dissolution measurements revealed a substantial solubility and dissolution rate improvement of acetate salt solvated form in water and physiological media compared with ambazone forms. Also, the acetate salt solvate displayed good thermal and solution stability but it transformed to the monohydrate on storage at elevated temperature and RH. Our study shows that despite the requirement for controlled storage conditions, the acetate salt solvated form could be an alternative to ambazone when solubility and bioavailability improvement is critical for the clinical efficacy of the drug product. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Multilayer SnSb4-SbSe Thin Films for Phase Change Materials Possessing Ultrafast Phase Change Speed and Enhanced Stability.

PubMed

Liu, Ruirui; Zhou, Xiao; Zhai, Jiwei; Song, Jun; Wu, Pengzhi; Lai, Tianshu; Song, Sannian; Song, Zhitang

2017-08-16

A multilayer thin film, comprising two different phase change material (PCM) components alternatively deposited, provides an effective means to tune and leverage good properties of its components, promising a new route toward high-performance PCMs. The present study systematically investigated the SnSb 4 -SbSe multilayer thin film as a potential PCM, combining experiments and first-principles calculations, and demonstrated that these multilayer thin films exhibit good electrical resistivity, robust thermal stability, and superior phase change speed. In particular, the potential operating temperature for 10 years is shown to be 122.0 °C and the phase change speed reaches 5 ns in the device test. The good thermal stability of the multilayer thin film is shown to come from the formation of the Sb 2 Se 3 phase, whereas the fast phase change speed can be attributed to the formation of vacancies and a SbSe metastable phase. It is also demonstrated that the SbSe metastable phase contributes to further enhancing the electrical resistivity of the crystalline state and the thermal stability of the amorphous state, being vital to determining the properties of the multilayer SnSb 4 -SbSe thin film.

Formation of highly structured cubic micellar lipid nanoparticles of soy phosphatidylcholine and glycerol dioleate and their degradation by triacylglycerol lipase.

PubMed

Wadsäter, Maria; Barauskas, Justas; Nylander, Tommy; Tiberg, Fredrik

2014-05-28

Lipid nanoparticles of reversed internal phase structures, such as cubic micellar (I2) structure show good drug loading ability of peptides and proteins as well as some small molecules. Due to their controllable small size and inner morphology, such nanoparticles are suitable for drug delivery using several different administration routes, including intravenous, intramuscular, and subcutaneous injection. A very interesting system in this regard, is the two component soy phosphatidylcholine (SPC)/glycerol dioleate (GDO) system, which depending on the ratio of the lipid components form a range of reversed liquid crystalline phases. For a 50/50 (w/w) ratio in excess water, these lipids have been shown to form a reversed cubic micellar (I2) phase of the Fd3m structure. Here, we demonstrate that this SPC/GDO phase, in the presence of small quantities (5-10 wt %) of Polysorbate 80 (P80), can be dispersed into nanoparticles, still with well-defined Fd3m structure. The resulting nanoparticle dispersion has a narrow size distribution and exhibit good long-term stability. In pharmaceutical applications, biodegradation pathways of the drug delivery vehicles and their components are important considerations. In the second part of the study we show how the structure of the particles evolves during exposure to a triacylglycerol lipase (TGL) under physiological-like temperature and pH. TGL catalyzes the lipolytic degradation of acylglycerides, such as GDO, to monoglycerides, glycerol, and free fatty acids. During the degradation, the interior phase of the particles is shown to undergo continuous phase transitions from the reversed I2 structure to structures of less negative curvature (2D hexagonal, bicontinuous cubic, and sponge), ultimately resulting in the formation of multilamellar vesicles.

38 CFR 21.6054 - Criteria for determining good employment potential.

Code of Federal Regulations, 2011 CFR

2011-07-01

...) Stabilization of medical conditions or substance abuse problems. (6) Participation in therapeutic work programs... good potential for achieving employment does not exist, a personal interview will be scheduled, and the...

Influence of hydrogen on the structure and stability of ultra-thin ZnO on metal substrates

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

Bieniek, Bjoern; Hofmann, Oliver T.; Institut für Festkörperphysik, TU Graz, 8010 Graz

2015-03-30

We investigate the atomic and electronic structure of ultra-thin ZnO films (1 to 4 layers) on the (111) surfaces of Ag, Cu, Pd, Pt, Ni, and Rh by means of density-functional theory. The ZnO monolayer is found to adopt an α-BN structure on the metal substrates with coincidence structures in good agreement with experiment. Thicker ZnO layers change into a wurtzite structure. The films exhibit a strong corrugation, which can be smoothed by hydrogen (H) adsorption. An H over-layer with 50% coverage is formed at chemical potentials that range from low to ultra-high vacuum H{sub 2} pressures. For the Agmore » substrate, both α-BN and wurtzite ZnO films are accessible in this pressure range, while for Cu, Pd, Pt, Rh, and Ni wurtzite films are favored. The surface structure and the density of states of these H passivated ZnO thin films agree well with those of the bulk ZnO(0001{sup ¯})-2×1-H surface.« less