Improvement of rheological, thermal and functional properties of tapioca starch using gum arabic

USDA-ARS?s Scientific Manuscript database

The addition of gum arabic (GA) to native tapioca starch (TS) to modify the functionality of TS was investigated. GA is well known for its stabilizing, emulsifying, and thickening properties. The effects of adding GA (0.1-1.0%) on pasting, rheological and solubility properties of TS (5%) were analy...

Improvement of flow and bulk density of pharmaceutical powders using surface modification.

PubMed

Jallo, Laila J; Ghoroi, Chinmay; Gurumurthy, Lakxmi; Patel, Utsav; Davé, Rajesh N

2012-02-28

Improvement in flow and bulk density, the two most important properties that determine the ease with which pharmaceutical powders can be handled, stored and processed, is done through surface modification. A limited design of experiment was conducted to establish a standardized dry coating procedure that limits the extent of powder attrition, while providing the most consistent improvement in angle of repose (AOR). The magnetically assisted impaction coating (MAIC) was considered as a model dry-coater for pharmaceutical powders; ibuprofen, acetaminophen, and ascorbic acid. Dry coated drug powders were characterized by AOR, particle size as a function of dispersion pressure, particle size distribution, conditioned bulk density (CBD), Carr index (CI), flow function coefficient (FFC), cohesion coefficient using different instruments, including a shear cell in the Freeman FT4 powder rheometer, and Hansen flowability index. Substantial improvement was observed in all the measured properties after dry coating relative to the uncoated powders, such that each powder moved from a poorer to a better flow classification and showed improved dispersion. The material intrinsic property such as cohesion, plotted as a function of particle size, gave a trend similar to those of bulk flow properties, AOR and CI. Property improvement is also illustrated in a phase map of inverse cohesion (or FFC) as a function of bulk density, which also indicated a significant positive shift due to dry coating. It is hoped that such phase maps are useful in manufacturing decisions regarding the need for dry coating, which will allow moving from wet granulation to roller compaction or to direct compression based formulations. Copyright © 2011 Elsevier B.V. All rights reserved.

Effect of pH adjustment, homogenization and diafiltration on physicochemical, reconstitution, functional and rheological properties of medium protein milk protein concentrates (MPC70).

PubMed

Meena, Ganga Sahay; Singh, Ashish Kumar; Gupta, Vijay Kumar; Borad, Sanket; Arora, Sumit; Tomar, Sudhir Kumar

2018-04-01

Poor solubility is the major limiting factor in commercial applications of milk protein concentrates (MPC) powders. Retentate treatments such as pH adjustment using disodium phosphate (Na 2 HPO 4 ), also responsible for calcium chelation with homogenization and; its diafiltration with 150 mM NaCl solution were hypothesized to improve the functional properties of treated MPC70 powders. These treatments significantly improved the solubility, heat stability, water binding, dispersibility, bulk density, flowability, buffer index, foaming and emulsifying capacity of treated powders over control. Rheological behaviour of reconstituted MPC solutions was best explained by Herschel Bulkley model. Compared to rough, large globular structures with dents in control; majorly intact, separate, smaller particles of smooth surface, without any aggregation were observed in SEM micrograph of treated powders. Applied treatments are easy, cost-effective and capable to improve functional properties of treated powders that could replace control MPC70 powder in various food applications where protein functionality is of prime importance.

Anisotropic Reinforcement of Acute Anteroapical Infarcts Improves Pump Function

PubMed Central

Fomovsky, Gregory M.; Clark, Samantha A.; Parker, Katherine M.; Ailawadi, Gorav; Holmes, Jeffrey W.

2012-01-01

Background We hypothesize that a therapy that improves LV pump function early after infarction should decrease the need for compensation through sympathetic activation and dilation, thereby reducing the risk of developing heart failure. The mechanical properties of healing myocardial infarcts are an important determinant of left ventricular (LV) function, yet improving function by altering infarct properties has proven unexpectedly difficult. Using a computational model, we recently predicted that stiffening a large anterior infarct anisotropically (in only one direction) would improve LV function, while isotropic stiffening, the focus of previous studies and therapies, would not. The goal of this study was to test the novel strategy of anisotropic infarct reinforcement. Methods and Results We tested the effects of anisotropic infarct reinforcement in 10 open-chest dogs with large anteroapical infarcts that depressed LV pump function. We measured regional mechanics, LV volumes, and cardiac output at a range of preloads at Baseline, 45 minutes after coronary ligation (Ischemia), and 30 minutes later, following surgical reinforcement in the longitudinal direction (Anisotropic). Ischemia shifted the end-systolic pressure-volume relationship (ESPVR) and cardiac output curves rightward, decreasing cardiac output at matched end-diastolic pressure (EDP) by 44%. Anisotropic reinforcement significantly improved systolic function without impairing diastolic function, recovering half the deficit in overall LV function. Conclusions We conclude that anisotropic reinforcement is a promising new approach to improving LV function following a large myocardial infarction. PMID:22665716

Effect of cellulose nanowhiskers functionalization with polyaniline for epoxy coatings

NASA Astrophysics Data System (ADS)

Borsoi, C.; Zattera, A. J.; Ferreira, C. A.

2016-02-01

Functionalization of cellulose nanowhiskers (CNW) was performed by means of chemical synthesis involving polymerization of polyaniline in emeraldine salt form (PAni SE) in the presence of CNW. Thermal, chemical and morphological samples properties were evaluated. Polymeric coatings were obtained with epoxy, aminopropyltriethoxysilane (APS), CNW and CNW/PAni SE applied on carbon steel with a conversion coating of zirconia (Zr) and the mechanical properties were evaluated. With regard to CNW functionalization the sample was encapsulated with PAni SE as observed by FTIR and morphologic analysis, with decreased thermal stability. Regarding the mechanical properties of CNW and CNW/PAni SE polymeric coatings, improvements in flexibility and hardness properties using the APS and Zr layer were observed. The adherence of polymer coatings improved by the incorporation of CNW and CNW/PAni SE. Through morphological analysis it was observed that CNW shows good dispersion in the polymer matrix without agglomerates formation.

Rapid End-Group Modification of Polysaccharides for Biomaterial Applications in Regenerative Medicine.

PubMed

Bondalapati, Somasekhar; Ruvinov, Emil; Kryukov, Olga; Cohen, Smadar; Brik, Ashraf

2014-09-15

Polysaccharides have emerged as important functional materials because of their unique properties such as biocompatibility, biodegradability, and availability of reactive sites for chemical modifications to optimize their properties. The overwhelming majority of the methods to modify polysaccharides employ random chemical modifications, which often improve certain properties while compromising others. On the other hand, the employed methods for selective modifications often require excess of coupling partners, long reaction times and are limited in their scope and wide applicability. To circumvent these drawbacks, aniline-catalyzed oxime formation is developed for selective modification of a variety of polysaccharides through their reducing end. Notably, it is found that for efficient oxime formation, different conditions are required depending on the composition of the specific polysaccharide. It is also shown how our strategy can be applied to improve the physical and functional properties of alginate hydrogels, which are widely used in tissue engineering and regenerative medicine applications. While the randomly and selectively modified alginate exhibits similar viscoelastic properties, the latter forms significantly more stable hydrogel and superior cell adhesive and functional properties. Our results show that the developed conjugation reaction is robust and should open new opportunities for preparing polysaccharide-based functional materials with unique properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Graphene-Reinforced Metal and Polymer Matrix Composites

NASA Astrophysics Data System (ADS)

Kasar, Ashish K.; Xiong, Guoping; Menezes, Pradeep L.

2018-03-01

Composites have tremendous applicability due to their excellent capabilities. The performance of composites mainly depends on the reinforcing material applied. Graphene is successful as an efficient reinforcing material due to its versatile as well as superior properties. Even at very low content, graphene can dramatically improve the properties of polymer and metal matrix composites. This article reviews the fabrication followed by mechanical and tribological properties of metal and polymer matrix composites filled with different kinds of graphene, including single-layer, multilayer, and functionalized graphene. Results reported to date in literature indicate that functionalized graphene or graphene oxide-polymer composites are promising materials offering significantly improved strength and frictional properties. A similar trend of improved properties has been observed in case of graphene-metal matrix composites. However, achieving higher graphene loading with uniform dispersion in metal matrix composites remains a challenge. Although graphene-reinforced composites face some challenges, such as understanding the graphene-matrix interaction or fabrication techniques, graphene-reinforced polymer and metal matrix composites have great potential for application in various fields due to their outstanding properties.

Graphene-Reinforced Metal and Polymer Matrix Composites

NASA Astrophysics Data System (ADS)

Kasar, Ashish K.; Xiong, Guoping; Menezes, Pradeep L.

2018-06-01

Composites have tremendous applicability due to their excellent capabilities. The performance of composites mainly depends on the reinforcing material applied. Graphene is successful as an efficient reinforcing material due to its versatile as well as superior properties. Even at very low content, graphene can dramatically improve the properties of polymer and metal matrix composites. This article reviews the fabrication followed by mechanical and tribological properties of metal and polymer matrix composites filled with different kinds of graphene, including single-layer, multilayer, and functionalized graphene. Results reported to date in literature indicate that functionalized graphene or graphene oxide-polymer composites are promising materials offering significantly improved strength and frictional properties. A similar trend of improved properties has been observed in case of graphene-metal matrix composites. However, achieving higher graphene loading with uniform dispersion in metal matrix composites remains a challenge. Although graphene-reinforced composites face some challenges, such as understanding the graphene-matrix interaction or fabrication techniques, graphene-reinforced polymer and metal matrix composites have great potential for application in various fields due to their outstanding properties.

Effects of dietary fiber with Bacillus coagulans lilac-01 on bowel movement and fecal properties of healthy volunteers with a tendency for constipation.

PubMed

Minamida, Kimiko; Nishimura, Mie; Miwa, Kazunori; Nishihira, Jun

2015-01-01

To elucidate the effects of Lilac LAB (Bacillus coagulans lilac-01 and okara [soy pulp] powder) on bowel movements/fecal properties, we conducted a double-blind placebo-controlled randomized trial with healthy Japanese volunteers with a tendency for constipation (n = 297). The subjects ingested 2 g/d placebo (okara powder) or test food (Lilac LAB, 1 × 10(8) CFU) once a day for 2 weeks. In the test group of functionally constipated subjects, the changes in the average scores of self-reported fecal size, sensation of incomplete evacuation, and defecation frequency were significantly improved compared to the placebo group (p < 0.05), and fecal color and odor tended to improve (p = 0.07). In the test food group of all subjects and among the non-functionally constipated subjects, the fecal size tended to improve compared to the placebo group (p = 0.06, p = 0.07, respectively). Lilac LAB was effective in improving bowel movements and fecal properties in functionally constipated persons.

Physical properties of gluten free sugar cookies containing teff and functional oat products

USDA-ARS?s Scientific Manuscript database

Teff-oat composites were developed using gluten free teff flour containing essential 15 amino acids with oat products containing ß-glucan, known for lowering blood cholesterol and improving texture. The teff-oat composites were used in sugar cookies for improving nutritional and physical properties....

Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties.

PubMed

Autschbach, Jochen; Srebro, Monika

2014-08-19

Kohn-Sham theory (KST) is the "workhorse" of numerical quantum chemistry. This is particularly true for first-principles calculations of ground- and excited-state properties for larger systems, including electronic spectra, electronic dynamic and static linear and higher order response properties (including nonlinear optical (NLO) properties), conformational or dynamic averaging of spectra and response properties, or properties that are affected by the coupling of electron and nuclear motion. This Account explores the sometimes dramatic impact of the delocalization error (DE) and possible benefits from the use of long-range corrections (LC) and "tuning" of functionals in KST calculations of molecular ground-state and response properties. Tuning refers to a nonempirical molecule-specific determination of adjustable parameters in functionals to satisfy known exact conditions, for instance, that the energy of the highest occupied molecular orbital (HOMO) should be equal to the negative vertical ionization potential (IP) or that the energy as a function of fractional electron numbers should afford straight-line segments. The presentation is given from the viewpoint of a chemist interested in computations of a variety of molecular optical and spectroscopic properties and of a theoretician developing methods for computing such properties with KST. In recent years, the use of LC functionals, functional tuning, and quantifying the DE explicitly have provided valuable insight regarding the performance of KST for molecular properties. We discuss a number of different molecular properties, with examples from recent studies from our laboratory and related literature. The selected properties probe different aspects of molecular electronic structure. Electric field gradients and hyperfine coupling constants can be exquisitely sensitive to the DE because it affects the ground-state electron density and spin density distributions. For π-conjugated molecules, it is shown how the DE manifests itself either in too strong or too weak delocalization of localized molecular orbitals (LMOs). Optical rotation is an electric-magnetic linear response property that is calculated in a similar fashion as the electric polarizability, but it is more sensitive to approximations and can benefit greatly from tuning and small DE. Hyperpolarizabilities of π-conjugated "push-pull" systems are examples of NLO properties that can be greatly improved by tuning of range-separated exchange (RSE) functionals, in part due to improved charge-transfer excitation energies. On-going work on band gap predictions is also mentioned. The findings may provide clues for future improvements of KST because different molecular properties exhibit varying sensitivity to approximations in the electronic structure model. The utility of analyzing molecular properties and the impact of the DE in terms of LMOs, representing "chemist's orbitals" such as individual lone pairs and bonds, is highlighted.

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

PubMed

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

2013-01-10

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

Noncovalently Functionalized Tungsten Disulfide Nanosheets for Enhanced Mechanical and Thermal Properties of Epoxy Nanocomposites.

PubMed

Sahu, Megha; Narashimhan, Lakshmi; Prakash, Om; Raichur, Ashok M

2017-04-26

In the present study, noncovalently functionalized tungsten disulfide (WS 2 ) nanosheets were used as a toughening agent for epoxy nanocomposites. WS 2 was modified with branched polyethyleneimine (PEI) to increase the degree of interaction of nanosheets with the epoxy matrix and prevent restacking and agglomeration of the sheets in the epoxy matrix. The functionalization of WS 2 sheets was confirmed through Fourier transform infrared spectroscopy and thermogravimetric analysis. The exfoliation of the bulk WS 2 was confirmed through X-ray diffraction and various microscopic techniques. Epoxy nanocomposites containing up to 1 wt % of WS 2 -PEI nanosheets were fabricated. They showed a remarkable improvement in fracture toughness (K IC ). K IC increased from 0.94 to 1.72 MPa m -1/2 for WS 2 -PEI nanosheet loadings as low as 0.25 wt %. Compressive and flexural properties also showed a significant improvement as incorporation of 0.25 wt % of WS 2 -PEI nanosheets resulted in 43 and 65% increase in the compressive and flexural strengths of epoxy nanocomposites, respectively, compared with neat epoxy. Thermal stability and thermomechanical properties of the WS 2 -PEI-modified epoxy also showed a significant improvement. The simultaneous improvement in the mechanical and thermal properties could be attributed to the good dispersion of WS 2 -PEI nanosheets in the matrix, intrinsic high strength and thermal properties of the nanosheets, and improved interaction of the WS 2 nanosheets with the epoxy matrix owing to the presence of PEI molecules on the surface of the WS 2 nanosheets.

Impediments to predicting site response: Seismic property estimation and modeling simplifications

USGS Publications Warehouse

Thompson, E.M.; Baise, L.G.; Kayen, R.E.; Guzina, B.B.

2009-01-01

We compare estimates of the empirical transfer function (ETF) to the plane SH-wave theoretical transfer function (TTF) within a laterally constant medium for invasive and noninvasive estimates of the seismic shear-wave slownesses at 13 Kiban-Kyoshin network stations throughout Japan. The difference between the ETF and either of the TTFs is substantially larger than the difference between the two TTFs computed from different estimates of the seismic properties. We show that the plane SH-wave TTF through a laterally homogeneous medium at vertical incidence inadequately models observed amplifications at most sites for both slowness estimates, obtained via downhole measurements and the spectral analysis of surface waves. Strategies to improve the predictions can be separated into two broad categories: improving the measurement of soil properties and improving the theory that maps the 1D soil profile onto spectral amplification. Using an example site where the 1D plane SH-wave formulation poorly predicts the ETF, we find a more satisfactory fit to the ETF by modeling the full wavefield and incorporating spatially correlated variability of the seismic properties. We conclude that our ability to model the observed site response transfer function is limited largely by the assumptions of the theoretical formulation rather than the uncertainty of the soil property estimates.

Preparation Nano-Structure Polytetrafluoroethylene (PTFE) Functional Film on the Cellulose Insulation Polymer and Its Effect on the Breakdown Voltage and Hydrophobicity Properties

PubMed Central

Liu, Cong; Li, Yanqing; Liao, Ruijin; Liao, Qiang; Tang, Chao

2018-01-01

Cellulose insulation polymer is an important component of oil-paper insulation, which is widely used in power transformer. The weight of the cellulose insulation polymer materials is as high as tens of tons in the larger converter transformer. Excellent performance of oil-paper insulation is very important for ensuring the safe operation of larger converter transformer. An effective way to improve the insulation and the physicochemical property of the oil impregnated insulation pressboard/paper is currently a popular research topic. In this paper, the polytetrafluoroethylene (PTFE) functional film was coated on the cellulose insulation pressboard by radio frequency (RF) magnetron sputtering to improve its breakdown voltage and the hydrophobicity properties. X-ray photoelectron spectroscopy (XPS) results show that the nano-structure PTFE functional film was successfully fabricated on the cellulose insulation pressboard surface. The scanning electron microscopy (SEM) and X-ray diffraction (XRD) present that the nanoscale size PTFE particles were attached to the pressboard surface and it exists in the amorphous form. Atomic force microscopy (AFM) shows that the sputtered pressboard surface is still rough. The rough PTFE functional film and the reduction of the hydrophilic hydroxyl of the surface due to the shielding effect of PTFE improve the breakdown and the hydrophobicity properties of the cellulose insulation pressboard obviously. This paper provides an innovative way to improve the performance of the cellulose insulation polymer. PMID:29883376

Preparation Nano-Structure Polytetrafluoroethylene (PTFE) Functional Film on the Cellulose Insulation Polymer and Its Effect on the Breakdown Voltage and Hydrophobicity Properties.

PubMed

Hao, Jian; Liu, Cong; Li, Yanqing; Liao, Ruijin; Liao, Qiang; Tang, Chao

2018-05-21

Cellulose insulation polymer is an important component of oil-paper insulation, which is widely used in power transformer. The weight of the cellulose insulation polymer materials is as high as tens of tons in the larger converter transformer. Excellent performance of oil-paper insulation is very important for ensuring the safe operation of larger converter transformer. An effective way to improve the insulation and the physicochemical property of the oil impregnated insulation pressboard/paper is currently a popular research topic. In this paper, the polytetrafluoroethylene (PTFE) functional film was coated on the cellulose insulation pressboard by radio frequency (RF) magnetron sputtering to improve its breakdown voltage and the hydrophobicity properties. X-ray photoelectron spectroscopy (XPS) results show that the nano-structure PTFE functional film was successfully fabricated on the cellulose insulation pressboard surface. The scanning electron microscopy (SEM) and X-ray diffraction (XRD) present that the nanoscale size PTFE particles were attached to the pressboard surface and it exists in the amorphous form. Atomic force microscopy (AFM) shows that the sputtered pressboard surface is still rough. The rough PTFE functional film and the reduction of the hydrophilic hydroxyl of the surface due to the shielding effect of PTFE improve the breakdown and the hydrophobicity properties of the cellulose insulation pressboard obviously. This paper provides an innovative way to improve the performance of the cellulose insulation polymer.

Synthesis, hybridization characteristics, and fluorescence properties of oligonucleotides modified with nucleobase-functionalized locked nucleic acid adenosine and cytidine monomers.

PubMed

Kaura, Mamta; Kumar, Pawan; Hrdlicka, Patrick J

2014-07-03

Conformationally restricted nucleotides such as locked nucleic acid (LNA) are very popular as affinity-, specificity-, and stability-enhancing modifications in oligonucleotide chemistry to produce probes for nucleic acid targeting applications in molecular biology, biotechnology, and medicinal chemistry. Considerable efforts have been devoted in recent years to optimize the biophysical properties of LNA through additional modification of the sugar skeleton. We recently introduced C5-functionalization of LNA uridines as an alternative and synthetically more straightforward approach to improve the biophysical properties of LNA. In the present work, we set out to test the generality of this concept by studying the characteristics of oligonucleotides modified with four different C5-functionalized LNA cytidine and C8-functionalized LNA adenosine monomers. The results strongly suggest that C5-functionalization of LNA pyrimidines is indeed a viable approach for improving the binding affinity, target specificity, and/or enzymatic stability of LNA-modified ONs, whereas C8-functionalization of LNA adenosines is detrimental to binding affinity and specificity. These insights will impact the future design of conformationally restricted nucleotides for nucleic acid targeting applications.

High-Intensity Ultrasound to Improve Physical and Functional Properties of Lipids.

PubMed

Wagh, Ashwini; Birkin, Peter; Martini, Silvana

2016-01-01

High-intensity ultrasound (HIU) has been used in recent years to change the crystallization behavior of edible lipids. This technique can be used in combination with other processing technologies to tailor lipids' functional properties and broaden their application for various food products. In general, sonication induces crystallization, increases crystallization rate, and generates a harder and more elastic crystalline network characterized by smaller crystals with a sharper melting profile. An important application of HIU is to improve the hardness and elasticity of shortenings that have a low content of saturated fatty acids and are free of trans-fats. This review summarizes recent research that used HIU to change the physical and functional properties of edible lipids and focuses on the importance of controlling processing variables such as sonication power level and duration and crystallization temperature.

Alumina Matrix Composites with Non-Oxide Nanoparticle Addition and Enhanced Functionalities

PubMed Central

Galusek, Dušan; Galusková, Dagmar

2015-01-01

The addition of SiC or TiC nanoparticles to polycrystalline alumina matrix has long been known as an efficient way of improving the mechanical properties of alumina-based ceramics, especially strength, creep, and wear resistance. Recently, new types of nano-additives, such as carbon nanotubes (CNT), carbon nanofibers (CNF), and graphene sheets have been studied in order not only to improve the mechanical properties, but also to prepare materials with added functionalities, such as thermal and electrical conductivity. This paper provides a concise review of several types of alumina-based nanocomposites, evaluating the efficiency of various preparation methods and additives in terms of their influence on the properties of composites. PMID:28347002

Percutaneous closure of patent ductus arteriosus in children: Immediate and short-term changes in left ventricular systolic and diastolic function.

PubMed

Gupta, Saurabh Kumar; Krishnamoorthy, Km; Tharakan, Jaganmohan A; Sivasankaran, S; Sanjay, G; Bijulal, S; Anees, T

2011-07-01

To evaluate the effect of percutaneous closure of patent ductus arteriosus (PDA) on left ventricular (LV) systolic and diastolic function in children. Limited studies are available on alteration in LV hemodynamics, especially diastolic function, after PDA closure. Thirty-two consecutive children with isolated PDA treated by trans-catheter closure were studied. The LV systolic and diastolic function were assessed by two-dimensional (2D) echocardiography and tissue Doppler imaging 1 day before the PDA closure, on day 1, and on follow-up. At baseline, none of the patients had LV systolic dysfunction. On day 1 post-PDA closure, 8 (25%) children developed LV systolic dysfunction. The baseline LV ejection fraction (LVEF), LV end-systolic dimension (LVESD), and PDA diastolic gradient predicted the post-closure LVEF. Patients who developed post-closure LV systolic dysfunction had poorer LV diastolic function than those who did not. LV diastolic properties improved after PDA closure; however, the improvement in LV diastolic properties lagged behind the improvement in the LV systolic function. All children were asymptomatic and had normal LVEF on follow up of >3 months. Percutaneous closure of PDA is associated with the reversible LV systolic dysfunction. Improvement in the LV diastolic function lags behind that in the LV systolic function.

Functional and technological properties of camel milk proteins: a review.

PubMed

Hailu, Yonas; Hansen, Egon Bech; Seifu, Eyassu; Eshetu, Mitiku; Ipsen, Richard; Kappeler, Stefan

2016-11-01

This review summarises current knowledge on camel milk proteins, with focus on significant peculiarities in protein composition and molecular properties. Camel milk is traditionally consumed as a fresh or naturally fermented product. Within the last couple of years, an increasing quantity is being processed in dairy plants, and a number of consumer products have been marketed. A better understanding of the technological and functional properties, as required for product improvement, has been gained in the past years. Absence of the whey protein β-LG and a low proportion of к-casein cause differences in relation to dairy processing. In addition to the technological properties, there are also implications for human nutrition and camel milk proteins are of interest for applications in infant foods, for food preservation and in functional foods. Proposed health benefits include inhibition of the angiotensin converting enzyme, antimicrobial and antioxidant properties as well as an antidiabetogenic effect. Detailed investigations on foaming, gelation and solubility as well as technological consequences of processing should be investigated further for the improvement of camel milk utilisation in the near future.

Changes in physical, chemical and functional properties of whey protein isolate (WPI) and sugar beet pectin (SBP) conjugates formed by controlled dry-heating

USDA-ARS?s Scientific Manuscript database

A Maillard type reaction in the dry state was utilized to create conjugates between whey protein isolate (WPI) and sugar beet pectin (SBP) to achieve improved functional properties including solubility, colloidal stability and oil-in-water emulsion stability. To optimize the reaction conditions, mi...

Tailoring Functional Chitosan-based Composites for Food Applications.

PubMed

Nunes, Cláudia; Coimbra, Manuel A; Ferreira, Paula

2018-03-08

Chitosan-based functional materials are emerging for food applications. The covalent bonding of molecular entities demonstrates to enhance resistance to the typical acidity of food assigning mechanical and moisture/gas barrier properties. Moreover, the grafting to chitosan of some functional molecules, like phenolic compounds or essential oils, gives antioxidant, antimicrobial, among others properties to chitosan. The addition of nanofillers to chitosan and other biopolymers improves the already mentioned required properties for food applications and can attribute electrical conductivity and magnetic properties for active and intelligent packaging. Electrical conductivity is a required property for the processing of food at low temperature using electric fields or for sensors application. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Truhlar, Donald G.

1990-01-01

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

Functionalized low defect graphene nanoribbons and polyurethane composite film for improved gas barrier and mechanical performances.

PubMed

Xiang, Changsheng; Cox, Paris J; Kukovecz, Akos; Genorio, Bostjan; Hashim, Daniel P; Yan, Zheng; Peng, Zhiwei; Hwang, Chih-Chau; Ruan, Gedeng; Samuel, Errol L G; Sudeep, Parambath M; Konya, Zoltan; Vajtai, Robert; Ajayan, Pulickel M; Tour, James M

2013-11-26

A thermoplastic polyurethane (TPU) composite film containing hexadecyl-functionalized low-defect graphene nanoribbons (HD-GNRs) was produced by solution casting. The HD-GNRs were well distributed within the polyurethane matrix, leading to phase separation of the TPU. Nitrogen gas effective diffusivity of TPU was decreased by 3 orders of magnitude with only 0.5 wt % HD-GNRs. The incorporation of HD-GNRs also improved the mechanical properties of the composite films, as predicted by the phase separation and indicated by tensile tests and dynamic mechanical analyses. The improved properties of the composite film could lead to potential applications in food packaging and lightweight mobile gas storage containers.

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

PubMed Central

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

2013-01-01

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

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

PubMed

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

2015-05-01

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

Fabrication of polyimide-based nanocomposites containing functionalized graphene oxide nanosheets by in-situ polymerization and their properties

NASA Astrophysics Data System (ADS)

Qian, Yong; Lan, Yanfei; Xu, Jianping; Ye, Fucheng; Dai, Shizhen

2014-09-01

In this study, a facile and effective strategy is proposed to fabricate polyimide (PI)-based nanocomposites containing functionalized graphene oxide (FGO) nanosheets by in-situ polymerization and thermal imidization. Highly dispersed CIGO which was firstly obtained by graphene oxide (GO) functionalized with cyclohexyl isocyanate (CI) exhibited excellent dispersibility and compatibility in polyamic acid (PAA, precursor of PI) matrix via in-situ polymerization. Then the CIGO sheets were partially thermally reduced efficiently to FGO during the thermal imidization process of PAA. The incorporation of FGO sheets significantly affected the macroscopic properties of the PI-based composites. A 56.5% increase in the tensile strength and a 43.8% improvement in the Young's modulus were achieved for 2.0 wt% FGO loading. Furthermore, the thermal stability and glass transition temperature (Tg) were improved by adding FGO. In addition, the hydrophobic behavior of the PI-FGO composite clearly improved because of the excellent hydrophobic properties of FGO. The success of this approach provides a good rational for developing high-performance polymer-based composite materials.

Running functional sport vest and short for e-textile applications

NASA Astrophysics Data System (ADS)

Baskan, H.; Acikgoz, H.; Atakan, R.; Eryuruk, H.; Akalın, N.; Kose, H.; Li, Y.; Kursun Bahadir, S.; Kalaoglu, F.

2017-10-01

Sports garments with functional properties have become crucial as well as comfort properties since they improve the wearer performance. For this reason, sport vest and short having high elastic recovery with fall detection sensor, were designed and produced by using flat-bed knitting machine. Comfort properties of short and vest were tested with several test instruments and; tensile strength of elastomeric yarn, air permeability, moisture management, drape and objective handle (FAST tests) of garments were achieved. It was proved that short and vest samples have good comfort properties as a functional sport garment. It was also tested that fall-detection sensor can work efficiently by using a mobile phone application.

Phosphonic acid functionalization of nanostructured Ni-W coatings on steel

NASA Astrophysics Data System (ADS)

Orrillo, P. A.; Ribotta, S. B.; Gassa, L. M.; Benítez, G.; Salvarezza, R. C.; Vela, M. E.

2018-03-01

The functionalization of nanocrystalline Ni-W coatings, formed by galvanostatic pulsed electrodeposition on steel, by thermal treatment of octadecylphosphonic acid self-assembled on the oxidized alloy surface is studied by Raman spectroscopy, contact angle measurements, X-ray photoelectron spectroscopy, AFM and electrochemical techniques. Results show that this procedure preserves the surface topography and the optimum mechanical properties of the alloy. More importantly, it turns the alloy surface highly hydrophobic and markedly improves its corrosion resistance, in particular to pitting corrosion in aggressive solutions containing chloride anions. The ability of the phosphonate layer to improve surface properties arises from the barrier properties introduced by the hydrocarbon chains and the strong bonds between the phosphonate head and the underlying surface oxides.

Nonparametric Transfer Function Models

PubMed Central

Liu, Jun M.; Chen, Rong; Yao, Qiwei

2009-01-01

In this paper a class of nonparametric transfer function models is proposed to model nonlinear relationships between ‘input’ and ‘output’ time series. The transfer function is smooth with unknown functional forms, and the noise is assumed to be a stationary autoregressive-moving average (ARMA) process. The nonparametric transfer function is estimated jointly with the ARMA parameters. By modeling the correlation in the noise, the transfer function can be estimated more efficiently. The parsimonious ARMA structure improves the estimation efficiency in finite samples. The asymptotic properties of the estimators are investigated. The finite-sample properties are illustrated through simulations and one empirical example. PMID:20628584

Military Base Closures: Opportunities Exist to Improve Environmental Cleanup Cost Reporting and to Expedite Transfer of Unneeded Property

DTIC Science & Technology

2007-01-01

substances released after 1986 and munitions released after 2002 are not eligible for DERP funds. These cleanups are generally referred to as non -DERP...relocating functions from one installation to...requirements during the process of property disposal and during the process of relocating functions from one installation to another. The National

Mechanical properties of hydrogenated bilayer graphene

NASA Astrophysics Data System (ADS)

Andrew, R. C.; Mapasha, R. E.; Chetty, N.

2013-06-01

Using first principle methods, we study the mechanical properties of monolayer and bilayer graphene with 50% and 100% coverage of hydrogen. We employ the vdW-DF, vdW-DF-C09x, and vdW-DF2-C09x van der Waals functionals for the exchange correlation interactions that give significantly improved interlayer spacings and energies. We also use the PBE form for the generalized gradient corrected exchange correlation functional for comparison. We present a consistent theoretical framework for the in-plane layer modulus and the out-of-plane interlayer modulus and we calculate, for the first time, these properties for these systems. This gives a measure of the change of the strength properties when monolayer and bilayer graphene are hydrogenated. Moreover, comparing the relative performance of these functionals in describing hydrogenated bilayered graphenes, we also benchmark these functionals in how they calculate the properties of graphite.

Functional census of mutation sequence spaces: The example of p53 cancer rescue mutants

PubMed Central

Danziger, Samuel A.; Swamidass, S. Joshua; Zeng, Jue; Dearth, Lawrence R.; Lu, Qiang; Chen, Jonathan H.; Cheng, Jainlin; Hoang, Vinh P.; Saigo, Hiroto; Luo, Ray; Baldi, Pierre; Brachmann, Rainer K.; Lathrop, Richard H.

2009-01-01

Many biomedical problems relate to mutant functional properties across a sequence space of interest, e.g., flu, cancer, and HIV. Detailed knowledge of mutant properties and function improves medical treatment and prevention. A functional census of p53 cancer rescue mutants would aid the search for cancer treatments from p53 rescue. We devised a general methodology for conducting a functional census of a mutation sequence space, and conducted a double-blind predictive test on the functional rescue property of 71 novel putative p53 cancer rescue mutants iteratively predicted in sets of 3. Double-blind predictive accuracy (15-point moving window) rose from 47% to 86% over the trial (r = 0.74). Code and data are available upon request1. PMID:17048398

Coffee polyphenols extracted from green coffee beans improve skin properties and microcirculatory function.

PubMed

Fukagawa, Satoko; Haramizu, Satoshi; Sasaoka, Shun; Yasuda, Yuka; Tsujimura, Hisashi; Murase, Takatoshi

2017-09-01

Coffee polyphenols (CPPs), including chlorogenic acid, exert various physiological activities. The purpose of this study was to investigate the effects of CPPs on skin properties and microcirculatory function in humans. In this double-blind, placebo-controlled study, 49 female subjects with mildly xerotic skin received either a test beverage containing CPPs (270 mg/100 mL/day) or a placebo beverage for 8 weeks. The ingestion of CPPs significantly lowered the clinical scores for skin dryness, decreased transepidermal water loss, skin surface pH, and increased stratum corneum hydration and the responsiveness of skin blood flow during local warming. Moreover, the amounts of free fatty acids and lactic acid in the stratum corneum significantly increased after the ingestion of CPPs. These results suggest that an 8-week intake of CPPs improve skin permeability barrier function and hydration, with a concomitant improvement in microcirculatory function, leading to efficacy in the alleviation of mildly xerotic skin.

Functionalization of carbon nanotubes: Characterization, modeling and composite applications

NASA Astrophysics Data System (ADS)

Wang, Shiren

Carbon nanotubes have demonstrated exceptional mechanical, thermal and electrical properties, and are regarded as one of the most promising reinforcement materials for the next generation of high performance structural and multifunctional composites. However, to date, most application attempts have been hindered by several technical roadblocks, such as poor dispersion and weak interfacial bonding. In this dissertation, several innovative functionalization methods were proposed, studied to overcome these technical issues in order to realize the full potential of nanotubes as reinforcement. These functionalization methods included precision sectioning of nanotubes using an ultra-microtome, electron-beam irradiation, amino and epoxide group grafting. The characterization results of atomic force microscope, transmission electronic microscope and Raman suggested that aligned carbon nanotubes can be precisely sectioned with controlled length and minimum sidewall damage. This study also designed and demonstrated new covalent functionalization approaches through unique epoxy-grafting and one-step amino-grafting, which have potential of scale-up for composite applications. In addition, the dissertation also successfully tailored the structure and properties of the thin nanotube film through electron beam irradiation. Significant improvement of both mechanical and electrical conducting properties of the irradiated nanotube films or buckypapers was achieved. All these methods demonstrated effectiveness in improving dispersion and interfacial bonding in the epoxy resin, resulting in considerable improvements in composite mechanical properties. Modeling of functionalization methods also provided further understanding and offered the reasonable explanations of SWNTs length distribution as well as carbon nanostructure transformation upon electron-beam irradiation. Both experimental and modeling results provide important foundations for the further comprehensively investigation of nanotube functionalization, and hence facilitate realization of the full potential of nanotube-reinforced nanocomposites.

Rasch analysis of the Italian Lower Extremity Functional Scale: insights on dimensionality and suggestions for an improved 15-item version.

PubMed

Bravini, Elisabetta; Giordano, Andrea; Sartorio, Francesco; Ferriero, Giorgio; Vercelli, Stefano

2017-04-01

To investigate dimensionality and the measurement properties of the Italian Lower Extremity Functional Scale using both classical test theory and Rasch analysis methods, and to provide insights for an improved version of the questionnaire. Rasch analysis of individual patient data. Rehabilitation centre. A total of 135 patients with musculoskeletal diseases of the lower limb. Patients were assessed with the Lower Extremity Functional Scale before and after the rehabilitation. Rasch analysis showed some problems related to rating scale category functioning, items fit, and items redundancy. After an iterative process, which resulted in the reduction of rating scale categories from 5 to 4, and in the deletion of 5 items, the psychometric properties of the Italian Lower Extremity Functional Scale improved. The retained 15 items with a 4-level response format fitted the Rasch model (internal construct validity), and demonstrated unidimensionality and good reliability indices (person-separation reliability 0.92; Cronbach's alpha 0.94). Then, the analysis showed differential item functioning for six of the retained items. The sensitivity to change of the Italian 15-item Lower Extremity Functional Scale was nearly equal to the one of the original version (effect size: 0.93 and 0.98; standardized response mean: 1.20 and 1.28, respectively for the 15-item and 20-item versions). The Italian Lower Extremity Functional Scale had unsatisfactory measurement properties. However, removing five items and simplifying the scoring from 5 to 4 levels resulted in a more valid measure with good reliability and sensitivity to change.

The Antifungal Activity of Functionalized Chitin Nanocrystals in Poly (Lactid Acid) Films

PubMed Central

Salaberria, Asier M.; H. Diaz, Rene; Andrés, María A.; Fernandes, Susana C.M.; Labidi, Jalel

2017-01-01

As, in the market, poly (lactic acid) (PLA) is the most used polymer as an alternative to conventional plastics, and as functionalized chitin nanocrystals (CHNC) can provide structural and bioactive properties, their combination sounds promising in the preparation of functional nanocomposite films for sustainable packaging. Chitin nanocrystals were successfully modified via acylation using anhydride acetic and dodecanoyl chloride acid to improve their compatibility with the matrix, PLA. The nanocomposite films were prepared by extrusion/compression approach using different concentrations of both sets of functionalized CHNC. This investigation brings forward that both sets of modified CHNC act as functional agents, i.e., they slightly improved the hydrophobic character of the PLA nanocomposite films, and, very importantly, they also enhanced their antifungal activity. Nonetheless, the nanocomposite films prepared with the CHNC modified with dodecanoyl chloride acid presented the best properties. PMID:28772902

Hyaluronan-Inorganic Nanohybrid Materials for Biomedical Applications.

PubMed

Cai, Zhixiang; Zhang, Hongbin; Wei, Yue; Cong, Fengsong

2017-06-12

Nanomaterials, including gold, silver, and magnetic nanoparticles, carbon, and mesoporous materials, possess unique physiochemical and biological properties, thus offering promising applications in biomedicine, such as in drug delivery, biosensing, molecular imaging, and therapy. Recent advances in nanotechnology have improved the features and properties of nanomaterials. However, these nanomaterials are potentially cytotoxic and demonstrate a lack of cell-specific function. Thus, they have been functionalized with various polymers, especially polysaccharides, to reduce toxicity and improve biocompatibility and stability under physiological conditions. In particular, nanomaterials have been widely functionalized with hyaluronan (HA) to enhance their distribution in specific cells and tissues. This review highlights the most recent advances on HA-functionalized nanomaterials for biotechnological and biomedical applications, as nanocarriers in drug delivery, contrast agents in molecular imaging, and diagnostic agents in cancer therapy. A critical evaluation of barriers affecting the use of HA-functionalized nanomaterials is also discussed, and insights into the outlook of the field are explored.

Action of microbial transglutaminase (MTGase) in the modification of food proteins: a review.

PubMed

Gaspar, Ana Luisa Camolezi; de Góes-Favoni, Silvana Pedroso

2015-03-15

Microbial transglutaminase (MTGase) is an enzyme of the class of transferases widely known to modify protein functional properties in food systems. The main mechanisms of action involved are polymerisations, which result in changes in the molecule's hydrophobicity. Among the functional properties, MTGase affects solubility and hence gelation, emulsification, foaming, viscosity and water-holding capacity, which all depend on protein solubility. Although the enzyme's benefits for protein functionality in a variety of food systems are widely reported in the literature, few studies have focussed on its mechanisms. The purpose of this review is therefore to investigate the mechanisms of action of MTGase and consider its influence on the functional properties with different protein substrates. Understanding these mechanisms is the first step in the development and application, in food production, of new and better functional properties with improved and/or innovative characteristics that can satisfy consumer expectations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Properties of lightweight cement-based composites containing waste polypropylene

NASA Astrophysics Data System (ADS)

Záleská, Martina; Pavlíková, Milena; Pavlík, Zbyšek

2016-07-01

Improvement of buildings thermal stability represents an increasingly important trend of the construction industry. This work aims to study the possible use of two types of waste polypropylene (PP) for the development of lightweight cement-based composites with enhanced thermal insulation function. Crushed PP waste originating from the PP tubes production is used for the partial replacement of silica sand by 10, 20, 30, 40 and 50 mass%, whereas a reference mixture without plastic waste is studied as well. First, basic physical and thermal properties of granular PP random copolymer (PPR) and glass fiber reinforced PP (PPGF) aggregate are studied. For the developed composite mixtures, basic physical, mechanical, heat transport and storage properties are accessed. The obtained results show that the composites with incorporated PP aggregate exhibit an improved thermal insulation properties and acceptable mechanical resistivity. This new composite materials with enhanced thermal insulation function are found to be promising materials for buildings subsoil or floor structures.

Study on government's optimal incentive intensity of intellectual property rights

NASA Astrophysics Data System (ADS)

Yang, Chengbin; Sun, Shengxiang; Wei, Hua

2018-05-01

The integration of military and civilian technology in the development stage of weapon equipment is an inherent requirement for the development of the deep integration of the military and the civilian. In order to avoid repeated development of existing technology and improve the efficiency of weaponry development, the government should take effective measures to encourage development institutions to actively adopt existing intellectual property technology in the process of equipment development. According to the theory of utility function and the characteristics of practical problems, the utility function of government and weapon equipment development units is constructed, and the optimization model of incentive strength for national defense intellectual property is established. According to the numerical simulation, the conclusion is, to improve the development efficiency, and at the same time, to encourage innovation, thre government need to make a trade-off in incentive policy making, to achieve a high level in intellectual property rights' innovation and application.

Improving mechanical properties of carbon nanotube fibers through simultaneous solid-state cycloaddition and crosslinking

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

Lu, Xinyi; Hiremath, Nitilaksha; Hong, Kunlun

Individual carbon nanotubes (CNTs) exhibit exceptional mechanical properties. However, difficulties remain in fully realizing these properties in CNT macro-assemblies, because the weak inter-tube forces result in the CNTs sliding past one another. Here in this study, a simple solid-state reaction is presented that enhances the mechanical properties of carbon nanotube fibers (CNTFs) through simultaneous covalent functionalization and crosslinking. This is the first chemical crosslinking proposed without the involvement of a catalyst or byproducts. The specific tensile strength of CNTFs obtained from the treatment employing a benzocyclobutene-based polymer is improved by 40%. Such improvement can be attributed to a reduced numbermore » of voids, impregnation of the polymer, and the formation of covalent crosslinks. This methodology is confirmed using both multiwalled nanotube (MWNT) powders and CNTFs. Thermogravimetric analysis, differential scanning calorimetry, x-ray photoelectron spectroscopy, and transmission electron microscopy of the treated MWNT powders confirm the covalent functionalization and formation of inter-tube crosslinks. This simple one-step reaction can be applied to industrial-scale production of high-strength CNTFs.« less

Improving mechanical properties of carbon nanotube fibers through simultaneous solid-state cycloaddition and crosslinking

DOE PAGES

Lu, Xinyi; Hiremath, Nitilaksha; Hong, Kunlun; ...

2017-03-13

Individual carbon nanotubes (CNTs) exhibit exceptional mechanical properties. However, difficulties remain in fully realizing these properties in CNT macro-assemblies, because the weak inter-tube forces result in the CNTs sliding past one another. Here in this study, a simple solid-state reaction is presented that enhances the mechanical properties of carbon nanotube fibers (CNTFs) through simultaneous covalent functionalization and crosslinking. This is the first chemical crosslinking proposed without the involvement of a catalyst or byproducts. The specific tensile strength of CNTFs obtained from the treatment employing a benzocyclobutene-based polymer is improved by 40%. Such improvement can be attributed to a reduced numbermore » of voids, impregnation of the polymer, and the formation of covalent crosslinks. This methodology is confirmed using both multiwalled nanotube (MWNT) powders and CNTFs. Thermogravimetric analysis, differential scanning calorimetry, x-ray photoelectron spectroscopy, and transmission electron microscopy of the treated MWNT powders confirm the covalent functionalization and formation of inter-tube crosslinks. This simple one-step reaction can be applied to industrial-scale production of high-strength CNTFs.« less

Enhanced interfacial properties of carbon fiber composites via aryl diazonium reaction “on water”

NASA Astrophysics Data System (ADS)

Wang, Yuwei; Meng, Linghui; Fan, Liquan; Ma, Lichun; Qi, Meiwei; Yu, Jiali; Huang, Yudong

2014-10-01

Polyacrylonitrile-based carbon fibers were functionalized with phenyl amine group via aryl diazonium reaction "on water" to improve their interfacial bonding with resin matrix. Raman spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and scanning electron microscopy were employed to characterize ordered degree, functional groups, chemical states and morphology of carbon fiber surface, respectively. The results showed that phenyl amine groups were grafted on the fiber surface successfully. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 73%, while the tensile strength was down very slightly. Hence aryl diazonium reaction "on water" could be a facile green platform to functionalize carbon fibers for many interesting applications.

Decoupling Polymer Properties to Elucidate Mechanisms Governing Cell Behavior

PubMed Central

Wang, Xintong; Boire, Timothy C.; Bronikowski, Christine; Zachman, Angela L.; Crowder, Spencer W.

2012-01-01

Determining how a biomaterial interacts with cells (“structure-function relationship”) reflects its eventual clinical applicability. Therefore, a fundamental understanding of how individual material properties modulate cell-biomaterial interactions is pivotal to improving the efficacy and safety of clinically translatable biomaterial systems. However, due to the coupled nature of material properties, their individual effects on cellular responses are difficult to understand. Structure-function relationships can be more clearly understood by the effective decoupling of each individual parameter. In this article, we discuss three basic decoupling strategies: (1) surface modification, (2) cross-linking, and (3) combinatorial approaches (i.e., copolymerization and polymer blending). Relevant examples of coupled material properties are briefly reviewed in each section to highlight the need for improved decoupling methods. This follows with examples of more effective decoupling techniques, mainly from the perspective of three primary classes of synthetic materials: polyesters, polyethylene glycol, and polyacrylamide. Recent strides in decoupling methodologies, especially surface-patterning and combinatorial techniques, offer much promise in further understanding the structure-function relationships that largely govern the success of future advancements in biomaterials, tissue engineering, and drug delivery. PMID:22536977

Effect of pulsed ultrasound on the physicochemical characteristics and emulsifying properties of squid (Dosidicus gigas) mantle proteins.

PubMed

Higuera-Barraza, O A; Torres-Arreola, W; Ezquerra-Brauer, J M; Cinco-Moroyoqui, F J; Rodríguez Figueroa, J C; Marquez-Ríos, E

2017-09-01

Food technologists are always looking to improve the functional properties of proteins. In this sense, in last years ultrasound has been used to improve some functional properties. For this reason, and considering that jumbo squid is an important fishery in northwest Mexico, the purpose of this research was to determine the effect of pulsed ultrasound on the physicochemical characteristics and emulsifying properties of squid (Dosidicus gigas) mantle proteins. Pulsed ultrasound (20kHz, 20, and 40% amplitude) was applied for 30, 60, and 90s to a protein extract prepared from giant squid mantle causing an increase (p<0.05) in surface hydrophobicity (S o ) from 108.4±1.4 to 239.1±2.4 after application of pulsed ultrasound at 40% of amplitude for 90s. The electrophoretic profile and the total and reactive sulfhydryl contents were not affected (p⩾0.05) by the ultrasound treatment. The emulsifying ability of the protein solution was improved (p<0.05), whereas the Emulsifier Activity Index (EAI) varied from123.67±5.52m 2 /g for the control and increased up to 217.7±3.8m 2 /g after application of the ultrasound. The Stability Emulsifier Index (EEI) was improved at 40% of amplitude by 60 and 90s. The results suggested that pulsed ultrasound used as pretreatment induced conformational changes in giant squid proteins, which improved the interfacial association between protein-oil phases, thus contributing to the improvement of their emulsifient properties. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of a Periodized Power Training Program on the Functional Performances and Contractile Properties of the Quadriceps in Sprinters

ERIC Educational Resources Information Center

Kamandulis, Sigitas; Skurvydas, Albertas; Brazaitis, Marius; Stanislovaitis, Aleksas; Duchateau, Jacques; Stanislovaitiene, Jurate

2012-01-01

Our purpose was to compare the effect of a periodized preparation consisting of power endurance training and high-intensity power training on the contractile properties of the quadriceps muscle and functional performances in well trained male sprinters (n = 7). After 4 weeks of high-intensity power training, 60-m sprint running time improved by an…

Engineered particles demonstrate improved flow properties at elevated drug loadings for direct compression manufacturing.

PubMed

Trementozzi, Andrea N; Leung, Cheuk-Yui; Osei-Yeboah, Frederick; Irdam, Erwin; Lin, Yiqing; MacPhee, J Michael; Boulas, Pierre; Karki, Shyam B; Zawaneh, Peter N

2017-05-15

Optimizing powder flow and compaction properties are critical for ensuring a robust tablet manufacturing process. The impact of flow and compaction properties of the active pharmaceutical ingredient (API) becomes progressively significant for higher drug load formulations, and for scaling up manufacturing processes. This study demonstrated that flow properties of a powder blend can be improved through API particle engineering, without critically impacting blend tabletability at elevated drug loadings. In studying a jet milled API (D 50 =24μm) and particle engineered wet milled API (D 50 =70μm and 90μm), flow functions of all API lots were similarly poor despite the vast difference in average particle size (ff c <4). This finding strays from the common notion that powder flow properties are directly correlated to particle size distribution. Upon adding excipients, however, clear trends in flow functions based on API particle size were observed. Wet milled API blends had a much improved flow function (ff c >10) compared with the jet milled API blends. Investigation of the compaction properties of both wet and jet milled powder blends also revealed that both jet and wet milled material produced robust tablets at the drug loadings used. The ability to practically demonstrate this uncommon observation that similarly poor flowing APIs can lead to a marked difference upon blending is important for pharmaceutical development. It is especially important in early phase development during API selection, and is advantageous particularly when material-sparing techniques are utilized. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Daily, Michael D.; Olsen, Brett N.; Schlesinger, Paul H.

In mammalian cells cholesterol is essential for membrane function, but in excess can be cytototoxic. The cellular response to acute cholesterol loading involves biophysical-based mechanisms that regulate cholesterol levels, through modulation of the “activity” or accessibility of cholesterol to extra-membrane acceptors. Experiments and united atom (UA) simulations show that at high concentrations of cholesterol, lipid bilayers thin significantly and cholesterol availability to external acceptors increases substantially. Such cholesterol activation is critical to its trafficking within cells. Here we aim to reduce the computational cost to enable simulation of large and complex systems involved in cholesterol regulation, such as those includingmore » oxysterols and cholesterol-sensing proteins. To accomplish this, we have modified the published MARTINI coarse-grained force field to improve its predictions of cholesterol-induced changes in both macroscopic and microscopic properties of membranes. Most notably, MARTINI fails to capture both the (macroscopic) area condensation and membrane thickening seen at less than 30% cholesterol and the thinning seen above 40% cholesterol. The thinning at high concentration is critical to cholesterol activation. Microscopic properties of interest include cholesterol-cholesterol radial distribution functions (RDFs), tilt angle, and accessible surface area. First, we develop an “angle-corrected” model wherein we modify the coarse-grained bond angle potentials based on atomistic simulations. This modification significantly improves prediction of macroscopic properties, most notably the thickening/thinning behavior, and also slightly improves microscopic property prediction relative to MARTINI. Second, we add to the angle correction a “volume correction” by also adjusting phospholipid bond lengths to achieve a more accurate volume per molecule. The angle + volume correction substantially further improves the quantitative agreement of the macroscopic properties (area per molecule and thickness) with united atom simulations. However, this improvement also reduces the accuracy of microscopic predictions like radial distribution functions and cholesterol tilt below that of either MARTINI or the angle-corrected model. Thus, while both of our forcefield corrections improve MARTINI, the combined angle and volume correction should be used for problems involving sterol effects on the overall structure of the membrane, while our angle-corrected model should be used in cases where the properties of individual lipid and sterol models are critically important.« less

Modification of biochar for functionality improvement in soils

NASA Astrophysics Data System (ADS)

Zwart, Kor; Kuikman, Peter; Ross, Anrew; Takaya, Chibi; Singh, Surjit; Kocaturk, Pelin; Visser, Rian

2014-05-01

Application of biochar to soils is generally considered and practiced in order to improve specific soil functions such as CEC, moisture and nutrient retention and providing additional habitat for micro-organisms. Improvement of these soil functions should lead to a higher crop yield. This would be added value to the long term sequestration of carbon in soils and contribution to renewable energy from producing and using biochar. The concept of using biochar for soil amendment is predicated on biochar behaving in a similar manner as soil organic matter (SOM) does. However, if one critically compares the properties of biochar with the properties of SOM, it is evident that biochar is rather different from SOM [Zwart, 2013 ;Zwart & Kuikman, 2013]. We have has produced a range of biochar from different feedstock using pyrolysis, gasification and hydrothermal carbonisation resulting in chars with significantly different properties. The project also investigates and tested several possibilities for improving the functionality of biochar in soils by either(i) selection of feedstock, (ii), selection of processing conditions and (iii) chemical and physical modification of biochar during and after the production process. Post modification includes the chemical treatment of biochars with either H2O2, KOH, H2SO4 and transitional metals such as Fe and investigates their effect on surface functionality, porosity, surface area, CEC and phosphate sorption. The influence of the addition of chemical modifiers and oxidants during pyrolysis and gasification has also been investigated and their effect on surface functionality determined using similar techniques. The influence of the original biomass structure on the morphology of the resultant biochars has been investigated using scanning electron microscopy.

Plant Functional Traits: Soil and Ecosystem Services.

PubMed

Faucon, Michel-Pierre; Houben, David; Lambers, Hans

2017-05-01

Decline of ecosystem services has triggered numerous studies aiming at developing more sustainable agricultural management practices. Some agricultural practices may improve soil properties by expanding plant biodiversity. However, sustainable management of agroecosystems should be performed from a functional plant trait perspective. Advances in functional ecology, especially plant functional trait effects on ecosystem processes and services, provide pivotal knowledge for ecological intensification of agriculture; this approach acknowledges that a crop field is an agroecosystem whose ecological processes influence soil properties. We highlight the links between plant functional traits and soil properties in relation to four major ecosystem processes involved in vital ecosystem services: food production, crop protection, climate change mitigation, and soil and water conservation, aiming towards ecological intensification of sustainable agricultural and soil management. Copyright © 2017 Elsevier Ltd. All rights reserved.

Genome shuffling of Lactobacillus plantarum C88 improves adhesion.

PubMed

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

2017-01-01

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

Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

PubMed

Tao, Jianmin; Mo, Yuxiang

2016-08-12

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

Effects of Incorporation of Jackfruit Rind Powder on Chemical and Functional Properties of Bread

PubMed Central

Felli, Reza; Yang, Tajul Aris; Abdullah, Wan Nadiah Wan; Zzaman, Wahidu

2018-01-01

Nowadays, there is a rising interest towards consuming health beneficial food products. Bread–as one of the most popular food products–could be improved to ‘healthy bread’ by addition of ingredients high in protein, dietary fiber and low in calorie. Incorporating Jackfruit rind powder (JRP) as a by-product rich in dietary fiber in bread, could not only provide health beneficial bread products, but also lead to develop an environmental friendly technology by solving the problem of waste disposal of residues. In this study, addition of jackfruit rind powder (JRP) as a high dietary fiber and functional ingredient in bread was examined. The results showed that incorporation of JRP in bread improved functional properties of flour such as Oil Holding Capacity (OHC), Water Holding Capacity (WHC) and pasting properties. Addition of 5%, 10% and 15% of JRP in wheat flour caused significantly (p < 0.05) higher insoluble, soluble and total dietary fiber in flour and bread products. Results from proximate composition indicated that all breads substituted with JRP, contained significantly (p < 0.05) higher fiber, moisture and fat. Obtained results confirmed that the JRP has great potential in development of functional foods especially functional bread products. PMID:29644019

Effects of Incorporation of Jackfruit Rind Powder on Chemical and Functional Properties of Bread.

PubMed

Felli, Reza; Yang, Tajul Aris; Abdullah, Wan Nadiah Wan; Zzaman, Wahidu

2018-03-01

Nowadays, there is a rising interest towards consuming health beneficial food products. Bread-as one of the most popular food products-could be improved to 'healthy bread' by addition of ingredients high in protein, dietary fiber and low in calorie. Incorporating Jackfruit rind powder (JRP) as a by-product rich in dietary fiber in bread, could not only provide health beneficial bread products, but also lead to develop an environmental friendly technology by solving the problem of waste disposal of residues. In this study, addition of jackfruit rind powder (JRP) as a high dietary fiber and functional ingredient in bread was examined. The results showed that incorporation of JRP in bread improved functional properties of flour such as Oil Holding Capacity (OHC), Water Holding Capacity (WHC) and pasting properties. Addition of 5%, 10% and 15% of JRP in wheat flour caused significantly (p < 0.05) higher insoluble, soluble and total dietary fiber in flour and bread products. Results from proximate composition indicated that all breads substituted with JRP, contained significantly (p < 0.05) higher fiber, moisture and fat. Obtained results confirmed that the JRP has great potential in development of functional foods especially functional bread products.

A study on mechanical properties of PBT nano-composites reinforced with microwave functionalized MWCNTs

NASA Astrophysics Data System (ADS)

Deshpande, Revati; Naik, Garima; Chopra, Swamini; Deshmukh, Kavita A.; Deshmukh, Abhay D.; Peshwe, D. R.

2018-04-01

Polybutylene Terephthalate (PBT) is a synthetic thermoplastic polymer with fast crystallization rate; and is extensively used in many automobile applications where it is prone to continuous wear. Carbon Nanotubes (CNTs) as reinforcements are most ideal and promising reinforcement in enhancing mechanical properties of polymers. Owing to strong van der Waals’ interaction between the nanotubes; they tend to aggregate. To overcome this behavior, CNTs are generally functionalized in acid solutions to help stabilize the dispersion and allow interaction with polymer matrix. Thus, the present study focuses on the effect of reinforcing microwave-functionalized CNTs on the mechanical and tribological properties of PBT polymer matrix. The homogenous dispersion of CNTs in PBT matrix was successfully achieved by functionalizing the CNTs. DSC and XRD analysis confirms better crystallization and reduced crystallite size due to improved nucleation. Apart; an increase in the hardness and MFI value was also noted, which again hinted towards improved dispersion. However, the reduction in tensile strength and % elongation indicated embrittlement of the PBT matrix after addition of functionalized CNTs. Furthermore, the peeling and scuffing phenomenon observed for virgin PBT, during sliding wear, was suppressed after CNT addition.

Effects of acylation on the functional properties and in vitro trypsin digestibility of red kidney bean (Phaseolus vulgaris L.) protein isolate.

PubMed

Yin, Shou-Wei; Tang, Chuan-He; Wen, Qi-Biao; Yang, Xiao-Quan

2009-01-01

The effects of succinylation and acetylation on some functional properties and the in vitro trypsin digestibility of kidney bean protein isolate (KPI) were investigated. The extent of succinylation or acetylation progressively increased from 0% to 96% to 97%, as the anhydride-to-protein ratio increased from 0 to 1 g/g. Polyacrylamide gel electrophoresis (PAGE) and zeta potential analyses indicated that acylation, especially succinylation, considerably increased the net charge and hydrodynamic radius of the proteins in KPI, especially vicilin. Acylation treatment at various anhydride-to-protein ratios (0.05 to 1 g/g) remarkably improved the protein solubility (PS) and emulsifying activity index (EAI) at neutral pH, but the improvement by succinylation was much better than that by acetylation. Succinylation resulted in a marked decrease in mechanical moduli of heat-induced gels of KPI, while the mechanical moduli were, on the contrary, increased by acetylation. Additionally, in vitro trypsin digestibility was improved by the acylation in an anhydride-type and level-dependent manner. The results suggest that the functional properties of KPI could be modulated by the chemical acylation treatment, using succinic or acetic anhydride at appropriate anhydride-to-protein ratios.

Functional properties of tropical banded cricket (Gryllodes sigillatus) protein hydrolysates.

PubMed

Hall, Felicia G; Jones, Owen G; O'Haire, Marguerite E; Liceaga, Andrea M

2017-06-01

Recently, the benefits of entomophagy have been widely discussed. Due to western cultures' reluctance, entomophagy practices are leaning more towards incorporating insects into food products. In this study, whole crickets (Gryllodes sigillatus) were hydrolyzed with alcalase at 0.5, 1.5, and 3.0% (w/w) for 30, 60, and 90min. Degree of hydrolysis (DH), amino acid composition, solubility, emulsion and foaming properties were evaluated. Hydrolysis produced peptides with 26-52% DH compared to the control containing no enzyme (5% DH). Protein solubility of hydrolysates improved (p<0.05) over a range of pH's, exhibiting >30% soluble protein at pH 3 and 7 and 50-90% at alkaline pH, compared with the control. Emulsion activity index ranged from 7 to 32m 2 /g, while foamability ranged from 100 to 155% for all hydrolysates. These improved functional properties demonstrate the potential to develop cricket protein hydrolysates as a source of functional alternative protein in food ingredient formulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Nitrile functionalized halloysite nanotubes/poly(arylene ether nitrile) nanocomposites: Interface control, characterization, and improved properties

NASA Astrophysics Data System (ADS)

Wan, Xinyi; Zhan, Yingqing; Zeng, Guangyong; He, Yi

2017-01-01

To develop high-performance halloysite nanotube (HNT)-based nanocomposites, the two key issues need to be considered: precise interface control and the dispersal of HNTs. This study presents an efficient way to functionalize halloysite nanotubes with 3-aminophenoxy-phthalonitrile, followed by compounding with poly(arylene ether nitrile) (PEN), to prepare functional nanocomposite films. The surface functionalization of HNTs was characterized and confirmed by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). Compared with neat PEN, the tensile strength and modulus of the resulting PEN nanocomposites with 3 wt% functionalized HNTs were found to increase by 25.7% and 20.7%, respectively. The good dispersion and high capacitance of the dielectric layer resulted in PEN/HNTs nancomposites with enhanced dielectric permittivity and relatively low dielectric loss. Moreover, the addition of functional HNTs greatly improved the thermal stability of PEN, which could be further enhanced through the chemical cross-linking reaction between the functional HNTs and the PEN matrix. This work provides a new path toward obtaining advanced polymer-based nanocomposites with functional properties.

Bioactives from probiotics for dermal health: functions and benefits.

PubMed

Lew, L-C; Liong, M-T

2013-05-01

Probiotics have been extensively reviewed for decades, emphasizing on improving general gut health. Recently, more studies showed that probiotics may exert other health-promoting effects beyond gut well-being, attributed to the rise of the gut-brain axis correlations. Some of these new benefits include skin health such as improving atopic eczema, atopic dermatitis, healing of burn and scars, skin-rejuvenating properties and improving skin innate immunity. Increasing evidence has also showed that bacterial compounds such as cell wall fragments, their metabolites and dead bacteria can elicit certain immune responses on the skin and improve skin barrier functions. This review aimed to underline the mechanisms or the exact compounds underlying the benefits of bacterial extract on the skin based on evidences from in vivo and in vitro studies. This review could be of help in screening of probiotic strains with potential dermal enhancing properties for topical applications. © 2013 The Society for Applied Microbiology.

Transient charge-masking effect of applied voltage on electrospinning of pure chitosan nanofibers from aqueous solutions.

PubMed

Terada, Dohiko; Kobayashi, Hisatoshi; Zhang, Kun; Tiwari, Ashutosh; Yoshikawa, Chiaki; Hanagata, Nobutaka

2012-02-01

The processing of a polyelectrolyte (whose functionality is derived from its ionized functional groups) into a nanofiber may improve its functionality and yield multiple functionalities. However, the electrospinning of nanofibers from polyelectrolytes is imperfect because polyelectrolytes differ considerably from neutral polymers in their rheological properties. In our study, we attempt to solve this problem by applying a voltage of opposite polarity to charges on a polyelectrolyte. The application of this 'countervoltage' can temporarily mask or screen a specific rheological property of the polyelectrolyte, making it behave as a neutral polymer. This approach can significantly contribute to the development of new functional nanofiber materials.

Changes in protein structures to improve the rheology and texture of reduced-fat sausages using high pressure processing.

PubMed

Yang, Huijuan; Khan, Muhammad Ammar; Yu, Xiaobo; Zheng, Haibo; Han, Minyi; Xu, Xinglian; Zhou, Guanghong

2016-11-01

This study investigated the role of high-pressure processing (HPP) for improving the functional properties of meat batters and the textural properties of reduced-fat sausages. Application of 200MPa pressure at 10°C for 2min to pork batters containing various fat contents (0-30%) affected their rheological properties, cooking losses, color, textual properties and their protein imaging. The results revealed that both application of 200MPa and increasing fat content decreased cooking loss, as well as improved the textural and rheological properties. Cooking losses, texture and sensory evaluation of 200MPa treated sausages having 20% fat were similar to those of the 0.1MPa treated sausages having 30% fat. Principal component analysis revealed that certain quality attributes were affected differently by the levels of fat addition and by HPP. These findings indicated the potential of HPP for improving yield and texture of emulsion-type sausages having reduced fat contents. Copyright © 2016 Elsevier Ltd. All rights reserved.

Structure modification and functionality of whey proteins: quantitative structure-activity relationship approach.

PubMed

Nakai, S; Li-Chan, E

1985-10-01

According to the original idea of quantitative structure-activity relationship, electric, hydrophobic, and structural parameters should be taken into consideration for elucidating functionality. Changes in these parameters are reflected in the property of protein solubility upon modification of whey proteins by heating. Although solubility is itself a functional property, it has been utilized to explain other functionalities of proteins. However, better correlations were obtained when hydrophobic parameters of the proteins were used in conjunction with solubility. Various treatments reported in the literature were applied to whey protein concentrate in an attempt to obtain whipping and gelling properties similar to those of egg white. Mapping simplex optimization was used to search for the best results. Improvement in whipping properties by pepsin hydrolysis may have been due to higher protein solubility, and good gelling properties resulting from polyphosphate treatment may have been due to an increase in exposable hydrophobicity. However, the results of angel food cake making were still unsatisfactory.

Functionalized Poly(3,4-ethylenedioxy bithiophene) Films for Tuning Electrochromic and Thermoelectric Properties.

PubMed

Hu, Yongjing; Liu, Xiaofang; Jiang, Fengxing; Zhou, Weiqiang; Liu, Congcong; Duan, Xuemin; Xu, Jingkun

2017-10-05

Conductive thiophene-based polymers have garnered great attention for use in organic electron materials such as electrochromic and thermoelectric materials. However, they suffer from poor electron transport properties and long-term stability, leading to limited development eventually. Here, we proposed a strategy of functionalized thiophene-based polymers with oligo(ethylene glycol) or alkyl side chains and synthesized a series of poly(3,4-ethylenedioxy bithiophene)s (PEDTs) to tune their electrochromic and thermoelectric properties. An alkyl group bearing electronic ability at the thiophene ring effectively achieved a large increase in the electrical conductivity with nearly invariable Seebeck coefficient, resulting in an enhancement by 1 order of magnitude for the thermoelectric power factor. Moreover, the electrochromic properties of functionalized PEDTs gained an effective improvement in the optical contrast and coloration efficiency as well as stability with multicolor changes between neutral and oxidized states. The functionalized PEDTs can be proposed as an alternative strategy to tune the electrochromic and thermoelectric properties for organic polymer materials.

Tailoring the Electrochemical Properties of Carbon Nanotube Modified Indium Tin Oxide via in Situ Grafting of Aryl Diazonium.

PubMed

Hicks, Jacqueline M; Wong, Zhi Yi; Scurr, David J; Silman, Nigel; Jackson, Simon K; Mendes, Paula M; Aylott, Jonathan W; Rawson, Frankie J

2017-05-23

Our ability to tailor the electronic properties of surfaces by nanomodification is paramount for various applications, including development of sensing, fuel cell, and solar technologies. Moreover, in order to improve the rational design of conducting surfaces, an improved understanding of structure/function relationships of nanomodifications and effect they have on the underlying electronic properties is required. Herein, we report on the tuning and optimization of the electrochemical properties of indium tin oxide (ITO) functionalized with single-walled carbon nanotubes (SWCNTs). This was achieved by controlling in situ grafting of aryl amine diazonium films on the nanoscale which were used to covalently tether SWCNTs. The structure/function relationship of these nanomodifications on the electronic properties of ITO was elucidated via time-of-flight secondary ion mass spectrometry and electrochemical and physical characterization techniques which has led to new mechanistic insights into the in situ grafting of diazonium. We discovered that the connecting bond is a nitro group which is covalently linked to a carbon on the aryl amine. The increased understanding of the surface chemistry gained through these studies enabled us to fabricate surfaces with optimized electron transfer kinetics. The knowledge gained from these studies allows for the rational design and tuning of the electronic properties of ITO-based conducting surfaces important for development of various electronic applications.

The Thickness Effect of the Functional Film for the Fabrication of Photovoltaic Module.

PubMed

Shan, Bowen; Kim, Jung Hyun; Choi, Wonseok

2018-09-01

In this study, a functional coating technology to improve the anti-fouling properties of the photo-voltaic module is introduced. The coating was applied on the cover glass, which is the same material as the photovoltaic module. After coating the cover glass once, twice, and three times in the horizontal and vertical directions respectively, the anti-fouling properties was tested according to the coating times and the thickness of the coating film. To ensure the durability of the coating film, the annealing process was performed for 1 hour at 200 °C in a furnace after coating. Finally, the photovoltaic module will be coated with the best coating method. Compared to uncoated modules, the coated photovoltaic modules showed significantly improved anti-fouling properties and also good performance in hardness and adhesion.

Sustainability of Recycled ABS and PA6 by Banana Fiber Reinforcement: Thermal, Mechanical and Morphological Properties

NASA Astrophysics Data System (ADS)

Singh, Rupinder; Kumar, Ranvijay; Ranjan, Nishant

2018-01-01

In the present study efforts have been made to prepare functional prototypes with improved thermal, mechanical and morphological properties from polymeric waste for sustainability. The primary recycled acrylonitrile butadiene styrene (ABS) and polyamide 6 (PA6) has been selected as matrix material with bio-degradable and bio-compatible banana fibers (BF) as reinforcement. The blend (in form of feed stock filament wire) of ABS/PA6 and BF was prepared in house by conventional twin screw extrusion (TSE) process. Finally feed stock filament of ABS/PA6 reinforced with BF was put to run on open source fused deposition modelling based three dimensional printer (without any change in hardware/software of the system) for printing of functional prototypes with improved thermal/mechanical/morphological properties. The results are supported by photomicrographs, thermographs and mechanical testing.

High reactive sulphide chemically supported on silica surface to prepare functional nanoparticle

NASA Astrophysics Data System (ADS)

Chen, Lijuan; Guo, Xiaohui; Jia, Zhixin; Tang, Yuhan; Wu, Lianghui; Luo, Yuanfang; Jia, Demin

2018-06-01

A solid-phase preparation method was applied to obtain a novel, green and effective functional nanoparticle, silica-supported sulfur monochloride (silica-s-S2Cl2), by the chemical reaction between chlorine atom and silicon hydroxyl on the silica surface. Through this chemical reaction, silica surface supported with high content of sulfur, and the functional nanoparticles can not only vulcanize the rubber instead of sulfur or other vulcanizing agent with high performance, but also improve the filler-rubber interaction as a modifier due to the improved modification effect. 29Si NMR, Raman spectroscopy, Element analysis and TGA confirm that the sulfur monochloride is chemically bonded on the silica surface. Cure properties measurement, morphology of filler dispersion, mechanical properties measurement, immobilized polymer layer and oxidation induction time increment together show that the novel vulcanizing agent silica-s-S2Cl2 instead of sulfur in rubber vulcanization gives rise to significant improvement in the crosslinking density and the interfacial adhesion between silica particles and the rubber matrix, which is on account of the promoted vulcanizing on the functional silica nanoparticles surface with the supported sulfur.

Nonsurgical treatment and early return to activity leads to improved Achilles tendon fatigue mechanics and functional outcomes during early healing in an animal model.

PubMed

Freedman, Benjamin R; Gordon, Joshua A; Bhatt, Pankti R; Pardes, Adam M; Thomas, Stephen J; Sarver, Joseph J; Riggin, Corinne N; Tucker, Jennica J; Williams, Alexis W; Zanes, Robert C; Hast, Michael W; Farber, Daniel C; Silbernagel, Karin G; Soslowsky, Louis J

2016-12-01

Achilles tendon ruptures are common and devastating injuries; however, an optimized treatment and rehabilitation protocol has yet to be defined. Therefore, the objective of this study was to investigate the effects of surgical repair and return to activity on joint function and Achilles tendon properties after 3 weeks of healing. Sprague-Dawley rats (N = 100) received unilateral blunt transection of their Achilles tendon. Animals were then randomized into repaired or non-repaired treatments, and further randomized into groups that returned to activity after 1 week (RTA1) or after 3 weeks (RTA3) of limb casting in plantarflexion. Limb function, passive joint mechanics, and tendon properties (mechanical, organizational using high frequency ultrasound, histological, and compositional) were evaluated. Results showed that both treatment and return to activity collectively affected limb function, passive joint mechanics, and tendon properties. Functionally, RTA1 animals had increased dorsiflexion ROM and weight bearing of the injured limb compared to RTA3 animals 3-weeks post-injury. Such functional improvements in RTA1 tendons were evidenced in their mechanical fatigue properties and increased cross sectional area compared to RTA3 tendons. When RTA1 was coupled with nonsurgical treatment, superior fatigue properties were achieved compared to repaired tendons. No differences in cell shape, cellularity, GAG, collagen type I, or TGF-β staining were identified between groups, but collagen type III was elevated in RTA3 repaired tendons. The larger tissue area and increased fatigue resistance created in RTA1 tendons may prove critical for optimized outcomes in early Achilles tendon healing following complete rupture. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:2172-2180, 2016. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Nonsurgical treatment and early return to activity leads to improved Achilles tendon fatigue mechanics and functional outcomes during early healing in an animal model

PubMed Central

Freedman, BR; Gordon, JA; Bhatt, PB; Pardes, AM; Thomas, SJ; Sarver, JJ; Riggin, CN; Tucker, JJ; Williams, AW; Zanes, RC; Hast, MW; Farber, DC; Silbernagel, KG; Soslowsky, LJ

2016-01-01

Achilles tendon ruptures are common and devastating injuries; however, an optimized treatment and rehabilitation protocol has yet to be defined. Therefore, the objective of this study was to investigate the effects of surgical repair and return to activity on joint function and Achilles tendon properties after 3-weeks of healing. Sprague Dawley rats (N=100) received unilateral blunt transection of their Achilles tendon. Animals were then randomized into repaired or non-repaired treatments, and further randomized into groups that returned to activity after 1-week (RTA1) or after 3-weeks (RTA3) of limb casting in plantarflexion. Limb function, passive joint mechanics, and tendon properties (mechanical, organizational using high frequency ultrasound, histological, and compositional) were evaluated. Results showed that both treatment and return to activity collectively affected limb function, passive joint mechanics, and tendon properties. Functionally, RTA1 animals had increased dorsiflexion ROM and weight bearing of the injured limb compared to RTA3 animals 3-weeks post injury. Such functional improvements in RTA1 tendons were evidenced in their mechanical fatigue properties and increased cross sectional area compared to RTA3 tendons. When RTA1 was coupled with nonsurgical treatment, superior fatigue properties were achieved compared to repaired tendons. No differences in cell shape, cellularity, GAG, collagen type I, or TGF-β staining were identified between groups, but collagen type III was elevated in RTA3 repaired tendons. The larger tissue area and increased fatigue resistance created in RTA1 tendons may prove critical for optimized outcomes in early Achilles tendon healing following complete rupture. PMID:27038306

Formation of functionalized nanoclusters by solvent evaporation and their effect on the physicochemical properties of dental composite resins.

PubMed

Rodríguez, Henry A; Giraldo, Luis F; Casanova, Herley

2015-07-01

The aim of this work was to study the effect of silica nanoclusters (SiNC), obtained by a solvent evaporation method and functionalized by 3-methacryloxypropyltrimethoxysilane (MPS) and MPS+octyltrimethoxysilane (OTMS) (50/50wt/wt), on the rheological, mechanical and sorption properties of urethane dimethylacrylate (UDMA)/triethylenglycol dimethacrylate (TEGDMA) (80/20wt/wt) resins blend. Silica nanoparticles (SiNP) were silanized with MPS or MPS+OTMS (50/50wt/wt) and incorporated in an UDMA-isopropanol mix to produce functionalized silica nanoclusters after evaporating the isopropanol. The effect of functionalized SiNC on resins rheological properties was determined by large and small deformation tests. Mechanical, thermal, sorption and solubility properties were evaluated for composite materials. The UDMA/TEGDMA (80/20wt/wt) resins blend with added SiNC (ca. 350nm) and functionalized with MPS showed a Newtonian flow behavior associated to their spheroidal shape, whereas the resins blend with nanoclusters silanized with MPS+OTMS (50/50wt/wt) (ca. 400nm) showed a shear-thinning behavior due to nanoclusters irregular shape. Composite materials prepared with bare silica nanoclusters showed lower compressive strength than functionalized silica nanoclusters. MPS functionalized nanoclusters showed better mechanical properties but higher water sorption than functionalized nanoclusters with both silane coupling agents, MPS and OTMS. The solvent evaporation method applied to functionalized nanoparticles showed to be an alternative way to the sinterization method for producing nanoclusters, which improved some dental composite mechanical properties and reduced water sorption. The shape of functionalized silica nanoclusters showed to have influence on the rheological properties of SiNC resin suspensions and the mechanical and sorption properties of light cured composites. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Mechanical properties and structure-function relationships of human chondrocyte-seeded cartilage constructs after in vitro culture.

PubMed

Middendorf, Jill M; Griffin, Darvin J; Shortkroff, Sonya; Dugopolski, Caroline; Kennedy, Stephen; Siemiatkoski, Joseph; Cohen, Itai; Bonassar, Lawrence J

2017-10-01

Autologous Chondrocyte Implantation (ACI) is a widely recognized method for the repair of focal cartilage defects. Despite the accepted use, problems with this technique still exist, including graft hypertrophy, damage to surrounding tissue by sutures, uneven cell distribution, and delamination. Modified ACI techniques overcome these challenges by seeding autologous chondrocytes onto a 3D scaffold and securing the graft into the defect. Many studies on these tissue engineered grafts have identified the compressive properties, but few have examined frictional and shear properties as suggested by FDA guidance. This study is the first to perform three mechanical tests (compressive, frictional, and shear) on human tissue engineered cartilage. The objective was to understand the complex mechanical behavior, function, and changes that occur with time in these constructs grown in vitro using compression, friction, and shear tests. Safranin-O histology and a DMMB assay both revealed increased sulfated glycosaminoglycan (sGAG) content in the scaffolds with increased maturity. Similarly, immunohistochemistry revealed increased lubricin localization on the construct surface. Confined compression and friction tests both revealed improved properties with increased construct maturity. Compressive properties correlated with the sGAG content, while improved friction coefficients were attributed to increased lubricin localization on the construct surfaces. In contrast, shear properties did not improve with increased culture time. This study suggests the various mechanical and biological properties of tissue engineered cartilage improve at different rates, indicating thorough mechanical evaluation of tissue engineered cartilage is critical to understanding the performance of repaired cartilage. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2298-2306, 2017. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

CO binding improves the structural, functional, physical and anti-oxidation properties of the PEGylated hemoglobin.

PubMed

Wang, Qingqing; Hu, Tao; Sun, Lijing; Ji, Shaoyang; Zhao, Dawei; Liu, Jiaxin; Ma, Guanghui; Su, Zhiguo

2015-02-01

PEGylated hemoglobin (Hb) is a promising oxygen therapeutic agent for clinical application. However, it suffered from structural perturbation, functional instability and methemoglobin (metHb) formation. To improve the structural, functional, physical and anti-oxidation properties of the PEGylated Hb. PEGylation of Hb with CO binding (HbCO) was conducted using maleimide and acylation chemistry, respectively. Physical and chemical parameters were measured for Hb samples. The circular dichroism spectra, dynamic light scattering and analytical ultracentrifugation were used to investigate the structure and conformation of PEGylated HbCO. CO binding can inhibit the autoxidation of the PEGylated Hb, structurally stabilize its tetramer and improve its thermal and pH stability. Importantly, the circular dichroism spectra showed that CO binding can decrease the structural perturbation of Hb induced by PEGylation. The PEGylated HbCO with CO release showed slightly higher oxygen-delivery capacity than the PEGylated Hb. The PEGylated HbCO did not show metHb formation after 30-day storage at 4°C. CO binding structurally stabilized the PEGylated Hb, abolished its metHb formation, and significantly increased its physical stability. In particular, it also avoided the perturbation of PEG chains on the heme microenvironment. The functional property of the PEGylated HbCO can be maintained during its long-term storage, which is of great significance for field transfusion.

Surface properties of anatase TiO2 nanowire films grown from a fluoride-containing solution.

PubMed

Berger, Thomas; Anta, Juan A; Morales-Flórez, Víctor

2013-06-03

Controlling the surface chemistry of nucleating seeds during wet-chemical synthesis allows for the preparation of morphologically well-defined nanostructures. Synthesis conditions play a key role in the surface properties, which directly affect the functional properties of the material. Therefore, it is important to establish post-synthesis treatments to facilitate the optimization of surface properties with respect to a specific application, without losing the morphological peculiarity of the nanostructure. We studied the surface properties of highly crystalline and porous anatase TiO2 nanowire (NW) electrodes, grown by chemical-bath deposition in fluoride-containing solutions, using a combined electrochemical and spectroscopic approach. As-deposited films showed low capacity for catechol adsorption and a poor photoelectrocatalytic activity for water oxidation. Mild thermal annealing at 200 °C resulted in a significant improvement of the electrode photoelectrocatalytic activity, whereas the bulk properties of the NWs (crystal structure, band-gap energy) remained unchanged. Enhancement of the functional properties of the material is discussed on the basis of adsorption capacity and electronic properties. The temperature-induced decrease of recombination centers, along with the concomitant increase of adsorption and reaction sites upon thermal annealing are called to be responsible for such improved performance. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improving Catastrophe Modeling for Business Interruption Insurance Needs.

PubMed

Rose, Adam; Huyck, Charles K

2016-10-01

While catastrophe (CAT) modeling of property damage is well developed, modeling of business interruption (BI) lags far behind. One reason is the crude nature of functional relationships in CAT models that translate property damage into BI. Another is that estimating BI losses is more complicated because it depends greatly on public and private decisions during recovery with respect to resilience tactics that dampen losses by using remaining resources more efficiently to maintain business function and to recover more quickly. This article proposes a framework for improving hazard loss estimation for BI insurance needs. Improved data collection that allows for analysis at the level of individual facilities within a company can improve matching the facilities with the effectiveness of individual forms of resilience, such as accessing inventories, relocating operations, and accelerating repair, and can therefore improve estimation accuracy. We then illustrate the difference this can make in a case study example of losses from a hurricane. © 2016 Society for Risk Analysis.

Properties of autoclaved Gr/PI composites made from improved tack PMR-15 prepreg

NASA Technical Reports Server (NTRS)

Vannucci, R. D.

1985-01-01

Autoclave processing studies were conducted, using improved tack PMR-15 prepreg, to determine the effect of tack enhancing PMR resin modifications on composite processability and mechanical properties. Improved tack graphite fiber reinforced PMR-15 prepregs were prepared and exposed to ambient conditions for various times and then autoclave molded into composites. Composite specimens were prepared and tested for flexural and interlaminar shear strengths at room temperature and 316 C. The retention of flexural and interlaminar shear strength as a function of exposure in air at 316 C was also determined. The results show that the modified PMR resin solutions provide prepreg with improved tack and drape retention characteristics without adversely affecting processability or mechanical properties of autoclave molded graphite fiber reinforced PMR-15 composites.

Reverse osmosis as a potential technique to improve antioxidant properties of fruit juices used for functional beverages.

PubMed

Gunathilake, K D P P; Yu, Li Juan; Rupasinghe, H P Vasantha

2014-04-01

Reverse osmosis (RO) as a potential technique to improve the antioxidant properties of cranberry, blueberry and apple juices was evaluated for the formulation of a functional beverage. The effects of temperature (20-40 °C) and trans-membrane pressure (25-35 bars) on physico-chemical and antioxidant properties of fruit juices were evaluated to optimize the operating parameters for each fruit juice. There was no significant effect on any quality parameters of fruit juices under studied operating parameters of RO. However, total soluble solid, total acidity and colour (a(∗)) of the concentrated juices increased in proportion to their volumetric concentrations. Antioxidant capacity measured by FRAP assay of concentrated apple, blueberry and cranberry juice was increased by 40%, 34%, and 30%, respectively. LDL oxidation inhibition by concentrated blueberry and cranberry juice was increased up to 41% and 45%, respectively. The results suggest that RO can be used for enhancing the health promoting properties of fruit juices. Copyright © 2013 Elsevier Ltd. All rights reserved.

Natural biopolymer-based nanocomposite films for packaging applications.

PubMed

Rhim, Jong-Whan; Ng, Perry K W

2007-01-01

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

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

PubMed Central

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

2011-01-01

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

Improving protein complex classification accuracy using amino acid composition profile.

PubMed

Huang, Chien-Hung; Chou, Szu-Yu; Ng, Ka-Lok

2013-09-01

Protein complex prediction approaches are based on the assumptions that complexes have dense protein-protein interactions and high functional similarity between their subunits. We investigated those assumptions by studying the subunits' interaction topology, sequence similarity and molecular function for human and yeast protein complexes. Inclusion of amino acids' physicochemical properties can provide better understanding of protein complex properties. Principal component analysis is carried out to determine the major features. Adopting amino acid composition profile information with the SVM classifier serves as an effective post-processing step for complexes classification. Improvement is based on primary sequence information only, which is easy to obtain. Copyright © 2013 Elsevier Ltd. All rights reserved.

Physicochemical Characterization of Functional Lignin–Silica Hybrid Fillers for Potential Application in Abrasive Tools

PubMed Central

Strzemiecka, Beata; Klapiszewski, Łukasz; Jamrozik, Artur; Szalaty, Tadeusz J.; Matykiewicz, Danuta; Sterzyński, Tomasz; Voelkel, Adam; Jesionowski, Teofil

2016-01-01

Functional lignin–SiO2 hybrid fillers were prepared for potential application in binders for phenolic resins, and their chemical structure was characterized. The properties of these fillers and of composites obtained from them with phenolic resin were compared with those of systems with lignin or silica alone. The chemical structure of the materials was investigated by Fourier transform infrared spectroscopy (FT-IR) and carbon-13 nuclear magnetic resonance spectroscopy (13C CP MAS NMR). The thermal stability of the new functional fillers was examined by thermogravimetric analysis–mass spectrometry (TG-MS). Thermo-mechanical properties of the lignin–silica hybrids and resin systems were investigated by dynamic mechanical thermal analysis (DMTA). The DMTA results showed that abrasive composites with lignin–SiO2 fillers have better thermo-mechanical properties than systems with silica alone. Thus, fillers based on lignin might provide new, promising properties for the abrasive industry, combining the good properties of lignin as a plasticizer and of silica as a filler improving mechanical properties. PMID:28773639

Cancellation of factorials

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

Zudilin, W W

2001-08-31

An arithmetical property allowing an improvement of some number-theoretic estimates is studied. Previous results were mostly qualitative. Application of quantitative results of the paper to the class of generalized hypergeometric G-functions extends the set of irrational numbers representable as values of these functions.

Functional properties of gluten-free sugar cookies made from amaranth-oat composites

USDA-ARS?s Scientific Manuscript database

Amaranth flour containing the essential amino acid, lysine, was blended with oat products that contain ß-glucan known for lowering blood cholesterol and preventing heart disease. These composites improved nutritional value, water holding capacity and the pasting properties along with their gluten fr...

Jacob's Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface Properties.

PubMed

Vega, Lorena; Ruvireta, Judit; Viñes, Francesc; Illas, Francesc

2018-01-09

The present work surveys the performance of various widely used density functional theory exchange-correlation (xc) functionals in describing observable surface properties of a total of 27 transition metals with face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. A total of 81 low Miller index surfaces were considered employing slab models. Exemplary xc functionals within the three first rungs of Jacob's ladder were considered, including the Vosko-Wilk-Nusair xc functional within the local density approximation, the Perdew-Burke-Ernzerhof (PBE) functional within the generalized gradient approximation (GGA), and the Tao-Perdew-Staroverov-Scuseria functional as a meta-GGA functional. Hybrids were excluded in the survey because they are known to fail in properly describing metallic systems. In addition, two variants of PBE were considered, PBE adapted for solids (PBEsol) and revised PBE (RPBE), aimed at improving adsorption energies. Interlayer atomic distances, surface energies, and surface work functions were chosen as the scrutinized properties. A comparison with available experimental data, including single-crystal and polycrystalline values, shows that no xc functional is best at describing all of the surface properties. However, in statistical mean terms the PBEsol xc functional is advised, while PBE is recommended when considering both bulk and surface properties. On the basis of the present results, a discussion of adapting GGA functionals to the treatment of metallic surfaces in an alternative way to meta-GGA or hybrids is provided.

The basis function approach for modeling autocorrelation in ecological data

USGS Publications Warehouse

Hefley, Trevor J.; Broms, Kristin M.; Brost, Brian M.; Buderman, Frances E.; Kay, Shannon L.; Scharf, Henry; Tipton, John; Williams, Perry J.; Hooten, Mevin B.

2017-01-01

Analyzing ecological data often requires modeling the autocorrelation created by spatial and temporal processes. Many seemingly disparate statistical methods used to account for autocorrelation can be expressed as regression models that include basis functions. Basis functions also enable ecologists to modify a wide range of existing ecological models in order to account for autocorrelation, which can improve inference and predictive accuracy. Furthermore, understanding the properties of basis functions is essential for evaluating the fit of spatial or time-series models, detecting a hidden form of collinearity, and analyzing large data sets. We present important concepts and properties related to basis functions and illustrate several tools and techniques ecologists can use when modeling autocorrelation in ecological data.

Integration of Network Topological and Connectivity Properties for Neuroimaging Classification

PubMed Central

Jie, Biao; Gao, Wei; Wang, Qian; Wee, Chong-Yaw

2014-01-01

Rapid advances in neuroimaging techniques have provided an efficient and noninvasive way for exploring the structural and functional connectivity of the human brain. Quantitative measurement of abnormality of brain connectivity in patients with neurodegenerative diseases, such as mild cognitive impairment (MCI) and Alzheimer’s disease (AD), have also been widely reported, especially at a group level. Recently, machine learning techniques have been applied to the study of AD and MCI, i.e., to identify the individuals with AD/MCI from the healthy controls (HCs). However, most existing methods focus on using only a single property of a connectivity network, although multiple network properties, such as local connectivity and global topological properties, can potentially be used. In this paper, by employing multikernel based approach, we propose a novel connectivity based framework to integrate multiple properties of connectivity network for improving the classification performance. Specifically, two different types of kernels (i.e., vector-based kernel and graph kernel) are used to quantify two different yet complementary properties of the network, i.e., local connectivity and global topological properties. Then, multikernel learning (MKL) technique is adopted to fuse these heterogeneous kernels for neuroimaging classification. We test the performance of our proposed method on two different data sets. First, we test it on the functional connectivity networks of 12 MCI and 25 HC subjects. The results show that our method achieves significant performance improvement over those using only one type of network property. Specifically, our method achieves a classification accuracy of 91.9%, which is 10.8% better than those by single network-property-based methods. Then, we test our method for gender classification on a large set of functional connectivity networks with 133 infants scanned at birth, 1 year, and 2 years, also demonstrating very promising results. PMID:24108708

Laser shape setting of superelastic nitinol wires: Functional properties and microstructure

NASA Astrophysics Data System (ADS)

Tuissi, Ausonio; Coduri, Mauro; Biffi, Carlo Alberto

Shape setting is one of the most important steps in the production route of Nitinol Shape Memory Alloys (SMAs), as it can fix the functional properties, such as the shape memory effect and the superelasticity (SE). The conventional method for making the shape setting is performed at 400-500∘C in furnaces. In this work, a laser beam was adopted for performing straight shape setting on commercially available austenitic Nitinol thin wires. The laser beam, at different power levels, was moved along the wire length for inducing the functional performances. Calorimetric, pseudo-elastic and microstructural features of the laser annealed wires were studied through differential scanning calorimetry, tensile testing and high energy X-ray diffraction, respectively. It can be stated that the laser technology can induce SE in thin Nitinol wires: the wire performances can be modulated in function of the laser power and improved functional properties can be obtained.

Immune-enhancing activities of low molecular weight β-glucan depolymerized by gamma irradiation

NASA Astrophysics Data System (ADS)

Sung, Nak-Yun; Byun, Eui-Hong; Kwon, Sun-Kyu; Song, Beom-Seok; Choi, Jong-il; Kim, Jae-Hun; Byun, Myung-Woo; Yoo, Young-Choon; Kim, Mee-Ree; Lee, Ju-Woon

2009-07-01

β-glucans are structural cell wall polymers of many microorganisms and cereals which possess immunomodulatory properties and have been used in the food, cosmetic and medical industry. In our previous study, β-glucan was depolymerized by gamma irradiation and leads to improve the solubility and viscosity. This study was carried out to evaluate the functional properties, mainly immune-enhancing activities of low molecular weight β-glucan fragmented by gamma irradiation. The results showed that RAW 264.7 macrophage cell stimulation activities of irradiated β-glucan were higher than that of non-irradiated β-glucan. In addition, the oral administration of gamma-irradiated β-glucan significantly increased the proliferation and cytokine (IFN-γ and IL-2) release of spleen and Peyer's patch cells compared with non-irradiated β-glucan. In conclusion, gamma irradiation could be used as an effective method for the production of depolymerized β-glucan improved functional property such as immunomodulatory activity.

The interactions of composting and biochar and their implications for soil amendment and pollution remediation: a review.

PubMed

Wu, Haipeng; Lai, Cui; Zeng, Guangming; Liang, Jie; Chen, Jin; Xu, Jijun; Dai, Juan; Li, Xiaodong; Liu, Junfeng; Chen, Ming; Lu, Lunhui; Hu, Liang; Wan, Jia

2017-09-01

Compost and biochar, used for the remediation of soil, are seen as attractive waste management options for the increasing volume of organic wastes being produced. This paper reviews the interaction of biochar and composting and its implication for soil amendment and pollution remediation. The interaction of biochar and composting affect each other's properties. Biochar could change the physico-chemical properties, microorganisms, degradation, humification and gas emission of composting, such as the increase of nutrients, cation exchange capacity (CEC), organic matter and microbial activities. The composting could also change the physico-chemical properties and facial functional groups of biochar, such as the improvement of nutrients, CEC, functional groups and organic matter. These changes would potentially improve the efficiency of the biochar and composting for soil amendment and pollution remediation. Based on the above review, this paper also discusses the future research required in this field.

Soluble Milk Proteins Improve Muscle Mass Recovery after Immobilization-Induced Muscle Atrophy in Old Rats but Do not Improve Muscle Functional Property Restoration.

PubMed

Verney, J; Martin, V; Ratel, S; Chavanelle, V; Bargetto, M; Etienne, M; Chaplais, E; Le Ruyet, P; Bonhomme, C; Combaret, L; Guillet, C; Boisseau, N; Sirvent, P; Dardevet, D

2017-01-01

Effect of 3 different dairy protein sources on the recovery of muscle function after limb immobilization in old rats. Longitudinal animal study. Institut National de la Recherche Agronomique (INRA). The study took part in a laboratory setting. Old rats were subjected to unilateral hindlimb immobilization for 8 days and then allowed to recover with 3 different dietary proteins: casein, soluble milk proteins or whey proteins for 49 days. Body weight, muscle mass, muscle fibre size, isometric, isokinetic torque, muscle fatigability and muscle oxidative status were measured before and at the end of the immobilization period and during the recovery period i.e 7, 21, 35 and 49 days post immobilization. In contrast to the casein diet, soluble milk proteins and whey proteins were efficient to favor muscle mass recovery after cast immobilization during aging. By contrast, none of the 3 diary proteins was able to improve muscle strength, power and fatigability showing a discrepancy between the recovery of muscle mass and function. However, the soluble milk proteins allowed a better oxidative capacity in skeletal muscle during the rehabilitation period. Whey proteins and soluble milk proteins improve muscle mass recovery after immobilization-induced muscle atrophy in old rats but do not allow muscle functional property restoration.

Emergent Global Patterns of Ecosystem Structure and Function from a Mechanistic General Ecosystem Model

PubMed Central

Emmott, Stephen; Hutton, Jon; Lyutsarev, Vassily; Smith, Matthew J.; Scharlemann, Jörn P. W.; Purves, Drew W.

2014-01-01

Anthropogenic activities are causing widespread degradation of ecosystems worldwide, threatening the ecosystem services upon which all human life depends. Improved understanding of this degradation is urgently needed to improve avoidance and mitigation measures. One tool to assist these efforts is predictive models of ecosystem structure and function that are mechanistic: based on fundamental ecological principles. Here we present the first mechanistic General Ecosystem Model (GEM) of ecosystem structure and function that is both global and applies in all terrestrial and marine environments. Functional forms and parameter values were derived from the theoretical and empirical literature where possible. Simulations of the fate of all organisms with body masses between 10 µg and 150,000 kg (a range of 14 orders of magnitude) across the globe led to emergent properties at individual (e.g., growth rate), community (e.g., biomass turnover rates), ecosystem (e.g., trophic pyramids), and macroecological scales (e.g., global patterns of trophic structure) that are in general agreement with current data and theory. These properties emerged from our encoding of the biology of, and interactions among, individual organisms without any direct constraints on the properties themselves. Our results indicate that ecologists have gathered sufficient information to begin to build realistic, global, and mechanistic models of ecosystems, capable of predicting a diverse range of ecosystem properties and their response to human pressures. PMID:24756001

Emergent global patterns of ecosystem structure and function from a mechanistic general ecosystem model.

PubMed

Harfoot, Michael B J; Newbold, Tim; Tittensor, Derek P; Emmott, Stephen; Hutton, Jon; Lyutsarev, Vassily; Smith, Matthew J; Scharlemann, Jörn P W; Purves, Drew W

2014-04-01

Anthropogenic activities are causing widespread degradation of ecosystems worldwide, threatening the ecosystem services upon which all human life depends. Improved understanding of this degradation is urgently needed to improve avoidance and mitigation measures. One tool to assist these efforts is predictive models of ecosystem structure and function that are mechanistic: based on fundamental ecological principles. Here we present the first mechanistic General Ecosystem Model (GEM) of ecosystem structure and function that is both global and applies in all terrestrial and marine environments. Functional forms and parameter values were derived from the theoretical and empirical literature where possible. Simulations of the fate of all organisms with body masses between 10 µg and 150,000 kg (a range of 14 orders of magnitude) across the globe led to emergent properties at individual (e.g., growth rate), community (e.g., biomass turnover rates), ecosystem (e.g., trophic pyramids), and macroecological scales (e.g., global patterns of trophic structure) that are in general agreement with current data and theory. These properties emerged from our encoding of the biology of, and interactions among, individual organisms without any direct constraints on the properties themselves. Our results indicate that ecologists have gathered sufficient information to begin to build realistic, global, and mechanistic models of ecosystems, capable of predicting a diverse range of ecosystem properties and their response to human pressures.

Effect of Functionalization of Graphene Nanoplatelets on the Mechanical and Thermal Properties of Silicone Rubber Composites

PubMed Central

Zhang, Guangwu; Wang, Fuzhong; Dai, Jing; Huang, Zhixiong

2016-01-01

This study investigated the effect of silane and surfactant treatments of graphene nanoplatelets (GnPs) on the mechanical and thermal properties of silicone rubber (SR) composites. GnPs were modified with aminopropyltriethoxysilane (APTES), vinyltrimethoxysilane (VTMS), and Triton X-100, and then the pristine GnPs and functionalized GnPs were individually incorporated into the SR. Compared with the pristine GnP/SR composite, the composites reinforced with modified GnP showed better tensile strength, elongation at break, and thermal conductivity properties due to better dispersion of modified GnPs and stronger interfacial interactions between the modified GnPs and matrix. The mechanical properties and thermal conductivity of the VTMS-GnP/SR composite were comparable to the properties of the Triton-GnP counterpart, but better than that of the APTES-GnP/SR composite. In addition, the VTMS-GnP/SR composite demonstrated the highest thermal stability and crystallization temperature among the four types of composites. The remarkable improvement of mechanical and thermal properties of the VTMS-GnP/SR composite was mainly due to the covalent linkage of VTMS-GnP with SR. The VTMS treatment was a more appropriate modification of GnP particles to improve the multifunctional properties of SR. PMID:28787891

Effect of Functionalization of Graphene Nanoplatelets on the Mechanical and Thermal Properties of Silicone Rubber Composites.

PubMed

Zhang, Guangwu; Wang, Fuzhong; Dai, Jing; Huang, Zhixiong

2016-02-02

This study investigated the effect of silane and surfactant treatments of graphene nanoplatelets (GnPs) on the mechanical and thermal properties of silicone rubber (SR) composites. GnPs were modified with aminopropyltriethoxysilane (APTES), vinyltrimethoxysilane (VTMS), and Triton X-100, and then the pristine GnPs and functionalized GnPs were individually incorporated into the SR. Compared with the pristine GnP/SR composite, the composites reinforced with modified GnP showed better tensile strength, elongation at break, and thermal conductivity properties due to better dispersion of modified GnPs and stronger interfacial interactions between the modified GnPs and matrix. The mechanical properties and thermal conductivity of the VTMS-GnP/SR composite were comparable to the properties of the Triton-GnP counterpart, but better than that of the APTES-GnP/SR composite. In addition, the VTMS-GnP/SR composite demonstrated the highest thermal stability and crystallization temperature among the four types of composites. The remarkable improvement of mechanical and thermal properties of the VTMS-GnP/SR composite was mainly due to the covalent linkage of VTMS-GnP with SR. The VTMS treatment was a more appropriate modification of GnP particles to improve the multifunctional properties of SR.

Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods

DOE PAGES

Kolb, Brian; Lentz, Levi C.; Kolpak, Alexie M.

2017-04-26

Modern ab initio methods have rapidly increased our understanding of solid state materials properties, chemical reactions, and the quantum interactions between atoms. However, poor scaling often renders direct ab initio calculations intractable for large or complex systems. There are two obvious avenues through which to remedy this problem: (i) develop new, less expensive methods to calculate system properties, or (ii) make existing methods faster. This paper describes an open source framework designed to pursue both of these avenues. PROPhet (short for PROPerty Prophet) utilizes machine learning techniques to find complex, non-linear mappings between sets of material or system properties. Themore » result is a single code capable of learning analytical potentials, non-linear density functionals, and other structure-property or property-property relationships. These capabilities enable highly accurate mesoscopic simulations, facilitate computation of expensive properties, and enable the development of predictive models for systematic materials design and optimization. Here, this work explores the coupling of machine learning to ab initio methods through means both familiar (e.g., the creation of various potentials and energy functionals) and less familiar (e.g., the creation of density functionals for arbitrary properties), serving both to demonstrate PROPhet’s ability to create exciting post-processing analysis tools and to open the door to improving ab initio methods themselves with these powerful machine learning techniques.« less

Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods

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

Kolb, Brian; Lentz, Levi C.; Kolpak, Alexie M.

Modern ab initio methods have rapidly increased our understanding of solid state materials properties, chemical reactions, and the quantum interactions between atoms. However, poor scaling often renders direct ab initio calculations intractable for large or complex systems. There are two obvious avenues through which to remedy this problem: (i) develop new, less expensive methods to calculate system properties, or (ii) make existing methods faster. This paper describes an open source framework designed to pursue both of these avenues. PROPhet (short for PROPerty Prophet) utilizes machine learning techniques to find complex, non-linear mappings between sets of material or system properties. Themore » result is a single code capable of learning analytical potentials, non-linear density functionals, and other structure-property or property-property relationships. These capabilities enable highly accurate mesoscopic simulations, facilitate computation of expensive properties, and enable the development of predictive models for systematic materials design and optimization. Here, this work explores the coupling of machine learning to ab initio methods through means both familiar (e.g., the creation of various potentials and energy functionals) and less familiar (e.g., the creation of density functionals for arbitrary properties), serving both to demonstrate PROPhet’s ability to create exciting post-processing analysis tools and to open the door to improving ab initio methods themselves with these powerful machine learning techniques.« less

Self-cleaning cotton functionalized with TiO2/SiO2: focus on the role of silica.

PubMed

Pakdel, Esfandiar; Daoud, Walid A

2013-07-01

This manuscript aims to investigate the functionalization of cotton fabrics with TiO2/SiO2. In this study, the sol-gel method was employed to prepare titania and silica sols and the functionalization was carried out using the dip-pad-dry-cure process. Titanium tetra isopropoxide (TTIP) and tetra ethyl orthosilicate (TEOS) were utilized as precursors of TiO2 and SiO2, respectively. TiO2/SiO2 composite sols were prepared in three different Ti:Si molar ratios of 1:0.43, 1:1, and 1:2.33. The self-cleaning property of cotton samples functionalized with TiO2/SiO2 was assessed based on the coffee stain removal capability and the decomposition rate of methylene blue under UV irradiation. FTIR study of the TiO2/SiO2 photocatalyst confirmed the existence of Si-O-Si and Ti-O-Si bonds. Scanning electron microscopy was employed to investigate the morphology of the functionalized cotton samples. The samples coated with TiO2/SiO2 showed greater ability of coffee stain removal and methylene blue degradation compared with samples functionalized with TiO2 demonstrating improved self-cleaning properties. The role of SiO2 in improving these properties is also discussed. Copyright © 2013 Elsevier Inc. All rights reserved.

Improving Physical Properties via C–H Oxidation: Chemical and Enzymatic Approaches

PubMed Central

Michaudel, Quentin; Journot, Guillaume; Regueiro-Ren, Alicia; Goswami, Animesh; Guo, Zhiwei; Tully, Thomas P.; Zou, Lufeng; Ramabhadran, Raghunath O.; Houk, Kendall N.

2014-01-01

Physicochemical properties constitute a key factor for the success of a drug candidate. Whereas many strategies to improve the physicochemical properties of small heterocycle-type leads exist, complex hydrocarbon skeletons are more challenging to derivatize due to the absence of functional groups. A variety of C–H oxidation methods have been explored on the betulin skeleton to improve the solubility of this very bioactive, yet poorly water soluble, natural product. Capitalizing on the innate reactivity of the molecule, as well as the few molecular handles present on the core, allowed for oxidations at different positions across the pentacyclic structure. Enzymatic oxidations afforded several orthogonal oxidations to chemical methods. Solubility measurements showed an enhancement for many of the synthesized compounds. PMID:25244630

Native and microwave-modified Terminalia mantaly gums as sustained-release and bioadhesive excipients in naproxen matrix tablet formulations.

PubMed

Odeniyi, Michael Ayodele; Oyedokun, Babatunde Mukhtar; Bamiro, Oluyemisi Adebowale

2017-01-01

Hydrophilic polymers provide a means of sustaining drug delivery. Native gums may be limited in function, but modification may improve their activity. The aim of the study was to evaluate native and modified forms of Terminalia mantaly gum for their sustained-release and bioadhesive properties. The native gum (NTM) was modified by microwave irradiation for 20 seconds (MTM20) and 60 seconds (MTM60) and characterized using microscopy, Fourier transform infrared spectroscopy (FTIR) and packing properties. The effects of the thermally induced molecular reorientation were determined. Tablet formulations of naproxen were produced by direct compression. The mechanical, bioadhesive and release properties of the formulations were determined. Irradiation of NTM improved the gum's flow properties, resulting in Carr's Index and Hausner's ratios lower than 16% and 1.25, respectively. Swelling studies showed that MTM20 and MTM60 had lower water absorption capacity and swelling index values, while packing properties improved upon irradiation, as depicted by lower tapped density values. FTIR spectra of samples showed that the irradiated gums were distinct from the native gums and did not interact with naproxen sodium. The gum's mechanical properties improved with MTM20 and MTM60 and sustained-release action of up 12 h was obtained. Inclusion of hydroxypropyl methylcellulose (HPMC) in the tablet formulations proved critical for bioadhesion. Microwave irradiation of native Terminalia mantaly gum improved the flow, mechanical and sustained-release properties of Naproxen tablets, and the addition of HPMC increased bioadhesion properties. The tablet properties of the native gum were significantly improved after 20 s of microwave irradiation.

Swirling cavitation improves the emulsifying properties of commercial soy protein isolate.

PubMed

Yang, Feng; Liu, Xue; Ren, Xian'e; Huang, Yongchun; Huang, Chengdu; Zhang, Kunming

2018-04-01

Since emulsifying properties are important functional properties of soy protein, many physical, chemical, and enzymatic methods have been applied to treat soy protein to improve emulsifying properties. In this study, we investigated the effects of swirling cavitation at different pressures and for different times on emulsifying and physicochemical properties of soy protein isolate (SPI). The SPI treated with swirling cavitation showed a significant decrease in particle size and increase in solubility. Emulsions formed from treated SPI had higher emulsifying activity and emulsifying stability indexes, smaller oil droplet sizes, lower flocculation indexes, higher adsorbed proteins, lower interfacial protein concentrations, and lower creaming indexes than those formed from untreated SPI, indicating that swirling cavitation improved the emulsifying properties of the SPI. Furthermore, swirling cavitation treatment significantly enhanced the surface hydrophobicity, altered the disulfide bond and exposed sulfhydryl group contents of the SPI. The secondary structure of the SPI was also influenced by swirling cavitation, with an increase in β-sheet content and a decrease in α-helix, β-turn, and random coil contents. In addition, several significant correlations between physicochemical and emulsifying properties were revealed by Pearson correlation analysis, suggesting that the physicochemical changes observed in treated SPI, including the decreased particle size, increased solubility and surface hydrophobicity, and enhanced β-sheet formation, may explain the improved emulsifying properties of the isolate. Thus, our findings implied that swirling cavitation treatment may be an effective technique to improve the emulsifying properties of SPI. Copyright © 2017 Elsevier B.V. All rights reserved.

Engineering responsive supramolecular biomaterials: Toward smart therapeutics.

PubMed

Webber, Matthew J

2016-09-01

Engineering materials using supramolecular principles enables generalizable and modular platforms that have tunable chemical, mechanical, and biological properties. Applying this bottom-up, molecular engineering-based approach to therapeutic design affords unmatched control of emergent properties and functionalities. In preparing responsive materials for biomedical applications, the dynamic character of typical supramolecular interactions facilitates systems that can more rapidly sense and respond to specific stimuli through a fundamental change in material properties or characteristics, as compared to cases where covalent bonds must be overcome. Several supramolecular motifs have been evaluated toward the preparation of "smart" materials capable of sensing and responding to stimuli. Triggers of interest in designing materials for therapeutic use include applied external fields, environmental changes, biological actuators, applied mechanical loading, and modulation of relative binding affinities. In addition, multistimuli-responsive routes can be realized that capture combinations of triggers for increased functionality. In sum, supramolecular engineering offers a highly functional strategy to prepare responsive materials. Future development and refinement of these approaches will improve precision in material formation and responsiveness, seek dynamic reciprocity in interactions with living biological systems, and improve spatiotemporal sensing of disease for better therapeutic deployment.

Computational approaches for drug discovery.

PubMed

Hung, Che-Lun; Chen, Chi-Chun

2014-09-01

Cellular proteins are the mediators of multiple organism functions being involved in physiological mechanisms and disease. By discovering lead compounds that affect the function of target proteins, the target diseases or physiological mechanisms can be modulated. Based on knowledge of the ligand-receptor interaction, the chemical structures of leads can be modified to improve efficacy, selectivity and reduce side effects. One rational drug design technology, which enables drug discovery based on knowledge of target structures, functional properties and mechanisms, is computer-aided drug design (CADD). The application of CADD can be cost-effective using experiments to compare predicted and actual drug activity, the results from which can used iteratively to improve compound properties. The two major CADD-based approaches are structure-based drug design, where protein structures are required, and ligand-based drug design, where ligand and ligand activities can be used to design compounds interacting with the protein structure. Approaches in structure-based drug design include docking, de novo design, fragment-based drug discovery and structure-based pharmacophore modeling. Approaches in ligand-based drug design include quantitative structure-affinity relationship and pharmacophore modeling based on ligand properties. Based on whether the structure of the receptor and its interaction with the ligand are known, different design strategies can be seed. After lead compounds are generated, the rule of five can be used to assess whether these have drug-like properties. Several quality validation methods, such as cost function analysis, Fisher's cross-validation analysis and goodness of hit test, can be used to estimate the metrics of different drug design strategies. To further improve CADD performance, multi-computers and graphics processing units may be applied to reduce costs. © 2014 Wiley Periodicals, Inc.

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

PubMed

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

1978-01-01

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

Improved dielectric functions in metallic films obtained via template stripping

NASA Astrophysics Data System (ADS)

Hyuk Park, Jong; Nagpal, Prashant; Oh, Sang-Hyun; Norris, David J.

2012-02-01

We compare the dielectric functions of silver interfaces obtained via thermal evaporation with those obtained with template stripping. Ellipsometry measurements show that the smoother template-stripped surfaces exhibit effective dielectric functions with a more negative real component and a smaller imaginary component, implying higher conductivity and less energy loss, respectively. These results agree with the relation between dielectric function and surface roughness derived from combining the effective-medium model and the Drude-Lorentz model. The improvement in the effective dielectric properties shows that metallic films prepared via template stripping can be favorable for applications in electronics, nanophotonics, and plasmonics.

Enrichment of functional properties of ice cream with pomegranate by-products.

PubMed

Çam, Mustafa; Erdoğan, Fatma; Aslan, Duygu; Dinç, Merve

2013-10-01

Pomegranate peel rich in phenolics, and pomegranate seed which contain a conjugated fatty acid namely punicic acid in lipid fraction remain as by-products after processing the fruit into juice. Ice cream is poor in polyunsaturated fatty acids and phenolics, therefore, this study was conducted to improve the functional properties of ice cream by incorporating pomegranate peel phenolics and pomegranate seed oil. Incorporation of the peel phenolics into ice cream at the levels of 0.1% and 0.4% (w/w) resulted in significant changes in the pH, total acidity, and color of the samples. The most prominent outcomes of phenolic incorporation were sharp improvements in antioxidant and antidiabetic activities as well as the phenolic content of ice creams. Replacement of pomegranate seed oil by milk fat at the levels of 2.0% and 4.0% (w/w) increased the conjugated fatty acid content. However, perception of oxidized flavor increased with the additional seed oil. When one considers the functional and nutritional improvements in the enrichment of the ice cream together with overall acceptability results of the sensory analysis, then it follows from this study that ice creams enriched with pomegranate peel phenolics up to 0.4% (w/w) and pomegranate seed oil up to 2.0% (w/w) could be introduced to markets as functional ice cream. Enrichment of ice creams with pomegranate by-products might provide consumers health benefits with striking functional properties of punicalagins in pomegranate peel, and punicic acid in pomegranate seed oil. © 2013 Institute of Food Technologists®

Coculture of human mesenchymal stem cells and articular chondrocytes reduces hypertrophy and enhances functional properties of engineered cartilage.

PubMed

Bian, Liming; Zhai, David Y; Mauck, Robert L; Burdick, Jason A

2011-04-01

Mesenchymal stem cells (MSCs) are being recognized as a viable cell source for cartilage repair; however, it still remains a challenge to recapitulate the functional properties of native articular cartilage using only MSCs. Additionally, MSCs may exhibit a hypertrophic phenotype under chondrogenic induction, resulting in calcification after ectopic transplantation. With this in mind, the objective of this study was to assess whether the addition of chondrocytes to MSC cultures influences the properties of tissue-engineered cartilage and MSC hypertrophy when cultured in hyaluronic acid hydrogels. Mixed cell populations (human MSCs and human chondrocytes at a ratio of 4:1) were encapsulated in the hydrogels and exhibited significantly higher Young's moduli, dynamic moduli, glycosaminoglycan levels, and collagen content than did constructs seeded with only MSCs or chondrocytes. Furthermore, the deposition of collagen X, a marker of MSC hypertrophy, was significantly lower in the coculture constructs than in the constructs seeded with MSCs alone. When MSCs and chondrocytes were cultured in distinct gels, but in the same wells, there was no improvement in biomechanical and biochemical properties of the engineered tissue, implying that a close proximity is essential. This approach can be used to improve the properties and prevent calcification of engineered cartilage formed from MSC-seeded hydrogels with the addition of lower fractions of chondrocytes, leading to improved clinical outcomes.

Nanomaterials for Functional Textiles and Fibers

NASA Astrophysics Data System (ADS)

Rivero, Pedro J.; Urrutia, Aitor; Goicoechea, Javier; Arregui, Francisco J.

2015-12-01

Nanoparticles are very interesting because of their surface properties, different from bulk materials. Such properties make possible to endow ordinary products with new functionalities. Their relatively low cost with respect to other nano-additives make them a promising choice for industrial mass-production systems. Nanoparticles of different kind of materials such as silver, titania, and zinc oxide have been used in the functionalization of fibers and fabrics achieving significantly improved products with new macroscopic properties. This article reviews the most relevant approaches for incorporating such nanoparticles into synthetic fibers used traditionally in the textile industry allowing to give a solution to traditional problems for textiles such as the microorganism growth onto fibers, flammability, robustness against ultraviolet radiation, and many others. In addition, the incorporation of such nanoparticles into special ultrathin fibers is also analyzed. In this field, electrospinning is a very promising technique that allows the fabrication of ultrathin fiber mats with an extraordinary control of their structure and properties, being an ideal alternative for applications such as wound healing or even functional membranes.

Nanomaterials for Functional Textiles and Fibers.

PubMed

Rivero, Pedro J; Urrutia, Aitor; Goicoechea, Javier; Arregui, Francisco J

2015-12-01

Nanoparticles are very interesting because of their surface properties, different from bulk materials. Such properties make possible to endow ordinary products with new functionalities. Their relatively low cost with respect to other nano-additives make them a promising choice for industrial mass-production systems. Nanoparticles of different kind of materials such as silver, titania, and zinc oxide have been used in the functionalization of fibers and fabrics achieving significantly improved products with new macroscopic properties. This article reviews the most relevant approaches for incorporating such nanoparticles into synthetic fibers used traditionally in the textile industry allowing to give a solution to traditional problems for textiles such as the microorganism growth onto fibers, flammability, robustness against ultraviolet radiation, and many others. In addition, the incorporation of such nanoparticles into special ultrathin fibers is also analyzed. In this field, electrospinning is a very promising technique that allows the fabrication of ultrathin fiber mats with an extraordinary control of their structure and properties, being an ideal alternative for applications such as wound healing or even functional membranes.

Mapping structural and functional changes in esterase-treated pectin and characterizing enzyme mode of action

USDA-ARS?s Scientific Manuscript database

We hypothesized that pectin nanostructure can be enzymatically engineered with pectin methylesterase (PME) to tailor functionalities with improved consumer properties not available via conventional formulation or processing. Organoleptic qualities of processed and formulated foods are primary determ...

Effects of functional β-glucan on proliferation, differentiation, metabolism and its anti-fibrosis properties in muscle cells.

PubMed

Li, Yan; Fan, Yihui; Pan, Haiou; Qian, Haifeng; Qi, Xiguang; Wu, Gangcheng; Zhang, Hui; Xu, Meijuan; Rao, Zhiming; Wang, Li; Ying, Hao

2018-05-26

Skeletal muscles plays a crucial role in metabolism and exercise. Fuctional β-glucan is polysaccharide that is found in the cell walls of cereal, which is known to reduce cholesterol and lipid, prevent diabetes, cancer and cardiovascular diseases. In an attempt to identify β-glucan that could promote skeletal muscle function, we analyzed the proliferation, differentiation, metabolism and anti-fibrotic properties of β-glucan in C2C12 muscle cells. Treatment of β-glucan in C2C12 myoblasts led to increased proliferation and differentiation. Besides that, we found that C2C12 myotubes treated with β-glucan displayed a fast-to-slow muscle fiber conversion and improved oxidative metabolism. Further study revealed that β-glucan treatment could prevent myotubes from becoming myofibroblasts. Together, our study suggests that functional β-glucan might have a therapeutic potential to improve skeletal muscle function, which might contribute to the development of β-glucan. Copyright © 2018. Published by Elsevier B.V.

Substituent effects on furan-phenylene copolymer for photovoltaic improvement: A density functional study

NASA Astrophysics Data System (ADS)

Janprapa, Nuttaporn; Vchirawongkwin, Viwat; Kritayakornupong, Chinapong

2018-06-01

The structural, electronic and photovoltaic properties of furan-phenylene copolymer ((Fu-co-Ph)4) and its derivatives were evaluated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The calculated band gaps of pristine furan and phenylene are in good agreement with the available experimental data. The lower band gap value of 2.72 eV was obtained from -NO2 and -NHCH3 substituents, leading to broader solar absorption range. With respected to the reorganization energy, -OCH3, -NHCH3, -OH, -SCH3, -CH3, -CF3, -NO2, and -F substituted (Fu-co-Ph)4 structures were classified as better electron donor materials. For combination with PC61BM, -NO2, -CN, -CF3 and -F functionalized copolymers demonstrated significantly higher open circuit voltage (Voc) values ranging from 1.07 to 2.10 eV. Our results revealed that electron withdrawing group substitution on furan-phenylene copolymers was an effective way for improving electronic and optical properties of donor materials used in photovoltaic applications.

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

PubMed

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

2009-10-28

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

Comparative study of the functional properties of lupin, green pea, fava bean, hemp, and buckwheat flours as affected by pH

PubMed Central

Raikos, Vassilios; Neacsu, Madalina; Russell, Wendy; Duthie, Garry

2014-01-01

The demand for products of high nutritional value from sustainable sources is growing rapidly in the global food market. In this study, the effect of pH on the functional properties of lupin, green pea, fava bean, hemp, and buckwheat flours was investigated and compared with wheat flour. Functional properties included solubility, emulsifying and foaming properties, gelling ability, and water holding capacity (WHC). All flours had minimal solubility at pH 4 and their corresponding values increased with increasing pH. Emulsifying properties were improved at pH 10 for all samples and emulsion stability showed a similar trend. Increasing pH in the range 4–10 enhanced the foaming properties of the flours, particularly buckwheat and hemp. Wheat, green pea, buckwheat, and fava bean were more capable of forming firm gels compared with lupin and hemp, as indicated by least gelling concentrations (LGCs). The ranking of the water binding properties of the different types of flours were lupin>hemp>fava bean>buckwheat>green pea>wheat. Results indicate that underutilized flours from sustainable plant sources could be exploited by the food industry as functional food ingredients or as replacements of wheat flour for various food applications. Depending on the application, flour functionality may be effectively tailored by pH adjustment. PMID:25493199

Improvement of the Thermal and Optical Performances of Protective Polydimethylsiloxane Space Coatings with Cellulose Nanocrystal Additives.

PubMed

Planes, Mikael; Brand, Jérémie; Lewandowski, Simon; Remaury, Stéphanie; Solé, Stéphane; Le Coz, Cédric; Carlotti, Stéphane; Sèbe, Gilles

2016-10-07

This work investigates the possibility of using cellulose nanocrystals (CNCs) as biobased nanoadditives in protective polydimethylsiloxane (PDMS) space coatings, to improve the thermal and optical performances of the material. CNCs produced from wood pulp were functionalized in different conditions with the objective to improve their dispersibility in the PDMS matrix, increase their thermal stability and provide photoactive functions. Polysiloxane, cinnamate, chloroacetate and trifluoroacetate moieties were accordingly anchored at the CNCs surface by silylation, using two different approaches, or acylation with different functional vinyl esters. The modified CNCs were thoroughly characterized by FT-IR spectroscopy, solid-state NMR spectroscopy and thermogravimetric analysis, before being incorporated into a PDMS space coating formulation in low concentration (0.5 to 4 wt %). The cross-linked PDMS films were subsequently investigated with regards to their mechanical behavior, thermal stability and optical properties after photoaging. Results revealed that the CNC additives could significantly improve the thermal stability of the PDMS coating, up to 140 °C, depending on the treatment and CNC concentration, without affecting the mechanical properties and transparency of the material. In addition, the PDMS films loaded with as low as 1 wt % halogenated nanoparticles, exhibited an improved UV-stability after irradiation in geostationary conditions.

Synthesis and evaluation of novel siloxane-methacrylate monomers used as dentin adhesives

PubMed Central

Ge, Xueping; Ye, Qiang; Song, Linyong; Misra, Anil; Spencer, Paulette

2014-01-01

Objectives The objectives of this study were to synthesize two new siloxane-methacrylate (SM) monomers for application in dentin adhesives and to investigate the influence of different functionality of the siloxane-containing monomers on the adhesive photopolymerization, water sorption, and mechanical properties. Materials and method Two siloxane-methacrylate monomers (SM1 and SM2) with four and eight methacrylate groups were synthesized. Dentin adhesives containing BisGMA, HEMA and the siloxane-methacrylate monomers were photo-polymerized. The experimental adhesives were compared with the control adhesive (HEMA/BisGMA 45/55 w/w) and characterized with regard to degree of conversion (DC), water miscibility of the liquid resin, water sorption and dynamic mechanical analysis (DMA). Results The experimental adhesives exhibited improved water miscibility as compared to the control. When cured in the presence of 12 wt % water to simulate the wet environment of the mouth, the SM-containing adhesives showed DC comparable to the control. The experimental adhesives showed higher rubbery modulus than the control under dry conditions. Under wet conditions, the mechanical properties of the formulations containing SM monomer with increased functionality were comparable with the control, even with more water sorption. Significance The concentration and functionality of the newly synthesized siloxane-methacrylate monomers affected the water miscibility, water sorption and mechanical properties of the adhesives. The experimental adhesives show improved water compatibility compared with the control. The mechanical properties were enhanced with an increase of the functionality of the siloxane-containing monomers. The results provide critical structure/property relationships and important information for future development of durable, versatile siloxane-containing dentin adhesives. PMID:24993811

Synthesis and evaluation of novel siloxane-methacrylate monomers used as dentin adhesives.

PubMed

Ge, Xueping; Ye, Qiang; Song, Linyong; Misra, Anil; Spencer, Paulette

2014-09-01

The objectives of this study were to synthesize two new siloxane-methacrylate (SM) monomers for application in dentin adhesives and to investigate the influence of different functionality of the siloxane-containing monomers on the adhesive photopolymerization, water sorption, and mechanical properties. Two siloxane-methacrylate monomers (SM1 and SM2) with four and eight methacrylate groups were synthesized. Dentin adhesives containing BisGMA, HEMA and the siloxane-methacrylate monomers were photo-polymerized. The experimental adhesives were compared with the control adhesive (HEMA/BisGMA, 45/55, w/w) and characterized with regard to degree of conversion (DC), water miscibility of the liquid resin, water sorption and dynamic mechanical analysis (DMA). The experimental adhesives exhibited improved water miscibility as compared to the control. When cured in the presence of 12 wt% water to simulate the wet environment of the mouth, the SM-containing adhesives showed DC comparable to the control. The experimental adhesives showed higher rubbery modulus than the control under dry conditions. Under wet conditions, the mechanical properties of the formulations containing SM monomer with increased functionality were comparable with the control, even with more water sorption. The concentration and functionality of the newly synthesized siloxane-methacrylate monomers affected the water miscibility, water sorption and mechanical properties of the adhesives. The experimental adhesives show improved water compatibility compared with the control. The mechanical properties were enhanced with an increase of the functionality of the siloxane-containing monomers. The results provide critical structure/property relationships and important information for future development of durable, versatile siloxane-containing dentin adhesives. Published by Elsevier Ltd.

Improvement of Technological Properties of a Vegetal Tanning Agent in Gas Discharge Plasma

NASA Astrophysics Data System (ADS)

Khairullin, A. K.; Voznesensky, E. F.; Rakhmatullina, G. R.; Sabirov, A. M.; Tikhonova, N. V.

2017-11-01

The article considers the possibility of modification of the vegetal tanning agent quebracho in the plasma of a radio-frequency induction discharge at low pressure. It is established that plasma treatment leads to a decrease in the size of colloid fractions and a decrease in the molecular weight, while the functionality of the vegetal tanning agent is preserved. Application of the obtained product in the process of leather retanning allows improving its physical, mechanical and consumer properties.

Simplified curve fits for the thermodynamic properties of equilibrium air

NASA Technical Reports Server (NTRS)

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

1987-01-01

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

Plasma modification of starch.

PubMed

Zhu, Fan

2017-10-01

Plasma is a medium of unbound negative and positive particles with the overall electrical charge being roughly zero. Non-thermal plasma processing is an emerging green technology with great potential to improve the quality and microbial safety of various food materials. Starch is a major component of many food products and is an important ingredient for food and other industries. There has been increasing interest in utilizing plasma to modify the functionalities of starch through interactions with reactive species. This mini-review summarises the impact of plasma on composition, chemical and granular structures, physicochemical properties, and uses of starch. Structure-function relationships of starch components as affected by plasma modifications are discussed. Effect of plasma on the properties of wheat flour, which is a typical example of starch based complex food systems, is also reviewed. Future research directions on how to better utilise plasma to improve the functionalities of starch are suggested. Copyright © 2017 Elsevier Ltd. All rights reserved.

Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl

NASA Astrophysics Data System (ADS)

Marcondes, Michel L.; Wentzcovitch, Renata M.; Assali, Lucy V. C.

2018-05-01

Thermal equations of state (EOS) are essential in several scientific domains. However, experimental determination of EOS parameters may be limited at extreme conditions, therefore, ab initio calculations have become an important method to obtain them. Density functional theory (DFT) and its extensions with various degrees of approximations for the exchange and correlation (XC) energy is the method of choice, but large errors in the EOS parameters are still common. The alkali halides have been problematic from the onset of this field and the quest for appropriate DFT functionals for such ionic and relatively weakly bonded systems has remained an active topic of research. Here we use DFT + van der Waals functionals to calculate vibrational properties, thermal EOS, thermodynamic properties, and the B1 to B2 phase boundary of NaCl with high precision. Our results reveal a remarkable improvement over the performance of standard local density approximation and generalized gradient approximation functionals for all these properties and phase transition boundary, as well as great sensitivity of anharmonic effects on the choice of XC functional.

Sensitive skin at menopause; dew point and electrometric properties of the stratum corneum.

PubMed

Paquet, F; Piérard-Franchimont, C; Fumal, I; Goffin, V; Paye, M; Piérard, G E

1998-01-12

A number of menopausal women experience skin sensitive to various environmental threats. Two panels of 15 menopausal women on or without HRT were compared. We studied the response of their stratum corneum to variations in environmental humidity, either in air or in response to an emollient. Environment dew point and electrometric measurements on the skin were recorded to search for correlations. Data show that the baseline stratum corneum hydration is influenced by the dew point. HRT improves the barrier function of the skin. The use of emollient further extends the improvement in the functional properties of skin in menopausal women. Both HRT and an emollient can counteract in part some of the deleterious effects of cold and dry weather.

Spring cleaning: rural water impacts, valuation, and property rights institutions.

PubMed

Kremer, Michael; Leino, Jessica; Miguel, Edward; Zwane, Alix Peterson

2011-01-01

Using a randomized evaluation in Kenya, we measure health impacts of spring protection, an investment that improves source water quality. We also estimate households' valuation of spring protection and simulate the welfare impacts of alternatives to the current system of common property rights in water, which limits incentives for private investment. Spring infrastructure investments reduce fecal contamination by 66%, but household water quality improves less, due to recontamination. Child diarrhea falls by one quarter. Travel-cost based revealed preference estimates of households' valuations are much smaller than both stated preference valuations and health planners' valuations, and are consistent with models in which the demand for health is highly income elastic. We estimate that private property norms would generate little additional investment while imposing large static costs due to above-marginal-cost pricing, private property would function better at higher income levels or under water scarcity, and alternative institutions could yield Pareto improvements.

Potential and limitations of inferring ecosystem photosynthetic capacity from leaf functional traits

Treesearch

Talie Musavi; Mirco Migliavacca; Martine Janet van de Weg; Jens Kattge; Georg Wohlfahrt; Peter M. van Bodegom; Markus Reichstein; Michael Bahn; Arnaud Carrara; Tomas F. Domingues; Michael Gavazzi; Damiano Gianelle; Cristina Gimeno; André Granier; Carsten Gruening; Kateřina Havránková; Mathias Herbst; Charmaine Hrynkiw; Aram Kalhori; Thomas Kaminski; Katja Klumpp; Pasi Kolari; Bernard Longdoz; Stefano Minerbi; Leonardo Montagnani; Eddy Moors; Walter C. Oechel; Peter B. Reich; Shani Rohatyn; Alessandra Rossi; Eyal Rotenberg; Andrej Varlagin; Matthew Wilkinson; Christian Wirth; Miguel D. Mahecha

2016-01-01

The aim of this study was to systematically analyze the potential and limitations of using plant functional trait observations from global databases versus in situ data to improve our understanding of vegetation impacts on ecosystem functional properties (EFPs). Using ecosystem photosynthetic capacity as an example, we first provide an objective approach to derive...

Influence of hydrolysis behaviour and microfluidisation on the functionality and structural properties of collagen hydrolysates.

PubMed

Zhang, Yehui; Zhang, Yousheng; Liu, Xueming; Huang, Lihua; Chen, Zhiyi; Cheng, Jingrong

2017-07-15

The functionality and structural properties of pig skin hydrolysates with different degrees of hydrolysis (DH, 10% and 20%) and microfluidisation (120MPa), prepared by pepsin and Alcalase® have been investigated in this study. Extensive hydrolysis can significantly improve the absolute value of the zeta potential and surface hydrophobicity. The particle distribution of hydrolysates decreased with increasing DH. The numbers of free sulfhydryl (SH) and disulfide bonds (SS) were significantly increased with increasing DH (p<0.05). Hydrolysates with a lower DH showed a better emulsifying property than those with a higher DH. Microfluidisation led to the transformation of structural and interfacial properties of the hydrolysates and increased the value of the zeta potential, S 0 , and gel strength. Microfluidisation results in limited breakage of chemical bonds, the number of SS and SH bonds unchanged in the treatment. These results reflect the functionality and structural properties of collagen-rich pig skin hydrolysates. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effect of food processing on the physicochemical properties of dietary fibre.

PubMed

Ozyurt, Vasfiye Hazal; Ötles, Semih

2016-01-01

Products derived from the manufacturing or processing of plant based foods: cereals, fruits, vegetables, as well as algae, are sources of abundant dietary fibre. Diets high in dietary fibre have been associated with the reduced risk of cardiovascular disease, diabetes, hypertension, obesity, and gastrointestinal disorders. These fibre-rich products and byproducts can also fortify foods, increase their dietary fibre content and result in healthy products, low in calories, cholesterol and fat. Traditionally, consumers have chosen foods such as whole grains, fruits and vegetables as sources of dietary fibre. Recently, food manufacturers have responded to consumer demand for foods with a higher fibre content by developing products in which highfibre ingredients are used. Different food processing methods also increase the dietary fiber content of food. Moreover, its chemical and physical properties may be affected by food processing. Some of them might even improve the functionality of fibre. Therefore, they may also be applied as functional ingredients to improve physical properties like the physical and structural properties of hydration, oil-holding capacity, viscosity. This study was conducted to examine the effect of different food processing methods on the physicochemical properties of dietary fibre.

Improvement of the functional properties of nanostructured Ti-Ni shape memory alloys by means of thermomechanical processing

NASA Astrophysics Data System (ADS)

Kreitcberg, Alena

Severe plastic deformation (SPD) is commonly used for nanostructure formation in Ti-Ni shape memory alloys (SMAs), but it increases the risk of damage during processing and, consequently, negatively affects functional fatigue resistance of these materials. The principal objective of this project is, therefore, to study the interrelations between the processing conditions, damageability during processing, microstructure and the functional properties of Ti-Ni SMAs with the aim of improving long-term functional performances of these materials by optimizing their processing conditions. First, microstructure and fatigue properties of Ti-Ni SMAs were studied after thermomechanical treatment (TMT) with different combinations of severe cold and warm rolling (CR and WR), as well as intermediate and post-deformation annealing (IA and PDA) technological steps. It was shown that either when WR and IA were introduced into the TMT schedule, or CR intensity was decreased, the fatigue life was improved as a consequence of less processing-induced damage and higher density of the favorable B2-austenite texture. This improvement was reached, however, at a price of a lower multi-cycle functional stability of these materials, the latter being a direct consequence of the microstructure coarsening after higher-temperature lower-intensity processing. At the end of this study, however, it was not possible to distinguish between contributions to the functional performances of Ti-Ni SMAs from different processing-related features: a) grain/subgrain size; b) texture; and c) level of rolling-induced defects. To be capable of separating contributions to the functional properties of Ti-Ni alloys from grain/subgrain size and from texture, the theoretical crystallographic resource of recovery strain after different TMTs and, therefore, different textures, were calculated and compared with the experiment. The comparative analysis showed that the structural factors (grain/subgrain size) strongly dominate the texture contributions, and therefore, there is no real alternative to having nanocrystalline Ti-Ni alloys, if one needs to maximize the Ti-Ni alloys functional properties. Since the creation of such a microstructure requires the use of severe cold deformation techniques and neither of these techniques can be completely exempt from defects, it was deemed necessary to compare the damage tolerance of nanocrystalline Ti-Ni alloys to that of their nanosubgrained and mixed nanocrystalline/nanosubgrained counterparts. With this objective in mind, a detailed analysis of interrelations between the level of the CR/WR-induced damage (edge microcrack size and concentration) and the fatigue life of Ti- Ni SMAs was carried out. It was shown that nanocrystalline structure provides higher tolerance to small-crack propagation than nanosubgrained or mixed nanocrystalline/ nanosubgrained structures, and that low-temperature deformability of these alloys has to be improved to benefit from the property-enhancement potential of nanocrystalline structure. To broaden our knowledge in the field of Ti-Ni alloy deformability, the strain-rate sensitivity of these alloys was studied. Different microstructures, varying from the coarse- to ultrafinegrained, were created by means of equal-channel angular pressing (ECAP) and subjected to strain-rate sensitivity testing. As a result, the material with ultrafine-grained microstructure demonstrated an improved deformability as compared to the coarse-grained structure, at any deformation temperature. Moreover, it was determined that the smaller the grain size, the lower the temperature and the higher the strain-rate at which superplasticity occurs. Based on the results obtained, combined thermomechanical processing (ECAP at elevated temperatures followed by CR) was proposed and validated in terms of structural refinement with reduced level of processing-induced defects. Scientific contributions. This thesis contributes to the advancement of knowledge in the field of Ti-Ni SMAs' processing-structure-properties interactions, and the main conclusions of this study can be summed-up as follows: • Nanocrystalline Ti-Ni alloys significantly outperform nanosubgrain Ti-Ni alloys in terms of the absolute values and stability of their single- and multiple-cycle functional properties (superelasticity and shape memory characteristics). The main factor limiting the number of cycles to failure of the nanocrystalline alloys is the processingrelated damage. • The structure of Ti-Ni alloys plays significantly higher role in the realization of their functional potential that does their texture. • In terms of fatigue life, the nanocrystalline structure has lower small-crack sensitivity than does the nanosubgrained structure. • Grain refinement makes it possible to improve deformability of Ti-Ni alloys at any temperature. • To produce nanocrystalline Ti-Ni SMAs free of processing-induced-defects, a novel three-step processing is proposed (ECAP+CR+PDA): grain-refining severe plastic deformation at elevated temperatures (ECAP), followed-up by amorphizing SPD at low temperatures (CR), and ended-up by nanocrystallizing post-deformation heat treatment (PDA).

Surface modification of carbon nanotubes using 3-aminopropyltriethoxysilane to improve mechanical properties of nanocomposite based polymer matrix: Experimental and Density functional theory study

NASA Astrophysics Data System (ADS)

Hamed Mashhadzadeh, A.; Fereidoon, Ab.; Ghorbanzadeh Ahangari, M.

2017-10-01

In current study we combined theoretical and experimental studies to evaluate the effect of functionalization and silanization on mechanical behavior of polymer-based/CNT nanocomposites. Epoxy was selected as thermoset polymer, polypropylene and poly vinyl chloride were selected as thermoplastic polymers. The whole procedure is divided to two sections . At first we applied density functional theory (DFT) to analyze the effect of functionalization on equilibrium distance and adsorption energy of unmodified, functionalized by sbnd OH group and silanized epoxy/CNT, PP/CNT and PVC/CNT nanocomposites and the results showed that functionalization increased adsorption energy and reduced the equilibrium distance in all studied nanocomposites and silanization had higher effect comparing to OH functionalizing. Then we prepared experimental samples of all mentioned nanocomposites and tested their tensile and flexural strength properties. The obtained results showed that functionalization increased the studied mechanical properties in all evaluated nanocomposites. Finally we compared the results of experimental and theoretical sections with each other and estimated a suitable agreement between these parts.

The basis function approach for modeling autocorrelation in ecological data.

PubMed

Hefley, Trevor J; Broms, Kristin M; Brost, Brian M; Buderman, Frances E; Kay, Shannon L; Scharf, Henry R; Tipton, John R; Williams, Perry J; Hooten, Mevin B

2017-03-01

Analyzing ecological data often requires modeling the autocorrelation created by spatial and temporal processes. Many seemingly disparate statistical methods used to account for autocorrelation can be expressed as regression models that include basis functions. Basis functions also enable ecologists to modify a wide range of existing ecological models in order to account for autocorrelation, which can improve inference and predictive accuracy. Furthermore, understanding the properties of basis functions is essential for evaluating the fit of spatial or time-series models, detecting a hidden form of collinearity, and analyzing large data sets. We present important concepts and properties related to basis functions and illustrate several tools and techniques ecologists can use when modeling autocorrelation in ecological data. © 2016 by the Ecological Society of America.

Effect of gamma irradiation on ethylene propylene diene terpolymer rubber composites

NASA Astrophysics Data System (ADS)

Abou Zeid, M. M.; Rabie, S. T.; Nada, A. A.; Khalil, A. M.; Hilal, R. H.

2008-01-01

Composites of ethylene propylene dine terpolymer rubber (EPDM), high density polyethylene (HDPE) and ground tire rubber powder (GTR) at different ratios were subjected to gamma irradiation at various doses up to 250 kGy. The physical, mechanical and thermal properties were investigated as a function of irradiation dose and blend composition. Gamma irradiation led to a significant improvement in the properties for all blend compositions. The results indicate that the improvement in properties is inversely proportional to the substituted ratio of GTR, attributed to the development of an interfacial adhesion between GTR and blend components. The results were confirmed by examining the fracture surfaces by scanning electron microscopy.

Mineralized agar-based nanocomposite films: Potential food packaging materials with antimicrobial properties.

PubMed

Malagurski, Ivana; Levic, Steva; Nesic, Aleksandra; Mitric, Miodrag; Pavlovic, Vladimir; Dimitrijevic-Brankovic, Suzana

2017-11-01

New mineralized, agar-based nanocomposite films (Zn-carbonate and Zn-phosphate/agar) were produced by a combination of in situ precipitation and a casting method. The presence of minerals significantly influenced the morphology, properties and functionality of the obtained nanocomposites. Reinforcement with the Zn-mineral phase improved the mechanical properties of the carbonate-mineralized films, but had a negligible effect on the phosphate-mineralized samples. Both nanocomposites showed improved optical and thermal properties, better Zn(II) release potential in a slightly acidic environment and exhibited antimicrobial activity against S. aureus. These results suggest that Zn-mineralized agar nanocomposite films could be potentially used as affordable, eco-friendly and active food packaging materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effects of curcumin on HDL functionality.

PubMed

Ganjali, Shiva; Blesso, Christopher N; Banach, Maciej; Pirro, Matteo; Majeed, Muhammed; Sahebkar, Amirhossein

2017-05-01

Curcumin, a bioactive polyphenol, is a yellow pigment of the Curcuma longa (turmeric) plant. Curcumin has many pharmacologic effects including antioxidant, anti-carcinogenic, anti-obesity, anti-angiogenic and anti-inflammatory properties. Recently, it has been found that curcumin affects lipid metabolism, and subsequently, may alleviate hyperlipidemia and atherosclerosis. Plasma HDL cholesterol (HDL-C) is an independent negative risk predictor of cardiovascular disease (CVD). However, numerous clinical and genetic studies have yielded disappointing results about the therapeutic benefit of raising plasma HDL-C levels. Therefore, research efforts are now focused on improving HDL functionality, independent of HDL-C levels. The quality of HDL particles can vary considerably due to heterogeneity in composition. Consistent with its complexity in composition and metabolism, a wide range of biological activities is reported for HDL, including antioxidant, anti-glycation, anti-inflammatory, anti-thrombotic, anti-apoptotic and immune modulatory activities. Protective properties of curcumin may influence HDL functionality; therefore, we reviewed the literature to determine whether curcumin can augment HDL function. In this review, we concluded that curcumin may modulate markers of HDL function, such as apo-AI, CETP, LCAT, PON1, MPO activities and levels. Curcumin may subsequently improve conditions in which HDL is dysfunctional and may have potential as a therapeutic drug in future. Further clinical trials with bioavailability-improved formulations of curcumin are warranted to examine its effects on lipid metabolism and HDL function. Copyright © 2017 Elsevier Ltd. All rights reserved.

Manipulating dispersion and distribution of graphene in PLA through Novel Interface Engineering for improved conductive properties

USDA-ARS?s Scientific Manuscript database

This study aimed to enhance the conductive properties of PLA nanocomposite by controlling the dispersion and distribution of graphene within the minor phase of the polymer blend. Functionalized graphene (f-GO) was achieved by reacting graphene oxide (GO) with various silanes under the aid of an ioni...

Manipulating dispersion and distribution of graphene in PLA through novel interface engineering for improved conductive properties

USDA-ARS?s Scientific Manuscript database

This study aimed to enhance the conductive properties of PLA nanocomposite by controlling the dispersion and distribution of graphene within the minor phase of the polymer blend. Functionalized graphene (f-GO) was achieved by reacting graphene oxide (GO) with various silanes under the aid of an ioni...

Synthesis and characterization of new nanocomposites films using alanine-Cu-functionalized graphene oxide as nanofiller and PVA as polymeric matrix for improving of their properties

NASA Astrophysics Data System (ADS)

Abdolmaleki, Amir; Mallakpour, Shadpour; Karshenas, Azam

2017-09-01

In the synthesis of polymer-graphene nanocomposites, for improving properties of nanocomposites, two factors dispersion and strong interfacial interactions between graphene and the polymer, are essential. In the present work, poly(vinyl alcohol) PVA/GO-Cu-alanine nanocomposite films were manufactured using concentrations 0, 1, 3 and 5 wt% of GO-Cu-alanine in water solution. For this purpose, L-alanine amino acid was located on the surface and edges of GO through copper(II) ion as a coordinating function. Then, flexible PVA/GO-Cu-alanine nanocomposite films were fabricated using GO-Cu-alanine as filler and PVA as matrix. Due to the existence of affective interaction between GO-Cu-alanine and PVA matrix, the acquired PVA/GO-Cu-alanine nanocomposites demonstrated great thermal and mechanical properties. Properties of manufactured materials were characterized by Fourier transform infrared, X-ray photoelectron spectroscopies (XPS), X-ray diffraction (XRD), Thermal gravimetric analysis, elemental analysis, field emission scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectroscopy (EDX).

Improving physical properties via C-H oxidation: chemical and enzymatic approaches.

PubMed

Michaudel, Quentin; Journot, Guillaume; Regueiro-Ren, Alicia; Goswami, Animesh; Guo, Zhiwei; Tully, Thomas P; Zou, Lufeng; Ramabhadran, Raghunath O; Houk, Kendall N; Baran, Phil S

2014-11-03

Physicochemical properties constitute a key factor for the success of a drug candidate. Whereas many strategies to improve the physicochemical properties of small heterocycle-type leads exist, complex hydrocarbon skeletons are more challenging to derivatize because of the absence of functional groups. A variety of C-H oxidation methods have been explored on the betulin skeleton to improve the solubility of this very bioactive, yet poorly water-soluble, natural product. Capitalizing on the innate reactivity of the molecule, as well as the few molecular handles present on the core, allowed oxidations at different positions across the pentacyclic structure. Enzymatic oxidations afforded several orthogonal oxidations to chemical methods. Solubility measurements showed an enhancement for many of the synthesized compounds. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study on the effect of polymeric rheology modifier on the rheological properties of oil-based drilling fluids

NASA Astrophysics Data System (ADS)

Ma, C.; Li, L.; Yang, Y. P.; Hao, W. W.; Zhang, Q.; Lv, J.

2018-01-01

A new type of polymeric rheology modifier was synthesized by suspension polymerization, and the effect of rheology modifier on the rheological properties of oil-based drilling fluids was investigated. The results indicated that the obtained polymer had good capacity of improvement of shearing force of oil-based drilling fluids under high temperature and high pressure conditions. Moreover, the obtained polymer can improve the stability of oil-based drilling fluids greatly. As a result, the obtained polymer is a good rheology modifier for oil-based drilling fluids, and it can optimize oil-based drilling fluid system with good rheological properties, good static suspension ability for cuttings and environmental protection function. It can play an essential role in safe drilling jobs and improvement of drilling efficiency.

Effect of dynamic high pressure on technological properties of cashew tree gum (Anacardium occidentale L.).

PubMed

Porto, Bruna Castro; Augusto, Pedro E D; Terekhov, Anton; Hamaker, Bruce R; Cristianini, Marcelo

2015-09-20

Dynamic high pressure (DHP) appears to be an alternative approach to physical modification of polysaccharides aimed improving their technological properties. Therefore, its effect on the functional properties of polysaccharides (i.e., oil absorption capacity, emulsifier, and rheology) needs to be investigated. Cashew tree gum (CG) is a biological macromolecule that has been proposed to be used as an emulsifier in beverage emulsions. To the best of our knowledge, none of the articles in the literature investigates the effect of DHP on the CG properties. This work presents a study on the evaluation of the effects of DHP on functional characteristics of CG, including rheological properties, molecular weight, glycosyl-linkage analysis, solubility, swelling and oil absorption capacity (OAC). The results suggest that DHP is able to modify the technological properties of cashew tree gum (increasing solubility and decreasing apparent viscosity). Copyright © 2015 Elsevier Ltd. All rights reserved.

Functionalized mesoporous materials for adsorption and release of different drug molecules: A comparative study

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

Wang Gang; Otuonye, Amy N.; Blair, Elizabeth A.

2009-07-15

The adsorption capacity and release properties of mesoporous materials for drug molecules can be improved by functionalizing their surfaces with judiciously chosen organic groups. Functionalized ordered mesoporous materials containing various types of organic groups via a co-condensation synthetic method from 15% organosilane and by post-grafting organosilanes onto a pre-made mesoporous silica were synthesized. Comparative studies of their adsorption and release properties for various model drug molecules were then conducted. Functional groups including 3-aminopropyl, 3-mercaptopropyl, vinyl, and secondary amine groups were used to functionalize the mesoporous materials while rhodamine 6G and ibuprofen were utilized to investigate the materials' relative adsorption andmore » release properties. The self-assembly of the mesoporous materials was carried out in the presence of cetyltrimethylammonium bromide (CTAB) surfactant, which produced MCM-41 type materials with pore diameters of {approx}2.7-3.3 nm and moderate to high surface areas up to {approx}1000 m{sup 2}/g. The different functional groups introduced into the materials dictated their adsorption capacity and release properties. While mercaptopropyl and vinyl functionalized samples showed high adsorption capacity for rhodamine 6G, amine functionalized samples exhibited higher adsorption capacity for ibuprofen. While the diffusional release of ibuprofen was fitted on the Fickian diffusion model, the release of rhodamine 6G followed Super Case-II transport model. - Graphical abstract: The adsorption capacity and release properties of mesoporous materials for various drug molecules are tuned by functionalizing the surfaces of the materials with judiciously chosen organic groups. This work reports comparative studies of the adsorption and release properties of functionalized ordered mesoporous materials containing different hydrophobic and hydrophilic groups that are synthesized via a co-condensation and post-grafting methods for various model drug molecules.« less

Effect of chelators on functionality of milk protein concentrates obtained by ultrafiltration at a constant pH and temperature.

PubMed

Ramchandran, Lata; Luo, XiaoXia; Vasiljevic, Todor

2017-11-01

Modulating conditions during ultrafiltration of skim milk appears to be a feasible strategy to obtain milk protein concentrates (MPC) with tailored functionalities. Adjustment of pH and process temperature attenuated properties of casein micelle resulting in enhanced emulsification capacity. Additional pre-treatment options such as addition of calcium chelators can further impact on the functionality of MPC by modifying the calcium distribution and casein micelle integrity. The objective of the project was to establish effects of pre-treating skim milk with calcium chelators (EDTA or citrate) in concentrations between 10 to 30 mm prior to UF on the physical properties of the feed, corresponding retentates and dried MPC, including particle size, zeta potential and calcium distribution in skim milk and the corresponding retentates, as well as the physical functionalities such as solubility, heat stability and emulsifying properties. Addition of calcium chelators (EDTA or citrate), at levels 20-30 mm concentrations reduced casein micelle size as well as total, soluble and ionic calcium contents that resulted in MPC with enhanced solubility and heat stability. The emulsion capacity was, however, improved only with EDTA at 10 mm concentration. The enhanced functionality is attributed to the reduced particle size resulting from the removal of calcium from the retentate that could modify micellar casein to an extent sufficient to cause such improvements.

Quantum Monte Carlo Simulations of the Quartz to Stishovite Transition in SiO2

NASA Astrophysics Data System (ADS)

Cohen, R. E.; Towler, Mike; Lopez Rios, Pablo; Drummond, Neil; Needs, Richard

2007-03-01

The quartz-stishovite transition has been a long standing problem for density functional theory (DFT). Although conventional DFT computations within the local density approximation (LDA) give reasonably good properties of silica phases individually, they do not give the energy difference between quartz and stishovite accurately. The LDA gives stishovite as a lower energy structure than quartz at zero pressure, which is incorrect. The generalized gradient approximation (GGA) has been shown to give the correct energy difference between quartz and stishovite (about 0.5 eV/formula unit) (Hamann, PRL 76, 660, 1996; Zupan et al., PRB 58, 11266, 1998), and it was generally thought that the GGA was simply a better approximation than the LDA. However, closer inspection shows that other properties are not better for the GGA than the LDA, so there is room for improvement. A new density functional that is an improvement for most materials unfortunately does not improve the quartz-stishovite transition (Wu and Cohen, PRB 73, 235116, 2006). We are performing QMC computations using the CASINO code to obtain the accurate energy difference between quartz and stishovite to obtain more accurate high pressure properties, and to better understand the errors on DFT and how DFT can be improved.

Empirical Relationships Between Optical Properties and Equivalent Diameters of Fractal Soot Aggregates at 550 Nm Wavelength.

NASA Technical Reports Server (NTRS)

Pandey, Apoorva; Chakrabarty, Rajan K.; Liu, Li; Mishchenko, Michael I.

2015-01-01

Soot aggregates (SAs)-fractal clusters of small, spherical carbonaceous monomers-modulate the incoming visible solar radiation and contribute significantly to climate forcing. Experimentalists and climate modelers typically assume a spherical morphology for SAs when computing their optical properties, causing significant errors. Here, we calculate the optical properties of freshly-generated (fractal dimension Df = 1.8) and aged (Df = 2.6) SAs at 550 nm wavelength using the numericallyexact superposition T-Matrix method. These properties were expressed as functions of equivalent aerosol diameters as measured by contemporary aerosol instruments. This work improves upon previous efforts wherein SA optical properties were computed as a function of monomer number, rendering them unusable in practical applications. Future research will address the sensitivity of variation in refractive index, fractal prefactor, and monomer overlap of SAs on the reported empirical relationships.

Enhanced protective role in materials with gradient structural orientations: Lessons from Nature.

PubMed

Liu, Zengqian; Zhu, Yankun; Jiao, Da; Weng, Zhaoyong; Zhang, Zhefeng; Ritchie, Robert O

2016-10-15

Living organisms are adept at resisting contact deformation and damage by assembling protective surfaces with spatially varied mechanical properties, i.e., by creating functionally graded materials. Such gradients, together with multiple length-scale hierarchical structures, represent the two prime characteristics of many biological materials to be translated into engineering design. Here, we examine one design motif from a variety of biological tissues and materials where site-specific mechanical properties are generated for enhanced protection by adopting gradients in structural orientation over multiple length-scales, without manipulation of composition or microstructural dimension. Quantitative correlations are established between the structural orientations and local mechanical properties, such as stiffness, strength and fracture resistance; based on such gradients, the underlying mechanisms for the enhanced protective role of these materials are clarified. Theoretical analysis is presented and corroborated through numerical simulations of the indentation behavior of composites with distinct orientations. The design strategy of such bioinspired gradients is outlined in terms of the geometry of constituents. This study may offer a feasible approach towards generating functionally graded mechanical properties in synthetic materials for improved contact damage resistance. Living organisms are adept at resisting contact damage by assembling protective surfaces with spatially varied mechanical properties, i.e., by creating functionally-graded materials. Such gradients, together with multiple length-scale hierarchical structures, represent the prime characteristics of many biological materials. Here, we examine one design motif from a variety of biological tissues where site-specific mechanical properties are generated for enhanced protection by adopting gradients in structural orientation at multiple length-scales, without changes in composition or microstructural dimension. The design strategy of such bioinspired gradients is outlined in terms of the geometry of constituents. This study may offer a feasible approach towards generating functionally-graded mechanical properties in synthetic materials for improved damage resistance. Published by Elsevier Ltd.

Contribution of High-Pressure-Induced Protein Modifications to the Microenvironment and Functional Properties of Rabbit Meat Sausages.

PubMed

Xue, Siwen; Yu, Xiaobo; Yang, Huijuan; Xu, Xinglian; Ma, Hanjun; Zhou, Guanghong

2017-06-01

Rabbit meat batters were subjected to high pressure (HP, 100 to 300 MPa for 3, 9, or 15 min) to elucidate their effects on proteins structures, the microenvironment, and the resulting functionalities of the subsequently heated products. To determine these effects, we investigated structural and microenvironmental changes using Raman spectroscopy and also expressible moisture content, textural characteristics, and dynamic rheological properties of batters during heating (20 to 80 °C). Untreated samples served as controls. Analysis of specific Raman spectral regions demonstrated that applications of HP to rabbit meat batters tended to induce the transformation of the all-gauche S-S conformation to gauche-gauche-trans in the batter system. HP treatment higher than 100 MPa for 9 min promoted secondary structural rearrangements, and molecular polarity enhancement in the proteins prior to cooking. Also, increases of O-H stretching intensities of rabbit meat sausages were obtained by HP treatment, denoting the strengthening of water-holding capacity. These HP-induced alterations resulted in improved texture and, perhaps, improved juiciness of rabbit meat sausages (P < 0.05), however they had relatively poorer rheological properties than the controls. Nevertheless, HP treatment, especially 200 MPa for 9 or 15 min, was an effective technique for improving the functionalities of gel-type products through modification of meat proteins. © 2017 Institute of Food Technologists®.

Supplementation of exogenous adenosine 5'-triphosphate enhances mechanical properties of 3D cell-agarose constructs for cartilage tissue engineering.

PubMed

Gadjanski, Ivana; Yodmuang, Supansa; Spiller, Kara; Bhumiratana, Sarindr; Vunjak-Novakovic, Gordana

2013-10-01

Formation of tissue-engineered cartilage is greatly enhanced by mechanical stimulation. However, direct mechanical stimulation is not always a suitable method, and the utilization of mechanisms underlying mechanotransduction might allow for a highly effective and less aggressive alternate means of stimulation. In particular, the purinergic, adenosine 5'-triphosphate (ATP)-mediated signaling pathway is strongly implicated in mechanotransduction within the articular cartilage. We investigated the effects of transient and continuous exogenous ATP supplementation on mechanical properties of cartilaginous constructs engineered using bovine chondrocytes and human mesenchymal stem cells (hMSCs) encapsulated in an agarose hydrogel. For both cell types, we have observed significant increases in equilibrium and dynamic compressive moduli after transient ATP treatment applied in the fourth week of cultivation. Continuous ATP treatment over 4 weeks of culture only slightly improved the mechanical properties of the constructs, without major changes in the total glycosaminoglycan (GAG) and collagen content. Structure-function analyses showed that transiently ATP-treated constructs, and in particular those based on hMSCs, had the highest level of correlation between compositional and mechanical properties. Transiently treated groups showed intense staining of the territorial matrix for GAGs and collagen type II. These results indicate that transient ATP treatment can improve functional mechanical properties of cartilaginous constructs based on chondrogenic cells and agarose hydrogels, possibly by improving the structural organization of the bulk phase and territorial extracellular matrix (ECM), that is, by increasing correlation slopes between the content of the ECM components (GAG, collagen) and mechanical properties of the construct.

Lattice-patterned LC-polymer composites containing various nanoparticles as additives

PubMed Central

2012-01-01

In this study, we show the effect of various nanoparticle additives on phase separation behavior of a lattice-patterned liquid crystal [LC]-polymer composite system and on interfacial properties between the LC and polymer. Lattice-patterned LC-polymer composites were fabricated by exposing to UV light a mixture of a prepolymer, an LC, and SiO2 nanoparticles positioned under a patterned photomask. This resulted in the formation of an LC and prepolymer region through phase separation. We found that the incorporation of SiO2 nanoparticles significantly affected the electro-optical properties of the lattice-patterned LC-polymer composites. This effect is a fundamental characteristic of flexible displays. The electro-optical properties depend on the size and surface functional groups of the SiO2 nanoparticles. Compared with untreated pristine SiO2 nanoparticles, which adversely affect the performance of LC molecules surrounded by polymer walls, SiO2 nanoparticles with surface functional groups were found to improve the electro-optical properties of the lattice-patterned LC-polymer composites by increasing the quantity of SiO2 nanoparticles. The surface functional groups of the SiO2 nanoparticles were closely related to the distribution of SiO2 nanoparticles in the LC-polymer composites, and they influenced the electro-optical properties of the LC molecules. It is clear from our work that the introduction of nanoparticles into a lattice-patterned LC-polymer composite provides a method for controlling and improving the composite's electro-optical properties. This technique can be used to produce flexible substrates for various flexible electronic devices. PMID:22222011

Using a Taxonomy of Differential Step Functioning to Improve the Interpretation of DIF in Polytomous Items: An Illustration

ERIC Educational Resources Information Center

Penfield, Randall D.; Alvarez, Karina; Lee, Okhee

2009-01-01

The assessment of differential item functioning (DIF) in polytomous items addresses between-group differences in measurement properties at the item level, but typically does not inform which score levels may be involved in the DIF effect. The framework of differential step functioning (DSF) addresses this issue by examining between-group…

Making Better Scar: Emerging Approaches for Modifying Mechanical and Electrical Properties Following Infarction and Ablation

PubMed Central

Holmes, Jeffrey W.; Laksman, Zachary; Gepstein, Lior

2015-01-01

Following myocardial infarction (MI), damaged myocytes are replaced by collagenous scar tissue, which serves an important mechanical function – maintaining integrity of the heart wall against enormous mechanical forces – but also disrupts electrical function as structural and electrical remodeling in the infarct and borderzone predispose to re-entry and ventricular tachycardia. Novel emerging regenerative approaches aim to replace this scar tissue with viable myocytes. Yet an alternative strategy of therapeutically modifying selected scar properties may also prove important, and in some cases may offer similar benefits with lower risk or regulatory complexity. Here, we review potential goals for such modifications as well as recent proof-of-concept studies employing specific modifications, including gene therapy to locally increase conduction velocity or prolong the refractory period in and around the infarct scar, and modification of scar anisotropy to improve regional mechanics and pump function. Another advantage of scar modification techniques is that they have applications well beyond MI. In particular, ablation treats electrical abnormalities of the heart by intentionally generating scar to block aberrant conduction pathways. Yet in diseases such as atrial fibrillation (AF) where ablation can be extensive, treating the electrical disorder can significantly impair mechanical function. Creating smaller, denser scars that more effectively block conduction, and choosing the location of those lesions by balancing their electrical and mechanical impacts, could significantly improve outcomes for AF patients. We review some recent advances in this area, including the use of computational models to predict the mechanical effects of specific lesion sets and gene therapy for functional ablation. Overall, emerging techniques for modifying scar properties represents a potentially important important set of tools for improving patient outcomes across a range of heart diseases, whether used in place of or as an adjunct to regenerative approaches. PMID:26615948

Functionalized nanoporous silicas for the immobilization of penicillin acylase

NASA Astrophysics Data System (ADS)

Maria Chong, A. S.; Zhao, X. S.

2004-10-01

Nanoporous silica materials with uniform pore size and ordered structure have drawn growing interest of researchers since 1990s. A large-pore nanoporous material, SBA-15, was functionalized with organosilanes by co-condensation method in the presence of nonionic triblock copolymer P123 as a template under acidic conditions. The functionalization was demonstrated by using five organosilanes, namely 3-aminopropyltriethoxysilane (APTES), 3-mercaptopropyltrimethoxysilane (MPTMS), phenyltrimethoxysilane (PTMS), vinyltriethoxysilane (VTES), and 4-(triethoxysilyl)butyronitrile (TSBN), which modified the surface properties of the silica materials, enabling the materials to be a promising support for immobilization of biological molecules. The functionalized SBA-15 materials exhibited long-range ordering of two-dimensional hexagonal pore arrays of size ranging from 66 to 90 Å as demonstrated by small-angle X-ray scattering (SAXS), transmission electron microscopy (TEM), and physical adsorption techniques. A variety of organosilane density in the range of 0.5-2.6 mmol/g was achieved as revealed by elemental analysis and solid-state nuclear magnetic resonance (NMR) techniques. The functionalized materials displayed improved properties for immobilization of penicillin acylase (PA) in comparison with pure-silica SBA-15. Such improvement is believed to be due to the enhanced surface hydrophobicity and electrostatic interactions of the functional groups with the enzyme.

Nitric oxide-donating statin improves multiple functions of circulating angiogenic cells

PubMed Central

Mangialardi, G; Monopoli, A; Ongini, E; Spinetti, G; Fortunato, O; Emanueli, C; Madeddu, P

2011-01-01

BACKGROUND AND PURPOSE Statins, a major component of the prevention of cardiovascular disease, aid progenitor cell functions in vivo and in vitro. Statins bearing a NO-releasing moiety were developed for their enhanced anti-inflammatory/anti-thrombotic properties. Here, we investigated if the NO-donating atorvastatin (NCX 547) improved the functions of circulating angiogenic cells (CACs). EXPERIMENTAL APPROACH Circulating angiogenic cells (CACs) were prepared from peripheral blood monocytes of healthy volunteers and type-2 diabetic patients and were cultured in low (LG) or high glucose (HG) conditions, in presence of atorvastatin or NCX 547 (both at 0.1 µM) or vehicle. Functional assays (outgrowth, proliferation, viability, senescence and apoptosis) were performed in presence of the endothelial NOS inhibitor L-NIO, the NO scavenger c-PTIO or vehicle. KEY RESULTS Culturing in HG conditions lowered NO in CACs, inhibited outgrowth, proliferation, viability and migration, and induced cell senescence and apoptosis. NCX 547 fully restored NO levels and functions of HG-cultured CACs, while atorvastatin prevented only apoptosis in CACs. The activity of Akt, a pro-survival kinase, was increased by atorvastatin in LG-cultured but not in HG-cultured CACs, whereas NCX 547 increased Akt activity in both conditions. L-NIO partially blunted and c-PTIO prevented NCX 547-induced improvements in CAC functions. Finally, NCX 547 improved outgrowth and migration of CACs prepared from patients with type 2 diabetes. CONCLUSIONS AND IMPLICATIONS NCX 547 was more effective than atorvastatin in preserving functions of CACs. This property adds to the spectrum of favourable actions that would make NO-releasing statins more effective agents for treating cardiovascular disease. PMID:21486281

Telmisartan enhances mitochondrial activity and alters cellular functions in human coronary artery endothelial cells via AMP-activated protein kinase pathway.

PubMed

Kurokawa, Hirofumi; Sugiyama, Seigo; Nozaki, Toshimitsu; Sugamura, Koichi; Toyama, Kensuke; Matsubara, Junichi; Fujisue, Koichiro; Ohba, Keisuke; Maeda, Hirofumi; Konishi, Masaaki; Akiyama, Eiichi; Sumida, Hitoshi; Izumiya, Yasuhiro; Yasuda, Osamu; Kim-Mitsuyama, Shokei; Ogawa, Hisao

2015-04-01

Mitochondrial dysfunction plays an important role in cellular senescence and impaired function of vascular endothelium, resulted in cardiovascular diseases. Telmisartan is a unique angiotensin II type I receptor blocker that has been shown to prevent cardiovascular events in high risk patients. AMP-activated protein kinase (AMPK) plays a critical role in mitochondrial biogenesis and endothelial function. This study assessed whether telmisartan enhances mitochondrial function and alters cellular functions via AMPK in human coronary artery endothelial cells (HCAECs). In cultured HCAECs, telmisartan significantly enhanced mitochondrial activity assessed by mitochondrial reductase activity and intracellular ATP production and increased the expression of mitochondria related genes. Telmisartan prevented cellular senescence and exhibited the anti-apoptotic and pro-angiogenic properties. The expression of genes related anti-oxidant and pro-angiogenic properties were increased by telmisartan. Telmisartan increased endothelial NO synthase and AMPK phosphorylation. Peroxisome proliferator-activated receptor gamma signaling was not involved in telmisartan-induced improvement of mitochondrial function. All of these effects were abolished by inhibition of AMPK. Telmisartan enhanced mitochondrial activity and exhibited anti-senescence effects and improving endothelial function through AMPK in HCAECs. Telmisartan could provide beneficial effects on vascular diseases via enhancement of mitochondrial activity and modulating endothelial function through AMPK activation. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Isentropic calculation for thermodynamic properties of polarized liquid 3He by considering the effect of spin-dependent correlation function

NASA Astrophysics Data System (ADS)

Bordbar, G. H.; Hosseini, S.; Poostforush, A.

2017-05-01

Correlations in quantum fluids such as liquid 3He continue to be of high interest to scientists. Based on this prospect, the present work is devoted to study the effects of spin-spin correlation function on the thermodynamic properties of polarized liquid 3He such as pressure, velocity of sound, adiabatic index and adiabatic compressibility along different isentropic paths, using the Lennard-Jones potential and employing the variational approach based on cluster expansion of the energy functional. The inclusion of this correlation improves our previous calculations and leads to good agreements with experimental results.

Investigation of non-isocyanate urethane functional latexes and carbon nanofiller/epoxy coatings

NASA Astrophysics Data System (ADS)

Meng, Lei

This dissertation consists of two parts. In the first part, a new class of non-isocyanate urethane methacrylates was synthesized and the effect of the new monomers on the urethane functional latex was investigated. The second part focused on a comparison of carbon nanofillers in inorganic/organic epoxy coating system for anticorrosive applications. A new class of non-isocyanate urethane methacrylates (UMAs) monomers was synthesized through an environmentally friendly non-isocyanate pathway. The kinetics of seeded semibatch emulsion polymerization of UMAs with methyl methacrylate (MMA) and butyl acrylate (BA) was monitored. The particle size and morphology were investigated by dynamic light scattering (DLS), ultrasound acoustic attenuation spectroscopy (UAAS) and transmission electron microscopy (TEM). The minimum film formation temperature (MFFT), mechanical and viscoelastic properties were studied. It was found that the emulsion polymerization processes all proceeded via Smith-Ewart control, leading to the uniform morphology and particle size. The glass transition temperature (Tg) and the mechanical properties of poly(MMA/BA/UMA) decreased with the increasing chain length of urethane methacrylate monomers due to the increasing flexibility of side chains. Without the effect of Tg, lower MFFT and improved mechanical properties were observed from urethane functional latexes. The improved mechanical properties were due to the increasing particle interaction by forming hydrogen bonding. Furthermore, the effect of urethane functionality in terms of the polymer composition, the location and the concentration was investigated by the batch, single-stage and two-stage semibatch polymerization of 2-[(butylcarbamoyl)oxy]ethyl methacrylate (BEM) with MMA and BA. The core-shell and homogeneous structures were evaluated by TEM, differential scanning calorimetry (DSC), and solid state nuclear magnetic resonance (SS-NMR). The compositional drift was observed from the batch polymerization. The mechanical properties were improved with increasing urethane and the best was from the urethane in the shell due to higher concentration of urethane in the continuous phase. The inorganic/organic alkoxysilane modified epoxy coating system was formulated with carbon nanofillers, i.e. carbon black, mixture of carbon black and nanotubes, unpurified and purified non-fullerene carbon nanotubes and fullerene carbon nanotubes. Mechanical, thermal, electrical and anticorrosive properties of cured films were evaluated by tensile tests, DMTA, DSC, four-point probe method and electrochemical impedance spectroscopy (EIS), respectively. It was found that the most efficient material to enhance the electrical conductivity and anticorrosive properties of nanocomposite coating systems was fullerene CNTs.

Preliminary results of aerosols' optical properties studied with EPF measurements from the SPICAM/UV instrument

NASA Astrophysics Data System (ADS)

Willame, Y.; Vandaele, A.-C.; Depiesse, C.; Gillotay, D.; Kochenova, S.; Montmessin, F.

2011-10-01

Aerosols on Mars have an important impact on the radiative transfer properties of its atmosphere. Today their spectral properties and therefore their interaction with UV radiation are only poorly known. Improving the radiative transfer modeling requires a better knowledge of their characteristics, in particular of their phase function, single scattering albedo and opacity. We will show that such information can be accessed by using EPF observations.

Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data

NASA Astrophysics Data System (ADS)

White, Andrew D.; Knight, Chris; Hocky, Glen M.; Voth, Gregory A.

2017-01-01

Accounting for electrons and nuclei simultaneously is a powerful capability of ab initio molecular dynamics (AIMD). However, AIMD is often unable to accurately reproduce properties of systems such as water due to inaccuracies in the underlying electronic density functionals. This shortcoming is often addressed by added empirical corrections and/or increasing the simulation temperature. We present here a maximum-entropy approach to directly incorporate limited experimental data via a minimal bias. Biased AIMD simulations of water and an excess proton in water are shown to give significantly improved properties both for observables which were biased to match experimental data and for unbiased observables. This approach also yields new physical insight into inaccuracies in the underlying density functional theory as utilized in the unbiased AIMD.

Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data.

PubMed

White, Andrew D; Knight, Chris; Hocky, Glen M; Voth, Gregory A

2017-01-28

Accounting for electrons and nuclei simultaneously is a powerful capability of ab initio molecular dynamics (AIMD). However, AIMD is often unable to accurately reproduce properties of systems such as water due to inaccuracies in the underlying electronic density functionals. This shortcoming is often addressed by added empirical corrections and/or increasing the simulation temperature. We present here a maximum-entropy approach to directly incorporate limited experimental data via a minimal bias. Biased AIMD simulations of water and an excess proton in water are shown to give significantly improved properties both for observables which were biased to match experimental data and for unbiased observables. This approach also yields new physical insight into inaccuracies in the underlying density functional theory as utilized in the unbiased AIMD.

Advanced capabilities for materials modelling with Quantum ESPRESSO

NASA Astrophysics Data System (ADS)

Giannozzi, P.; Andreussi, O.; Brumme, T.; Bunau, O.; Buongiorno Nardelli, M.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Cococcioni, M.; Colonna, N.; Carnimeo, I.; Dal Corso, A.; de Gironcoli, S.; Delugas, P.; DiStasio, R. A., Jr.; Ferretti, A.; Floris, A.; Fratesi, G.; Fugallo, G.; Gebauer, R.; Gerstmann, U.; Giustino, F.; Gorni, T.; Jia, J.; Kawamura, M.; Ko, H.-Y.; Kokalj, A.; Küçükbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H.-V.; Otero-de-la-Roza, A.; Paulatto, L.; Poncé, S.; Rocca, D.; Sabatini, R.; Santra, B.; Schlipf, M.; Seitsonen, A. P.; Smogunov, A.; Timrov, I.; Thonhauser, T.; Umari, P.; Vast, N.; Wu, X.; Baroni, S.

2017-11-01

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

PubMed

Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, I; Dal Corso, A; de Gironcoli, S; Delugas, P; DiStasio, R A; Ferretti, A; Floris, A; Fratesi, G; Fugallo, G; Gebauer, R; Gerstmann, U; Giustino, F; Gorni, T; Jia, J; Kawamura, M; Ko, H-Y; Kokalj, A; Küçükbenli, E; Lazzeri, M; Marsili, M; Marzari, N; Mauri, F; Nguyen, N L; Nguyen, H-V; Otero-de-la-Roza, A; Paulatto, L; Poncé, S; Rocca, D; Sabatini, R; Santra, B; Schlipf, M; Seitsonen, A P; Smogunov, A; Timrov, I; Thonhauser, T; Umari, P; Vast, N; Wu, X; Baroni, S

2017-10-24

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

PubMed

Andreussi, Oliviero; Brumme, Thomas; Bunau, Oana; Buongiorno Nardelli, Marco; Calandra, Matteo; Car, Roberto; Cavazzoni, Carlo; Ceresoli, Davide; Cococcioni, Matteo; Colonna, Nicola; Carnimeo, Ivan; Dal Corso, Andrea; de Gironcoli, Stefano; Delugas, Pietro; DiStasio, Robert; Ferretti, Andrea; Floris, Andrea; Fratesi, Guido; Fugallo, Giorgia; Gebauer, Ralph; Gerstmann, Uwe; Giustino, Feliciano; Gorni, Tommaso; Jia, Junteng; Kawamura, Mitsuaki; Ko, Hsin-Yu; Kokalj, Anton; Küçükbenli, Emine; Lazzeri, Michele; Marsili, Margherita; Marzari, Nicola; Mauri, Francesco; Nguyen, Ngoc Linh; Nguyen, Huy-Viet; Otero-de-la-Roza, Alberto; Paulatto, Lorenzo; Poncé, Samuel; Giannozzi, Paolo; Rocca, Dario; Sabatini, Riccardo; Santra, Biswajit; Schlipf, Martin; Seitsonen, Ari Paavo; Smogunov, Alexander; Timrov, Iurii; Thonhauser, Timo; Umari, Paolo; Vast, Nathalie; Wu, Xifan; Baroni, Stefano

2017-09-27

Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement theirs ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software. © 2017 IOP Publishing Ltd.

Effects of Locally Applied Glycerol and Xylitol on the Hydration, Barrier Function and Morphological Parameters of the Skin.

PubMed

Korponyai, Csilla; Szél, Edit; Behány, Zoltán; Varga, Erika; Mohos, Gábor; Dura, Ágnes; Dikstein, Shabtay; Kemény, Lajos; Erős, Gábor

2017-02-08

Glycerol and xylitol hydrate the skin and improve its barrier function over a short period. We studied the effects of glycerol and xylitol on the physiological properties and morphology of the skin after longer-term application. Twelve volunteers with dry skin were examined. Three areas on the arms were determined. Area 1 served as untreated control. The vehicle was applied to area 2, while area 3 was treated twice daily with a formulation containing glycerol (5%) and xylitol (5%) for 14 days. Transepidermal water loss (TEWL), hydration and biomechanical properties of the skin were monitored. Biopsies were taken for routine histology and immunohistochemistry for filaggrin and matrix metalloproteinase-1 (MMP-1). The polyols increased the skin hydration and protein quantity of filaggrin, elevated the interdigitation index, decreased the TEWL and improved the biomechanical properties of the skin, but did not change the protein expression of MMP-1. A combination of glycerol and xylitol can be useful additional therapy for dry skin.

Functional improvements in dried egg white through the Maillard reaction.

PubMed

Handa, A; Kuroda, N

1999-05-01

The effects of the Maillard reaction on the functional properties of dried egg white (DEW) were investigated. Maillard-reacted DEW (M-DEW) was prepared by storing sugar-preserved DEW (SP-DEW) at 55 degrees C and 35% relative humidity for 0-12 days. The M-DEW developed an excellent gelling property, and hydrogen sulfide production from heat-induced M-DEW gels decreased. Surface sulfhydryl (SH) group content of M-DEW increased while total SH group and alpha-helix contents decreased with increasing heating time in the dry state. Breaking strength, breaking strain, water-holding capacity, and hydrogen sulfide of heat-induced M-DEW gels significantly correlated with surface and total SH group contents in M-DEW. SDS-PAGE revealed that M-DEW proteins were polymerized in which covalent bonds were involved. The present study demonstrated that the Maillard reaction partially unfolds and polymerizes proteins of SP-DEW and, consequently, improved gelling property of SP-DEW under certain controlled conditions.

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

PubMed

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

2017-02-28

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

Acacia gum as modifier of thermal stability, solubility and emulsifying properties of α-lactalbumin.

PubMed

de Oliveira, Fabíola Cristina; Dos Reis Coimbra, Jane Sélia; de Oliveira, Eduardo Basílio; Rodrigues, Marina Quadrio Raposo Branco; Sabioni, Rachel Campos; de Souza, Bartolomeu Warlene Silva; Santos, Igor José Boggione

2015-03-30

Protein-polysaccharide conjugates often display improved techno-functional properties when compared to their individual involved biomolecules. α-Lactalbumin:acacia gum (α-la:AG) conjugates were prepared via Maillard reaction by the dry-heating method. Conjugate formation was confirmed using results of absorbance, o-phthalaldehyde test, sodium dodecyl sulfate-polyacrilamide gel electrophoresis (SDS-PAGE) and size exclusion chromatography. Techno-functional properties (emulsifying characteristics, solubility, and thermal stability) were evaluated for α-la, α-la/AG mixtures and α-la:AG conjugates. Conjugate thermal stability was improved compared to pure α-la treated at the same conditions of conjugate formation. Response surface methodology was used to establish models to predict solubility and emulsifying activity as functions of the salt concentration, pH and reaction time. α-la:AG conjugate solubility is affected in a complex manner by the three factors analyzed. Emulsifying activity index (EAI) of α-la is significantly affected by pH, while the α-la:AG EAI is affected by the three analyzed factors. Both solubility and EAI are maximized with pH 8.0, NaCl concentration of 0.3 mol L(-1) and two days of Maillard reaction. Copyright © 2014 Elsevier Ltd. All rights reserved.

Covalent functionalization of reduced graphene oxide with porphyrin by means of diazonium chemistry for nonlinear optical performance

NASA Astrophysics Data System (ADS)

Wang, Aijian; Yu, Wang; Huang, Zhipeng; Zhou, Feng; Song, Jingbao; Song, Yinglin; Long, Lingliang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi

2016-03-01

Reduced graphene oxide (RGO)-porphyrin (TPP) nanohybrids (RGO-TPP 1 and RGO-TPP 2) were prepared by two synthetic routes that involve functionalization of the RGO using diazonium salts. The microscopic structures, morphology, photophysical properties and nonlinear optical performance of the resultant RGO-TPP nanohybrids were investigated. The covalent bonding of the porphyrin-functionalized-RGO nanohybrid materials was confirmed by Fourier transform infrared spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, and thermogravimetric analysis. Attachment of the porphyrin units to the surface of the RGO by diazotization significantly improves the solubility and ease of processing of these RGO-based nanohybrid materials. Ultraviolet/visible absorption and steady-state fluorescence studies indicate considerable π-π interactions and effective photo-induced electron and/or energy transfer between the porphyrin moieties and the extended π-system of RGO. The nonlinear optical properties of RGO-TPP 1 and RGO-TPP 2 were investigated by open-aperture Z-scan measurements at 532 nm with both 4 ns and 21 ps laser pulses, the results showing that the chemical nanohybrids exhibit improved nonlinear optical properties compared to those of the benchmark material C60, and the constituent RGO or porphyrins.

Effects of American ginseng (Panax quinquefolius) on neurocognitive function: an acute, randomised, double-blind, placebo-controlled, crossover study

PubMed Central

Ossoukhova, Anastasia; Owen, Lauren; Ibarra, Alvin; Pipingas, Andrew; He, Kan; Roller, Marc; Stough, Con

2010-01-01

Rationale Over the last decade, Asian ginseng (Panax ginseng) has been shown to improve aspects of human cognitive function. American ginseng (Panax quinquefolius) has a distinct ginsenoside profile from P. ginseng, promising cognitive enhancing properties in preclinical studies and benefits processes linked to human cognition. Objectives The availability of a highly standardised extract of P. quinquefolius (Cereboost™) led us to evaluate its neurocognitive properties in humans for the first time. Methods This randomised, double-blind, placebo-controlled, crossover trial (N = 32, healthy young adults) assessed the acute mood, neurocognitive and glycaemic effects of three doses (100, 200 400 mg) of Cereboost™ (P. quinquefolius standardised to 10.65% ginsenosides). Participants' mood, cognitive function and blood glucose were measured 1, 3 and 6 h following administration. Results There was a significant improvement of working memory (WM) performance associated with P. quinquefolius. Corsi block performance was improved by all doses at all testing times. There were differential effects of all doses on other WM tasks which were maintained across the testing day. Choice reaction time accuracy and ‘calmness’ were significantly improved by 100 mg. There were no changes in blood glucose levels. Conclusions This preliminary study has identified robust working memory enhancement following administration of American ginseng. These effects are distinct from those of Asian ginseng and suggest that psychopharmacological properties depend critically on ginsenoside profiles. These results have ramifications for the psychopharmacology of herbal extracts and merit further study using different dosing regimens and in populations where cognition is fragile. PMID:20676609

An Investigation of Electrochemomechanical Actuation of Conductive Polyacrylonitrile (PAN) Nanofiber Composites

NASA Astrophysics Data System (ADS)

Gonzalez, Mark A.

A polymer-based nanofiber composite actuator designed for linear actuation was fabricated by electrospinning, actuated by electrolysis, and characterized by electrical and mechanical testing to address performance limitations and understand the activation processing effects on actuation performance. Currently, Electroactive polymers (EAPs) have provided uses in sensory and actuation technology, but have either low force output or expand rather than contract, falling short in capturing the natural motion and function of muscle desperately needed to provide breakthroughs in the bio-medical and robotic fields. Previous research has shown activated Polyacrylonitrile (PAN) fibers having biomimetic functionalities similar to the sarcomere contraction responsible for muscle function. Activated PAN is also known to contract and expand by electrolysis when in close vicinity to the anode and cathode, respectively. PAN nanofibers especially show faster response to changes in environmental pH and improved mechanical properties over larger diameter fibers. Conductive additives were introduced to the electrospinning solution and activated in an attempt to create composite PAN nanofiber gel actuators with improved conductivity and eliminate the need of stiff electrodes. Tensile testing was conducted to examine changes in mechanical properties between annealing and hydrolysis processing. Introducing conductive additives did not show a significant increase in conductivity and created unusable samples, requiring alternative electrode materials. Electrochemical contraction rates up to 25%/ min were achieved. Strains of 58.8%, ultimate stresses up to 77.1 MPa, and moduli of 0.21 MPa were achieved with pure PAN nanofiber mats, surpassing mechanical properties of natural muscles. Improvements to contraction rates and young's moduli are necessary to capture the function and performance of skeletal muscles properly.

Improvement of the mechanical properties of reinforced aluminum foam samples

NASA Astrophysics Data System (ADS)

Formisano, A.; Barone, A.; Carrino, L.; De Fazio, D.; Langella, A.; Viscusi, A.; Durante, M.

2018-05-01

Closed-cell aluminum foam has attracted increasing attention due to its very interesting properties, thanks to which it is expected to be used as both structural and functional material. A research challenge is the improvement of the mechanical properties of foam-based structures adopting a reinforced approach that does not compromise their lightness. Consequently, the aim of this research is the fabrication of enhanced aluminum foam samples without significantly increasing their original weight. In this regard, cylindrical samples with a core of closed-cell aluminum foam and a skin of fabrics and grids of different materials were fabricated in a one step process and were mechanically characterized, in order to investigate their behaviour and to compare their mechanical properties to the ones of the traditional foam.

Hierarchical functional modularity in the resting-state human brain.

PubMed

Ferrarini, Luca; Veer, Ilya M; Baerends, Evelinda; van Tol, Marie-José; Renken, Remco J; van der Wee, Nic J A; Veltman, Dirk J; Aleman, André; Zitman, Frans G; Penninx, Brenda W J H; van Buchem, Mark A; Reiber, Johan H C; Rombouts, Serge A R B; Milles, Julien

2009-07-01

Functional magnetic resonance imaging (fMRI) studies have shown that anatomically distinct brain regions are functionally connected during the resting state. Basic topological properties in the brain functional connectivity (BFC) map have highlighted the BFC's small-world topology. Modularity, a more advanced topological property, has been hypothesized to be evolutionary advantageous, contributing to adaptive aspects of anatomical and functional brain connectivity. However, current definitions of modularity for complex networks focus on nonoverlapping clusters, and are seriously limited by disregarding inclusive relationships. Therefore, BFC's modularity has been mainly qualitatively investigated. Here, we introduce a new definition of modularity, based on a recently improved clustering measurement, which overcomes limitations of previous definitions, and apply it to the study of BFC in resting state fMRI of 53 healthy subjects. Results show hierarchical functional modularity in the brain. Copyright 2009 Wiley-Liss, Inc

Augmenting static and dynamic mechanical strength of carbon nanotube/epoxy soft nanocomposites via modulation of purification and functionalization routes.

PubMed

Billing, Beant Kaur; Dhar, Purbarun; Singh, Narinder; Agnihotri, Prabhat K

2018-01-03

A detailed experimental investigation was carried out to establish the relationship between CNT purification and functionalization routes and the average response of CNT/epoxy nanocomposites under static and dynamic loading. It was shown that the relative improvement in the mechanical properties of the epoxy matrix due to the addition of CNTs depends on the choice of purification and functionalization steps. A better dispersion of CNTs was recorded for the functionalized CNTs as compared to the oxidized and CVD grown CNTs. Moreover, tensile, 3-point bending and nanoDMA testing performed on nanocomposites processed with CVD-grown, oxidized and functionalized CNTs revealed that COOH functionalization after the oxidation of CNTs at 350 °C is the optimized processing route to harness the excellent properties of CNTs in CNT/epoxy nanocomposites.

Arctic ecosystem functional zones: identification and quantification using an above and below ground monitoring strategy

NASA Astrophysics Data System (ADS)

Hubbard, Susan S.; Ajo-Franklin, Jonathan B.; Dafflon, Baptiste; Dou, Shan; Kneafsey, Tim J.; Peterson, John E.; Tas, Neslihan; Torn, Margaret S.; Phuong Tran, Anh; Ulrich, Craig; Wainwright, Haruko; Wu, Yuxin; Wullschleger, Stan

2015-04-01

Although accurate prediction of ecosystem feedbacks to climate requires characterization of the properties that influence terrestrial carbon cycling, performing such characterization is challenging due to the disparity of scales involved. This is particularly true in vulnerable Arctic ecosystems, where microbial activities leading to the production of greenhouse gasses are a function of small-scale hydrological, geochemical, and thermal conditions influenced by geomorphology and seasonal dynamics. As part of the DOE Next-Generation Ecosystem Experiment (NGEE-Arctic), we are advancing two approaches to improve the characterization of complex Arctic ecosystems, with an initial application to an ice-wedge polygon dominated tundra site near Barrow, AK, USA. The first advance focuses on developing a new strategy to jointly monitor above- and below- ground properties critical for carbon cycling in the tundra. The strategy includes co-characterization of properties within the three critical ecosystem compartments: land surface (vegetation, water inundation, snow thickness, and geomorphology); active layer (peat thickness, soil moisture, soil texture, hydraulic conductivity, soil temperature, and geochemistry); and permafrost (mineral soil and ice content, nature, and distribution). Using a nested sampling strategy, a wide range of measurements have been collected at the study site over the past three years, including: above-ground imagery (LiDAR, visible, near infrared, NDVI) from various platforms, surface geophysical datasets (electrical, electromagnetic, ground penetrating radar, seismic), and point measurements (such as CO2 and methane fluxes, soil properties, microbial community composition). A subset of the coincident datasets is autonomously collected daily. Laboratory experiments and new inversion approaches are used to improve interpretation of the field geophysical datasets in terms of ecosystem properties. The new strategy has significantly advanced our ability to characterize and monitor ecosystem functioning - within and across permafrost, active layer and land-surface compartments and as a function of geomorphology and seasonal dynamics (thaw, growing season, freeze-up, and winter seasons). The second construct uses statistical approaches with the rich datasets to identify Arctic functional zones. Functional zones are regions in the landscape that have unique assemblages of above- and below-ground properties relevant to ecosystem functioning. Results demonstrate the strong co-variation of above and below ground properties in this Arctic ecosystem, particularly highlighting the critical influence of soil moisture on vegetation dynamics and redox-based active-layer biogeochemistry important for carbon cycling. The results also indicate that polygon types (low centered, high centered) have more power to explain the variations in properties than polygon features (trough, rim, center). This finding allows delineation of functional zones through grouping contiguous, similar types of polygons using remote sensing and surface geophysical datasets. Applied to the tundra NGEE study site, the functional zone approach permitted aggregation of critical properties associated with ~1350 polygons and their individual features, which vary over centimeter-to-meter length scales, into a few functional zones having suites of co-varying properties that were tractably defined over ~hundred meter length scales. The developed above-and-below ground monitoring strategy and functional zone approach are proving to be extremely valuable for gaining new insights about a complex Arctic ecosystem and for characterizing the system properties at high resolution and yet with spatial extents relevant for informing models focused on simulating ecosystem-climate feedbacks.

Application of Calcium Phosphate Materials in Dentistry

PubMed Central

Al-Sanabani, Jabr S.; Al-Sanabani, Fadhel A.

2013-01-01

Calcium phosphate materials are similar to bone in composition and in having bioactive and osteoconductive properties. Calcium phosphate materials in different forms, as cements, composites, and coatings, are used in many medical and dental applications. This paper reviews the applications of these materials in dentistry. It presents a brief history, dental applications, and methods for improving their mechanical properties. Notable research is highlighted regarding (1) application of calcium phosphate into various fields in dentistry; (2) improving mechanical properties of calcium phosphate; (3) biomimetic process and functionally graded materials. This paper deals with most common types of the calcium phosphate materials such as hydroxyapatite and tricalcium phosphate which are currently used in dental and medical fields. PMID:23878541

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

NASA Astrophysics Data System (ADS)

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

2017-08-01

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

Improving Assessment of Work Related Mental Health Function Using the Work Disability Functional Assessment Battery (WD-FAB).

PubMed

Marfeo, Elizabeth E; Ni, Pengsheng; McDonough, Christine; Peterik, Kara; Marino, Molly; Meterko, Mark; Rasch, Elizabeth K; Chan, Leighton; Brandt, Diane; Jette, Alan M

2018-03-01

Purpose To improve the mental health component of the Work Disability Functional Assessment Battery (WD-FAB), developed for the US Social Security Administration's (SSA) disability determination process. Specifically our goal was to expand the WD-FAB scales of mood & emotions, resilience, social interactions, and behavioral control to improve the depth and breadth of the current scales and expand the content coverage to include aspects of cognition & communication function. Methods Data were collected from a random, stratified sample of 1695 claimants applying for the SSA work disability benefits, and a general population sample of 2025 working age adults. 169 new items were developed to replenish the WD-FAB scales and analyzed using factor analysis and item response theory (IRT) analysis to construct unidimensional scales. We conducted computer adaptive test (CAT) simulations to examine the psychometric properties of the WD-FAB. Results Analyses supported the inclusion of four mental health subdomains: Cognition & Communication (68 items), Self-Regulation (34 items), Resilience & Sociability (29 items) and Mood & Emotions (34 items). All scales yielded acceptable psychometric properties. Conclusions IRT methods were effective in expanding the WD-FAB to assess mental health function. The WD-FAB has the potential to enhance work disability assessment both within the context of the SSA disability programs as well as other clinical and vocational rehabilitation settings.

Functional properties of roselle (Hibiscus sabdariffa L.) seed and its application as bakery product.

PubMed

Nyam, Kar-Lin; Leao, Sod-Ying; Tan, Chin-Ping; Long, Kamariah

2014-12-01

Roselle (Hibiscus sabdariffa L.) seed is a valuable food resource as it has an excellent source of dietary fibre. Therefore, this study examined the functional properties of roselle seeds. Replacement of cookie flour with roselle seed powder at levels of 0-30 % was investigated for its effect on functional and nutritional properties of cookies. Among the four formulations cookies, the most preferred by panelists was 20 % roselle seed powder cookie (F3), followed by 10 % roselle seed powder cookie (F2) and 30 % roselle seed powder cookie (F4). The least preferred formulation among all was control cookie (F1). Cookie with 20 % roselle seed powder added showed higher content of total dietary fibre (5.6 g/100 g) as compared with control cookie (0.90 g/100 g). Besides that, cookies incorporated with roselle seed powder exhibited improved antioxidant properties. Thus, roselle seed powder can be used as a dietary fibre source and developed as a functional ingredient in food products.

Property-driven functional verification technique for high-speed vision system-on-chip processor

NASA Astrophysics Data System (ADS)

Nshunguyimfura, Victor; Yang, Jie; Liu, Liyuan; Wu, Nanjian

2017-04-01

The implementation of functional verification in a fast, reliable, and effective manner is a challenging task in a vision chip verification process. The main reason for this challenge is the stepwise nature of existing functional verification techniques. This vision chip verification complexity is also related to the fact that in most vision chip design cycles, extensive efforts are focused on how to optimize chip metrics such as performance, power, and area. Design functional verification is not explicitly considered at an earlier stage at which the most sound decisions are made. In this paper, we propose a semi-automatic property-driven verification technique. The implementation of all verification components is based on design properties. We introduce a low-dimension property space between the specification space and the implementation space. The aim of this technique is to speed up the verification process for high-performance parallel processing vision chips. Our experimentation results show that the proposed technique can effectively improve the verification effort up to 20% for the complex vision chip design while reducing the simulation and debugging overheads.

Cell adhesion pattern created by OSTE polymers.

PubMed

Liu, Wenjia; Li, Yiyang; Ding, Xianting

2017-04-24

Engineering surfaces with functional polymers is a crucial issue in the field of micro/nanofabrication and cell-material interface studies. For many applications of surface patterning, it does not need cells to attach on the whole surface. Herein, we introduce a novel polymer fabrication protocol of off-stoichiometry thiol-ene (OSTE) polymers to create heterogeneity on the surface by utilizing 3D printing and soft-lithography. By choosing two OSTE polymers with different functional groups, we create a pattern where only parts of the surface can facilitate cell adhesion. We also study the hydrophilic property of OSTE polymers by mixing poly(ethylene glycol) (PEG) directly with pre-polymers and plasma treatments afterwards. Moreover, we investigate the effect of functional groups' excess ratio and hydrophilic property on the cell adhesion ability of OSTE polymers. The results show that the cell adhesion ability of OSTE materials can be tuned within a wide range by the coupling effect of functional groups' excess ratio and hydrophilic property. Meanwhile, by mixing PEG with pre-polymers and undergoing oxygen plasma treatment afterward can significantly improve the hydrophilic property of OSTE polymers.

Optimum conditions for extracting collagen from the tunica albuginea of immunologically castrated pig testes and the functional properties of the isolated collagen.

PubMed

Simões, Gislaine Silveira; Silveira, Expedito Tadeu Facco; de Oliveira, Simone Raymundo; Poleze, Evandro; Allison, Jim R D; Ida, Elza Iouko; Shimokomaki, Massami

2014-04-01

This study evaluated alternative methods for extracting collagen from the tunica albuginea of pig testes and characterized the functional properties of the isolated collagen. Using the statistical tools of factorial design (2⁴⁻¹) and a central composite rotatable design (2³), it was concluded that the best conditions were 0.83 mol L⁻¹ acetic acid, 0.24% pepsin and 28 h of hydrolysis to isolate 82.54 g of collagen per 100g of sample. This purified collagen had improved functional properties in relation to bovine skin collagen, including water solubility, water-holding capacity, emulsifying capacity and emulsion stability. These results suggest that isolated collagen from the tunica albuginea can be used in pharmaceutical and food products. Copyright © 2013 Elsevier Ltd. All rights reserved.

Self-consistent DFT +U method for real-space time-dependent density functional theory calculations

NASA Astrophysics Data System (ADS)

Tancogne-Dejean, Nicolas; Oliveira, Micael J. T.; Rubio, Angel

2017-12-01

We implemented various DFT+U schemes, including the Agapito, Curtarolo, and Buongiorno Nardelli functional (ACBN0) self-consistent density-functional version of the DFT +U method [Phys. Rev. X 5, 011006 (2015), 10.1103/PhysRevX.5.011006] within the massively parallel real-space time-dependent density functional theory (TDDFT) code octopus. We further extended the method to the case of the calculation of response functions with real-time TDDFT+U and to the description of noncollinear spin systems. The implementation is tested by investigating the ground-state and optical properties of various transition-metal oxides, bulk topological insulators, and molecules. Our results are found to be in good agreement with previously published results for both the electronic band structure and structural properties. The self-consistent calculated values of U and J are also in good agreement with the values commonly used in the literature. We found that the time-dependent extension of the self-consistent DFT+U method yields improved optical properties when compared to the empirical TDDFT+U scheme. This work thus opens a different theoretical framework to address the nonequilibrium properties of correlated systems.

Functional Metal Matrix Composites: Self-lubricating, Self-healing, and Nanocomposites-An Outlook

NASA Astrophysics Data System (ADS)

Dorri Moghadam, Afsaneh; Schultz, Benjamin F.; Ferguson, J. B.; Omrani, Emad; Rohatgi, Pradeep K.; Gupta, Nikhil

2014-06-01

Many different types of advanced metal matrix composites are now available, some of which possess functional properties. Recent work on particle-reinforced, self-lubricating and self-healing metals and metal matrix nanocomposites (MMNCs) synthesized by solidification synthesis is reviewed. Particle-based MMNCs have been developed by several modern processing tools based on either solid- or liquid-phase synthesis techniques that are claimed to exhibit exciting mechanical properties including improvements of modulus, yield strength, and ultimate tensile strength. This article presents a brief and objective review of the work done over the last decade to identify the challenges and future opportunities in the area of functional nanocomposites. Increasing interest in lightweight materials has resulted in studies on hollow particle-filled metal matrix syntactic foams. Syntactic foams seem especially suitable for development with functional properties such as self-healing and self-lubrication. The metal matrix micro and nanocomposites, and syntactic foams having combinations of ultrahigh strength and wear resistance, self-lubricating, and/or self-healing properties can lead to increased energy efficiency, reliability, comfort of operation, reparability, and safety of vehicles. The focus of the present review is aluminum and magnesium matrix functional materials.

Polylactide-based bionanocomposites: a promising class of hybrid materials.

PubMed

Sinha Ray, Suprakas

2012-10-16

Polylactide (PLA) is the oldest and potentially one of the most interesting and useful biodegradable man-made polymers because of its renewable origin, controlled synthesis, good mechanical properties, and inherent biocompatibility. The blending of PLA with functional nanoparticles can yield a new class of hybrid materials, commonly known as bionanocomposites, where 1-5% nanoparticles by volume are molecularly dispersed within the PLA matrix. The dispersed nanoparticles with their large surface areas and low percolation thresholds both can improve the properties significantly in comparison with neat PLA and can introduce new value-added properties. Recently, researchers have made extraordinary progress in the practical processing and development of products from PLA bionanocomposites. The variation of the nanofillers with different functionalities can lead to many bionanocomposite applications including environmentally friendly packaging, materials for construction, automobiles, and tissue regeneration, and load-bearing scaffolds for bone reconstruction. This Account focuses on these recent research efforts, processing techniques, and key research challenges in the development of PLA-based bionanocomposites for use in applications from green plastics to biomedical applications. Growing concerns over environmental issues and high demand for advanced polymeric materials with balanced properties have led to the development of bionanocomposites of PLA and natural origin fillers, such as nanoclays. The combination of nanoclays with the PLA matrix allows us to develop green nanocomposites that possess several superior properties. For example, adding ∼5 vol % clay to PLA improved the storage modulus, tensile strength, break elongation, crystallization rate, and other mechanical properties. More importantly, the addition of clay decreases the gas and water vapor permeation, increases the heat distortion temperature and scratch resistance, and controls the biodegradation of the PLA matrix. In biomedicine, researchers have employed the design rules found in nature to fabricate PLA-based bionanocomposites. The incorporation of functional nanoparticles in the PLA matrix has improved the physical properties and changed the surface characteristics of the matrix that are important for tissue engineering and artificial bone reconstruction, such as its thermal and electrical conductivity, surface roughness, and wettability. Finally, of the introduction of bionanocomposite biocompatible surfaces on drugs, such as antibiotics, could produce delivery systems that act locally.

Characterization of cookies made from wheat flour blended with buckwheat flour and effect on antioxidant properties.

PubMed

Jan, Ulfat; Gani, Adil; Ahmad, Mudasir; Shah, Umar; Baba, Waqas N; Masoodi, F A; Maqsood, Sajid; Gani, Asir; Wani, Idress Ahmed; Wani, S M

2015-10-01

Buckwheat flour was incorporated into wheat flour at different levels (0, 20, 40, 60, 80, and 100 %) and the physicochemical, functional and antioxidant properties of the blended flour were studied. This study also investigated the effect of buckwheat on the retention of antioxidant properties of cookies during baking. The results showed significant variation in physicochemical and functional properties of the blended flour. The addition of buckwheat flour into wheat flour also increased the antioxidant properties of blended flour proportionally, but metal chelating properties decreased. The incorporation of buckwheat in wheat flour helped in better retention of antioxidant potential of cookies during baking process as buckwheat cookies (100 % buckwheat) showed greater percentage increase in antioxidant properties than control (100 % wheat). Quality characteristics of cookies such as hardness and spread ratio decreased, while as non-enzymatic browning (NEB) increased significantly with increase in the proportion of buckwheat flour in wheat flour. The Overall acceptability of cookies by sensory analysis was highest at 40 % level of blending. This study concluded that addition of buckwheat in wheat flour, may not only improve the physico-chemical and functional properties of the blended flour but may also enhance the nutraceutical potential of the product prepared from it.

The role of soil communities in improving ecosystem services in organic farming

NASA Astrophysics Data System (ADS)

Zandbergen, Jelmer; Koorneef, Guusje; Veen, Cees; Schrama, Jan; van der Putten, Wim

2017-04-01

Worldwide soil fertility decreases and it is generally believed that organic matter (OM) addition to agricultural soils can improve soil properties leading to beneficial ecosystem services. However, it remains unknown under which conditions and how fast biotic, physical and chemical soil properties respond to varying quality and quantity of OM inputs. Therefore, the aims of this research project are (1) to unravel biotic, physical and chemical responses of soils to varying quantity and quality of OM addition; and (2) to understand how we can accelerate the response of soils in order to improve beneficial soil ecosystem services faster. The first step in our research project is to determine how small-scale spatio-temporal patterns in soil biotic, physical and chemical properties relate to crop production and quality. To do this we combine field measurements on soil properties with remote and proximate sensing measures on crop development and yield in a long-term farming systems experiment in the Netherlands (Vredepeel). We hypothesize that spatio-temporal variation in crop development and yield are strongly related to spatio-temporal variation in soil parameters. In the second step of our project we will use this information to identify biological interactions underlying improving soil functions in response to OM addition over time. We will specifically focus on the role of soil communities in driving nutrient cycling, disease suppression and the formation of soil structure, all crucial elements of key soil services in agricultural soils. The knowledge that will be generated in our project can be used to detect specific organic matter qualities that support the underlying ecological processes to accelerate the transition towards improved soil functioning thereby governing enhanced crop yields.

Plasma modification of sisal and high-density polyethylene composites : effect on mechanical properties

Treesearch

A.R. Martin; S. Manolache; L.H.C. Mattoso; R.M. Rowell; F. Denes

2000-01-01

Sisal fibers and finely powdered high-density polyethylene were surface functionalized using dichlorosilane (DS) under R-F plasma conditions to improve interfacial adhesion between the two dissimilar substrates. The functionalized polyethylene (70%) and sisal (30%) were compounded on four different ways using thermokinetic mixer and injected molded into composites...

Strategies for the Synthesis of Higher Acenes

PubMed Central

Dorel, Ruth

2016-01-01

The outstanding performance of pentacene‐based molecules in molecular electronics, as well as the predicted enhanced semiconducting properties of extended acenes, have stimulated the development of new synthetic methods and functionalization strategies for the preparation of stable and soluble acenes larger than tetracene with the aim of obtaining improved functional materials. PMID:28747846

A review of the impacts of degradation threats on soil properties in the UK.

PubMed

Gregory, A S; Ritz, K; McGrath, S P; Quinton, J N; Goulding, K W T; Jones, R J A; Harris, J A; Bol, R; Wallace, P; Pilgrim, E S; Whitmore, A P

2015-10-01

National governments are becoming increasingly aware of the importance of their soil resources and are shaping strategies accordingly. Implicit in any such strategy is that degradation threats and their potential effect on important soil properties and functions are defined and understood. In this paper, we aimed to review the principal degradation threats on important soil properties in the UK, seeking quantitative data where possible. Soil erosion results in the removal of important topsoil and, with it, nutrients, C and porosity. A decline in soil organic matter principally affects soil biological and microbiological properties, but also impacts on soil physical properties because of the link with soil structure. Soil contamination affects soil chemical properties, affecting nutrient availability and degrading microbial properties, whilst soil compaction degrades the soil pore network. Soil sealing removes the link between the soil and most of the 'spheres', significantly affecting hydrological and microbial functions, and soils on re-developed brownfield sites are typically degraded in most soil properties. Having synthesized the literature on the impact on soil properties, we discuss potential subsequent impacts on the important soil functions, including food and fibre production, storage of water and C, support for biodiversity, and protection of cultural and archaeological heritage. Looking forward, we suggest a twin approach of field-based monitoring supported by controlled laboratory experimentation to improve our mechanistic understanding of soils. This would enable us to better predict future impacts of degradation processes, including climate change, on soil properties and functions so that we may manage soil resources sustainably.

Improved silencing properties using small internally segmented interfering RNAs

PubMed Central

Bramsen, Jesper B.; Laursen, Maria B.; Damgaard, Christian K.; Lena, Suzy W.; Ravindra Babu, B.; Wengel, Jesper; Kjems, Jørgen

2007-01-01

RNA interference is mediated by small interfering RNAs (siRNAs) that upon incorporation into the RNA-induced silencing complex (RISC) can target complementary mRNA for degradation. Standard siRNA design usually feature a 19–27 base pair contiguous double-stranded region that is believed to be important for RISC incorporation. Here, we describe a novel siRNA design composed of an intact antisense strand complemented with two shorter 10–12 nt sense strands. This three-stranded construct, termed small internally segmented interfering RNA (sisiRNA), is highly functional demonstrating that an intact sense strand is not a prerequisite for RNA interference. Moreover, when using the sisiRNA design only the antisense strand is functional in activated RISC thereby completely eliminating unintended mRNA targeting by the sense strand. Interestingly, the sisiRNA design supports the function of chemically modified antisense strands, which are non-functional within the context of standard siRNA designs. This suggests that the sisiRNA design has a clear potential of improving the pharmacokinetic properties of siRNA in vivo. PMID:17726057

Microinjection moulding of polymeric composites with functionalized carbon nanotubes =

NASA Astrophysics Data System (ADS)

Ferreira, Tania Sofia Araujo Figueiras

Microinjection moulding of polymeric composites with functionalized carbon nanotubes The unique electronic, mechanical, and structural properties of carbon nanotubes (CNT) make them suitable for applications in the fields of electronics, sensors, medical devices, aerospace and automotive industries. The preparation of CNT/polymer nanocomposites presents particular interest among the various possible applications. However, the long entangled nanotubes form agglomerates that poses serious obstacles to further development of nanocomposites with the target properties. One of the approaches to overcome the CNT chemical inertness, enhance the compatibility with the matrix and improve homogeneous dispersion through the matrix is through its covalent functionalization. This is expected to improve the CNT interface with the polymer matrix, thus improving the mechanical properties of the nanocomposites at very low content. One of the purposes of this thesis was to implement the covalent modification of the CNT surface using a simple functionalization method, to increase the CNT surface reactivity and possibly help their dispersion into the polyamide matrix without inducing structural damage on the CNT. The functionalization of CNT was carried out through the 1,3-dipolar cycloaddition reaction of azomethine ylides using a solvent-free reaction route. CNT were successful functionalized with pyrrolidine groups through a simple and fast procedure that was scaled up, and may be compatible with current industrial processes. Another objective was to disperse the CNT in polyamide 6 (PA6) using melt mixing, and to produce PA6/CNT nanocomposites by microinjection molding (plM). Finally, the morphological and physical properties of the mouldings produced were evaluated. The plM process is becoming of greater importance for the manufacturing of polymeric micro- components considering its low cost and short cycle times, useful for mass production. The as-received and functionalized CNT were dispersed in PA6 at various contents (1, 1.5, 3 and 4.5 w.%) by twin-screw extrusion and then processed by pllVl. The same procedure was carried out for PA6 without CNT. To study the influence of the specific thermo-mechanical conditions generated during pllVl, the morphology and structure of PA6 and PA6/CNT samples produced by melt extrusion and plM were compared. The specimens of PA6 and PA6/CNT nanocomposites were analyzed by polarized light microscopy, differential scanning calorimetry, and wide-angle X-ray diffraction. The effect of the processing method upon the development of crystallinity in PA6 and PA6/CNT samples was studied. The contribution of the two crystalline phases, oi and y, on the PA6 with and without CNT was measured. The degree of crystallinity of the plM PA6 sample was lower compared to the extruded material, and was not affected by the CNT content. The plM samples of PA6 presented a considerable molecular orientation at the skin region that decreased towards the sample core, with larger contribution of y-phase compared to extruded samples. The orientation exhibited by plM parts of PA6, mainly at the skin region, is not detectable after CNT addition. The dispersion of the CNT agglomerates was quantified in all PA6/CNT samples using optical microscopy and image analysis. The effect of functionalization on the PA6/CNT interface, the nanocomposite morphology and the mechanical and electrical properties were studied. It was observed that the microinjected composites with functionalized CNT presented improved dispersion, with smaller CNT agglomerate area ratio compared to the composites with pure nanotubes. The functionalized nanotubes showed better adhesion to PA6 compared to pure nanotubes, as observed by scanning electron microscopy. The incorporation of CNT considerably improved the mechanical properties. The effect of high shear rate of the polymer melt on carbon nanotube alignment during plM was assessed by comparing the electrical resistivity of the composite after extrusion and after pllVl, through the thickness and along the flow direction. The experiments showed that the moulding geometry design and processing conditions significantly affected electrical resistivity. This thesis provides an insight into the joint effect of CNT chemical functionalization and the specific conditions of plM on PA6 morphology and on CNT dispersion, and its influence on the electrical, mechanical and thermal properties of the resulting composites.

Physicochemical and functional properties of ultrasonic-treated tragacanth hydrogels cross-linked to lysozyme.

PubMed

Koshani, Roya; Aminlari, Mahmoud

2017-10-01

The purpose of this study was to prepare, characterize and investigate physiochemical and functional attributes of hen egg white lysozyme (LZM) cross-linked with ultrasonic-treated tragacanth (US-treated TGC) under mild Maillard reactions conditions. FT-IR spectroscopy together with OPA assay revealed that covalent attachment of LZM with TCG's. Under optimum condition (pH=8.5, 60°C, RH=79%, 8 days), only one of the free amino group of LZM was blocked by TGC whereas under the same condition, US treated-TGC's blocked about three amino groups. The thermal stability of the LZM-TGC conjugates differed depending on the lengths of the main and branch chains. The microstructure of LZM-TGC conjugates was characterized by scanning electron microscopy. US-treated TGC-LZM exhibited improved solubility, emulsion properties, foam capacity and stability as compared with the native LZM. Since this gum is extensively used in food industry and application of LZM as a natural antimicrobial agents in different food systems is recommended and practiced in some countries, the results of this study indicates that a conjugated product of these two polymers combines different properties into one macromolecule and improves the property of each. These properties may make the conjugate an attractive food ingredient. Copyright © 2017 Elsevier B.V. All rights reserved.

Physical properties of sugar cookies containing chia-oat composites.

PubMed

Inglett, George E; Chen, Diejun; Liu, Sean

2014-12-01

Omega-3 fatty acids of chia seeds (Salvia hispanica L.) and soluble β-glucan of oat products are known for lowering blood cholesterol and preventing coronary heart disease. Nutrim, oat bran concentrate (OBC), and whole oat flour (WOF) were composited with finely ground chia, and used in cookies at 20% replacement of wheat flour for improved nutritional and physical quality. The objective was to evaluate physical properties of chia-oat composites, dough, and cookies. These composites had improved water-holding capacities compared to the starting materials. The geometrical properties and texture properties of the cookies were not greatly influenced by a 20% flour replacement using chia-OBC or chia-WOF composites. There was a decrease in the cookie diameter, and increases in the height of cookies and dough hardness using 20% Chia- Nutrim composite. These fine-particle chia-oat composites were prepared by a feasible procedure for improved nutritional value and physical properties of foods. The cookies containing chia-oat composites can be considered a health-promoting functional food. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

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

PubMed

Kaialy, Waseem; Khan, Usman; Mawlud, Shadan

2016-08-20

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

Efficacy of Alkali-treated Sugarcane Fiber for Improving Physicochemical and Textural Properties of Meat Emulsions with Different Fat Levels.

PubMed

Kim, Hyun-Wook; Setyabrata, Derico; Lee, Yong-Jae; Brad Kim, Yuan H

2018-04-01

The objective of this study was to evaluate the efficacy of alkaline-treated sugarcane bagasse fiber on physicochemical and textural properties of meat emulsion with different fat levels. Crude sugarcane bagasse fiber (CSF) was treated with calcium hydroxide (Ca(OH 2 )) to obtain alkaline-treated sugarcane bagasse fiber (ASF). The two types of sugarcane bagasse fiber (CSF and ASF) were incorporated at 2% levels in pork meat emulsions prepared with 5%, 10% and 20% fat levels. Alkaline-treatment markedly increased acid detergent fiber content ( p =0.002), but significantly decreased protein, fat, ash and other carbohydrate contents. ASF exhibited significantly higher water-binding capacity, but lower oil-binding and emulsifying capacities than CSF. Meat emulsions formulated with 10% fat and 2% sugarcane bagasse fiber had equivalent cooking loss and textural properties to control meat emulsion (20% fat without sugarcane bagasse fiber). The two types of sugarcane bagasse fiber had similar impacts on proximate composition, cooking yield and texture of meat emulsion at the same fat level, respectively ( p >0.05). Our results confirm that sugarcane bagasse fiber could be a functional food ingredient for improving physicochemical and textural properties of meat emulsion, at 2% addition level. Further, the altered functional properties of alkaline-treated sugarcane bagasse fiber had no impacts on physicochemical and textural properties of meat emulsions, regardless of fat level at 5%, 10% and 20%.

Properties of rigid polyurethane foams filled with milled carbon fibers

NASA Astrophysics Data System (ADS)

Yakushin, V.; Stirna, U.; Bel'kova, L.; Deme, L.; Sevastyanova, I.

2011-01-01

The effect of milled carbon fibers of two types (differing in length) on the properties of rigid polyurethane foams in the density range from 50 to 90 kg/m3 is investigated. The coefficient of thermal expansion and properties of the foams in tension and compression as functions of fiber content in them are determined. It is found that the long fibers are more efficient in improving the properties of the foams in their rise direction. The elongation at break of the foams decreases significantly with increasing fiber content.

Surface functionalization of metal organic frameworks for mixed matrix membranes

DOEpatents

Albenze, Erik; Lartey, Michael; Li, Tao; Luebke, David R.; Nulwala, Hunaid B.; Rosi, Nathaniel L.; Venna, Surendar R.

2017-03-21

Mixed Matrix Membrane (MMM) are composite membranes for gas separation and comprising a quantity of inorganic filler particles, in particular metal organic framework (MOF), dispersed throughout a polymer matrix comprising one or more polymers. This disclosure is directed to MOF functionalized through addition of a pendant functional group to the MOF, in order to improve interaction with a surrounding polymer matrix in a MMM. The improved interaction aids in avoiding defects in the MMM due to incompatible interfaces between the polymer matrix and the MOF particle, in turn increasing the mechanical and gas separation properties of the MMM. The disclosure is also directed to a MMM incorporating the surface functionalized MOF.

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

PubMed

Vijayendra, S V N; Shamala, T R

2014-12-01

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

Improvement of Functional Properties of Wheat Gluten Using Acid Protease from Aspergillus usamii

PubMed Central

Deng, Lingli; Wang, Zhaoxia; Yang, Sheng; Song, Junmei; Que, Fei; Zhang, Hui; Feng, Fengqin

2016-01-01

Hydrolysis parameters (temperature, E/S ratio, pH, and time) for acid protease (from Aspergillus usamii) hydrolysis of wheat gluten were optimized by response surface methodology (RSM) using emulsifying activity index (EAI) as the response factor. A temperature of 48.9°C, E/S ratio of 1.60%, pH 3.0, hydrolysis time of 2.5 h was found to be the optimum condition to obtain wheat gluten hydrolysate with higher EAI. The solubility of wheat gluten was greatly improved by hydrolysis and became independent of pH over the studied range. Enzymatic hydrolysis resulted in dramatically increase in EAI, water and oil holding capacity. Molecular weight distribution results showed that most of the peptides above 10 kDa have been hydrolyzed into smaller peptides. The results of FTIR spectra and disulfide bond (SS) and sulfhydryl (SH) content suggested that a more extensional conformation was formed after hydrolysis, which could account for the improved functional properties. PMID:27467884

Improvement of Functional Properties of Wheat Gluten Using Acid Protease from Aspergillus usamii.

PubMed

Deng, Lingli; Wang, Zhaoxia; Yang, Sheng; Song, Junmei; Que, Fei; Zhang, Hui; Feng, Fengqin

2016-01-01

Hydrolysis parameters (temperature, E/S ratio, pH, and time) for acid protease (from Aspergillus usamii) hydrolysis of wheat gluten were optimized by response surface methodology (RSM) using emulsifying activity index (EAI) as the response factor. A temperature of 48.9°C, E/S ratio of 1.60%, pH 3.0, hydrolysis time of 2.5 h was found to be the optimum condition to obtain wheat gluten hydrolysate with higher EAI. The solubility of wheat gluten was greatly improved by hydrolysis and became independent of pH over the studied range. Enzymatic hydrolysis resulted in dramatically increase in EAI, water and oil holding capacity. Molecular weight distribution results showed that most of the peptides above 10 kDa have been hydrolyzed into smaller peptides. The results of FTIR spectra and disulfide bond (SS) and sulfhydryl (SH) content suggested that a more extensional conformation was formed after hydrolysis, which could account for the improved functional properties.

Anti-site disorder and improved functionality of Mn₂NiX (X = Al, Ga, In, Sn) inverse Heusler alloys

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

Paul, Souvik; Kundu, Ashis; Ghosh, Subhradip, E-mail: subhra@iitg.ernet.in

2014-10-07

Recent first-principles calculations have predicted Mn₂NiX (X = Al, Ga, In, Sn) alloys to be magnetic shape memory alloys. Moreover, experiments on Mn₂NiGa and Mn₂NiSn suggest that the alloys deviate from the perfect inverse Heusler arrangement and that there is chemical disorder at the sublattices with tetrahedral symmetry. In this work, we investigate the effects of such chemical disorder on phase stabilities and magnetic properties using first-principles electronic structure methods. We find that except Mn₂NiAl, all other alloys show signatures of martensitic transformations in presence of anti-site disorder at the sublattices with tetrahedral symmetry. This improves the possibilities of realizingmore » martensitic transformations at relatively low fields and the possibilities of obtaining significantly large inverse magneto-caloric effects, in comparison to perfect inverse Heusler arrangement of atoms. We analyze the origin of such improvements in functional properties by investigating electronic structures and magnetic exchange interactions.« less

Mesenchymal stem cell mechanobiology and emerging experimental platforms

PubMed Central

MacQueen, Luke; Sun, Yu; Simmons, Craig A.

2013-01-01

Experimental control over progenitor cell lineage specification can be achieved by modulating properties of the cell's microenvironment. These include physical properties of the cell adhesion substrate, such as rigidity, topography and deformation owing to dynamic mechanical forces. Multipotent mesenchymal stem cells (MSCs) generate contractile forces to sense and remodel their extracellular microenvironments and thereby obtain information that directs broad aspects of MSC function, including lineage specification. Various physical factors are important regulators of MSC function, but improved understanding of MSC mechanobiology requires novel experimental platforms. Engineers are bridging this gap by developing tools to control mechanical factors with improved precision and throughput, thereby enabling biological investigation of mechanics-driven MSC function. In this review, we introduce MSC mechanobiology and review emerging cell culture platforms that enable new insights into mechanobiological control of MSCs. Our main goals are to provide engineers and microtechnology developers with an up-to-date description of MSC mechanobiology that is relevant to the design of experimental platforms and to introduce biologists to these emerging platforms. PMID:23635493

An Investigation of Siloxane Cross-linked Hydroxyapatite-Gelatin/Copolymer Composites for Potential Orthopedic Applications†

PubMed Central

Dyke, Jason Christopher; Knight, Kelly Jane; Zhou, Huaxing; Chiu, Chi-Kai; Ko, Ching-Chang; You, Wei

2012-01-01

Causes of bone deficiency are numerous, but biomimetic alloplastic grafts provide an alternative to repair tissue naturally. Previously, a hydroxyapatite-gelatin modified siloxane (HAp-Gemosil) composite was prepared by cross-linking (N, N′-bis[(3-trimethoxysilyl)propyl]ethylene diamine (enTMOS) around the HAp-Gel nanocomposite particles, to mimic the natural composition and properties of bone. However, the tensile strength remained too low for many orthopedic applications. It was hypothesized that incorporating a polymer chain into the composite could help improve long range interaction. Furthermore, designing this polymer to interact with the enTMOS siloxane cross-linked matrix would provide improved adhesion between the polymer and the ceramic composite, and improve mechanical properties. To this end, copolymers of L-Lactide (LLA), and a novel alkyne derivatized trimethylene carbonate, propargyl carbonate (PC), were synthesized. Incorporation of PC during copolymerization affects properties of copolymers such as molecular weight, Tg, and % PC incorporation. More importantly, PC monomers bear a synthetic handle, allowing copolymers to undergo post-polymerization functionalization with graft monomers to specifically tailor the properties of the final composite. For our investigation, P(LLA-co-PC) copolymers were functionalized by an azido-silane (AS) via copper catalyzed azide-alkyne cycloaddition (CuAAC) through terminal alkyne on PC monomers. The new functionalized polymer, P(LLA-co-PC)(AS) was blended with HAp-Gemosil, with the azido-silane linking the copolymer to the silsesquioxane matrix within the final composite. These HAp-Gemosil/P(LLA-co-PC)(AS) composites were subjected to mechanical and biological testing, and the results were compared with those from the HAp-Gemosil composites. This study revealed that incorporating a cross-linkable polymer served to increase the flexural strength of the composite by 50%, while maintaining the biocompatibility of HAp-Gemosil ceramics. PMID:23139457

Physicochemical, pasting, and functional properties of amaranth seed flours: effects of lipids removal.

PubMed

Shevkani, Khetan; Singh, Narpinder; Kaur, Amritpal; Rana, Jai Chand

2014-07-01

The present work was carried out to evaluate physicochemical (composition, hunter color, and sodium dodecyl sulfate-polyacrylamide gel electrophoresis [SDS-PAGE]), pasting, and functional properties (foaming, emulsification, water, and fat absorption capacity) of amaranth full-fat flours from 6 lines/cultivars (AFs), and to see the effects of lipid removal/defatting on these properties. Protein, ash, and lipid content of AFs ranged between 12.5% to 15.2%, 3.0% to 3.5%, and 7.1% to 8.0%, respectively. The flours showed a number of bands between 97 and 7 kDa, with main subunits of approximately 58, 37, 33, 31, 23, and 16 kDa in the SDS-PAGE profiles. The protein content and L* value increased, while b* values decreased following defatting for most of the lines/cultivars. The defatted flours (DAFs) had higher final viscosity and stability (lower breakdown viscosity) as compared to counterpart AFs. The protein profiling of the flours was not affected with the lipid removal/defatting. However, water absorption capacity and foam stability of the flours improved upon defatting. Principal component analysis revealed that pasting temperature was positively related to lipid content, while breakdown viscosity was negatively related to protein content. Foaming properties (capacity and stability) showed negative relationship with lipid content, and positive with protein content, ash content, water, and fat absorption capacity. Amaranth grains are known to have higher amount of proteins and lipids than cereals. Amaranth lipids are rich in unsaturated fatty acids, which are prone to oxidative rancidity. Removal of lipids or defatting of flours may be carried out to enhance product shelf life by preventing undesirable oxidative chain reactions. Therefore, this research was undertaken to see the effects of defatting on the functional properties of amaranth flours. The defatting was a value addition process as it improved the functional properties of the flours. © 2014 Institute of Food Technologists®

Coexpression of the High Molecular Weight Glutenin Subunit 1Ax1 and Puroindoline Improves Dough Mixing Properties in Durum Wheat (Triticum turgidum L. ssp. durum)

PubMed Central

Li, Xiaoyan; Xiao, Xin; Sun, Fusheng; Wang, Cheng; Hu, Wei; Feng, Zhijuan; Chang, Junli; Chen, Mingjie; Wang, Yuesheng; Li, Kexiu; Yang, Guangxiao; He, Guangyuan

2012-01-01

Wheat end-use quality mainly derives from two interrelated characteristics: the compositions of gluten proteins and grain hardness. The composition of gluten proteins determines dough rheological properties and thus confers the unique viscoelastic property on dough. One group of gluten proteins, high molecular weight glutenin subunits (HMW-GS), plays an important role in dough functional properties. On the other hand, grain hardness, which influences the milling process of flour, is controlled by Puroindoline a (Pina) and Puroindoline b (Pinb) genes. However, little is known about the combined effects of HMW-GS and PINs on dough functional properties. In this study, we crossed a Pina-expressing transgenic line with a 1Ax1-expressing line of durum wheat and screened out lines coexpressing 1Ax1 and Pina or lines expressing either 1Ax1 or Pina. Dough mixing analysis of these lines demonstrated that expression of 1Ax1 improved both dough strength and over-mixing tolerance, while expression of PINA detrimentally affected the dough resistance to extension. In lines coexpressing 1Ax1 and Pina, faster hydration of flour during mixing was observed possibly due to the lower water absorption and damaged starch caused by PINA expression. In addition, expression of 1Ax1 appeared to compensate the detrimental effect of PINA on dough resistance to extension. Consequently, coexpression of 1Ax1 and PINA in durum wheat had combined effects on dough mixing behaviors with a better dough strength and resistance to extension than those from lines expressing either 1Ax1 or Pina. The results in our study suggest that simultaneous modulation of dough strength and grain hardness in durum wheat could significantly improve its breadmaking quality and may not even impair its pastamaking potential. Therefore, coexpression of 1Ax1 and PINA in durum wheat has useful implications for breeding durum wheat with dual functionality (for pasta and bread) and may improve the economic values of durum wheat. PMID:23185532

Coexpression of the high molecular weight glutenin subunit 1Ax1 and puroindoline improves dough mixing properties in durum wheat (Triticum turgidum L. ssp. durum).

PubMed

Li, Yin; Wang, Qiong; Li, Xiaoyan; Xiao, Xin; Sun, Fusheng; Wang, Cheng; Hu, Wei; Feng, Zhijuan; Chang, Junli; Chen, Mingjie; Wang, Yuesheng; Li, Kexiu; Yang, Guangxiao; He, Guangyuan

2012-01-01

Wheat end-use quality mainly derives from two interrelated characteristics: the compositions of gluten proteins and grain hardness. The composition of gluten proteins determines dough rheological properties and thus confers the unique viscoelastic property on dough. One group of gluten proteins, high molecular weight glutenin subunits (HMW-GS), plays an important role in dough functional properties. On the other hand, grain hardness, which influences the milling process of flour, is controlled by Puroindoline a (Pina) and Puroindoline b (Pinb) genes. However, little is known about the combined effects of HMW-GS and PINs on dough functional properties. In this study, we crossed a Pina-expressing transgenic line with a 1Ax1-expressing line of durum wheat and screened out lines coexpressing 1Ax1 and Pina or lines expressing either 1Ax1 or Pina. Dough mixing analysis of these lines demonstrated that expression of 1Ax1 improved both dough strength and over-mixing tolerance, while expression of PINA detrimentally affected the dough resistance to extension. In lines coexpressing 1Ax1 and Pina, faster hydration of flour during mixing was observed possibly due to the lower water absorption and damaged starch caused by PINA expression. In addition, expression of 1Ax1 appeared to compensate the detrimental effect of PINA on dough resistance to extension. Consequently, coexpression of 1Ax1 and PINA in durum wheat had combined effects on dough mixing behaviors with a better dough strength and resistance to extension than those from lines expressing either 1Ax1 or Pina. The results in our study suggest that simultaneous modulation of dough strength and grain hardness in durum wheat could significantly improve its breadmaking quality and may not even impair its pastamaking potential. Therefore, coexpression of 1Ax1 and PINA in durum wheat has useful implications for breeding durum wheat with dual functionality (for pasta and bread) and may improve the economic values of durum wheat.

Boron doping effect on the interface interaction and mechanical properties of graphene reinforced copper matrix composite

NASA Astrophysics Data System (ADS)

Fang, Bingcheng; Li, Jiajun; Zhao, Naiqin; Shi, Chunsheng; Ma, Liying; He, Chunnian; He, Fang; Liu, Enzuo

2017-12-01

In order to explore an efficient way of modifying graphene to improve the Cu/graphene interfacial bonding and remain the excellent mechanical and physical properties of graphene, the interaction between Cu and the pristine, atomic oxygen functionalized and boron- or nitrogen-doped graphene with and without defects was systematically investigated by density functional theory calculation. The electronic structure analysis revealed that the chemically active oxygen can enhance the binding energy Eb of Cu with graphene by forming strong covalent bonds, supporting the experimental study suggesting an vital role of intermediate oxygen in the improvement of the mechanical properties of graphene/Cu composites. Due to the strong hybridization between Cu-3d electron states and the 2p states of both boron and carbon atoms, the boron-doping effect is comparable to or even better than the chemical bridging role of oxygen in the reduced graphene oxide reinforced Cu matrix composite. Furthermore, we evidenced an enhancement of mechanical properties including bulk modulus, shear modulus and Young modulus of graphene/Cu composite after boron doping, which closely relates to the increased interfacial binding energy between boron-doped graphene and Cu surfaces.

Physicochemical, functional, and nutritional characteristics of stabilized rice bran form tarom cultivar.

PubMed

Rafe, Ali; Sadeghian, Alireza; Hoseini-Yazdi, Seyedeh Zohreh

2017-05-01

Extrusion is a multistep thermal process which has been utilized in a wide spectrum of food preparations. The effect of extrusion processing on the physicochemical, nutritional, and functional properties of Tarom cultivar rice bran was studied. However, the color of rice bran was improved by extrusion processing, but the protein content was reduced in the stabilized rice bran, which can be related to the denaturation of protein. Extrusion had also a reduction significant effect on the phytic acid as well as vitamin E in rice bran. However, the content of niacin, riboflavin, pantothenic acid, and folic acid remained unchanged, but the dietary fiber was enhanced which has beneficial health effect on human consumption. In comparison with unstabilized rice bran, water holding capacity was enhanced, but the oil absorption capacity was reduced. Foaming capacity and foaming stability of extruded rice bran was more than that of untreated rice bran, although they were less than that of rice bran protein concentrate/isolate. In general, the extrusion process improves some functional and nutritional properties of rice bran which are valuable to industrial applications and have potential as ingredient in food to improve consumer health.

Nanocomposites biodegradable coating on BOPET films to enhance hot seal strength properties

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

Barbaro, G., E-mail: giovannibarbaro@email.it; Galdi, M. R., E-mail: mrgaldi@unisa.it; Di Maio, L., E-mail: ldimaio@unisa.it

2015-12-17

The coating technology is a strategic solution to improve the properties of flexible packaging films. Indeed, additional functional layers are often designed and added as coating on the substrate, in order to improve the characteristic of the flexible packaging and to meet the requirements for the desired gas or vapour barrier, for adhesion and sealing, or for improving the film printability, its aesthetics and durability. Moreover, this technology allows to functionalize a polymeric substrate applying materials with different chemistry, rheology, thermal and structural characteristics. BOPET films are widely used for food packaging applications thanks to their good gas barrier andmore » mechanical properties, high transparency and for the excellent printability. In regard to sealing performance, BOPET films show poor sealing properties so they are mostly submitted to lamination processes with polyethylene. Nevertheless, this solution compromises the PET recyclability and influences the gas permeability of the multilayer PET based structures. The aim of this work is to investigate on the effect of nanocomposite biodegradable coatings for BOPET substrates in enhancing the heat sealing strength of eco-compatible PET/PLA films. At this regards, different percentages of Cloisite C30B (0%, 2% and 4%{sub wt/wt}) have been added to PLA by solution intercalation technique and the nanocomposite biodegradable materials produced have been applied on BOPET commercial films by casting. The BOPET coated films have been characterized in order to evaluate the heat sealing strength and the mechanical, gas permeability and surface properties. The results have shown that the addition of nanoclay in PLA coating significantly enhance the hot tack properties of the PET/PLA system produced, while the oxygen and water vapour permeability are slightly increased if compared to pure BOPET films.« less

Nanocomposites biodegradable coating on BOPET films to enhance hot seal strength properties

NASA Astrophysics Data System (ADS)

Barbaro, G.; Galdi, M. R.; Di Maio, L.; Incarnato, L.

2015-12-01

The coating technology is a strategic solution to improve the properties of flexible packaging films. Indeed, additional functional layers are often designed and added as coating on the substrate, in order to improve the characteristic of the flexible packaging and to meet the requirements for the desired gas or vapour barrier, for adhesion and sealing, or for improving the film printability, its aesthetics and durability. Moreover, this technology allows to functionalize a polymeric substrate applying materials with different chemistry, rheology, thermal and structural characteristics. BOPET films are widely used for food packaging applications thanks to their good gas barrier and mechanical properties, high transparency and for the excellent printability. In regard to sealing performance, BOPET films show poor sealing properties so they are mostly submitted to lamination processes with polyethylene. Nevertheless, this solution compromises the PET recyclability and influences the gas permeability of the multilayer PET based structures. The aim of this work is to investigate on the effect of nanocomposite biodegradable coatings for BOPET substrates in enhancing the heat sealing strength of eco-compatible PET/PLA films. At this regards, different percentages of Cloisite C30B (0%, 2% and 4%wt/wt) have been added to PLA by solution intercalation technique and the nanocomposite biodegradable materials produced have been applied on BOPET commercial films by casting. The BOPET coated films have been characterized in order to evaluate the heat sealing strength and the mechanical, gas permeability and surface properties. The results have shown that the addition of nanoclay in PLA coating significantly enhance the hot tack properties of the PET/PLA system produced, while the oxygen and water vapour permeability are slightly increased if compared to pure BOPET films.

Differences in fundamental and functional properties of HPMC co-processed fillers prepared by fluid-bed coating and spray drying.

PubMed

Dong, QianQian; Zhou, MiaoMiao; Lin, Xiao; Shen, Lan; Feng, Yi

2018-07-01

This study aimed to develop novel co-processed tablet fillers based on the principle of particle engineering for direct compaction and to compare the characteristics of co-processed products obtained by fluid-bed coating and co-spray drying, respectively. Water-soluble mannitol and water-insoluble calcium carbonate were selected as representative fillers for this study. Hydroxypropyl methylcellulose (HPMC), serving as a surface property modifier, was distributed on the surface of primary filler particles via the two co-processing methods. Both fundamental and functional properties of the products were comparatively investigated. The results showed that functional properties of the fillers, like flowability, compactibility, and drug-loading capacity, were effectively improved by both co-processing methods. However, fluid-bed coating showed greater advantages over co-spray drying in some aspects, which was mainly attributed to the remarkable differences in some fundamental properties of co-processed powders, like particle size, surface topology, and particle structure. For example, the more irregular surface and porous structure induced by fluid-bed coating could contribute to better compaction properties and lower lubricant sensitivity due to the increasing contact area and mechanical interlocking between particles under pressure. More effective surface distribution of HPMC during fluid-bed coating was also a contributor. In addition, such a porous agglomerate structure could also reduce the separation of drug and excipients after mixing, resulting in the improvement in drug loading capacity and tablet uniformity. In summary, fluid-bed coating appears to be more promising for co-processing than spray drying in some aspects, and co-processed excipients produced by it have a great prospect for further investigations and development. Copyright © 2018 Elsevier B.V. All rights reserved.

Structure–property relationships in hybrid dental nanocomposite resins containing monofunctional and multifunctional polyhedral oligomeric silsesquioxanes

PubMed Central

Wang, Weiguo; Sun, Xiang; Huang, Li; Gao, Yu; Ban, Jinghao; Shen, Lijuan; Chen, Jihua

2014-01-01

Organic-inorganic hybrid materials, such as polyhedral oligomeric silsesquioxanes (POSS), have the potential to improve the mechanical properties of the methacrylate-based composites and resins used in dentistry. In this article, nanocomposites of methacryl isobutyl POSS (MI-POSS [bears only one methacrylate functional group]) and methacryl POSS (MA-POSS [bears eight methacrylate functional groups]) were investigated to determine the effect of structures on the properties of dental resin. The structures of the POSS-containing networks were determined by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy. Monofunctional POSS showed a strong tendency toward aggregation and crystallization, while multifunctional POSS showed higher miscibility with the dimethacrylate monomer. The mechanical properties and wear resistance decreased with increasing amounts of MI-POSS, indicating that the MI-POSS agglomerates act as the mechanical weak point in the dental resins. The addition of small amounts of MA-POSS improved the mechanical and shrinkage properties. However, samples with a higher MA-POSS concentration showed lower flexural strength and flexural modulus, indicating that there is a limited range in which the reinforcement properties of MA-POSS can operate. This concentration dependence is attributed to phase separation at higher concentrations of POSS, which affects the structural integrity, and thus, the mechanical and shrinkage properties of the dental resin. Our results show that resin with 3% MA-POSS is a potential candidate for resin-based dental materials. PMID:24550674

Structure-property relationships in hybrid dental nanocomposite resins containing monofunctional and multifunctional polyhedral oligomeric silsesquioxanes.

PubMed

Wang, Weiguo; Sun, Xiang; Huang, Li; Gao, Yu; Ban, Jinghao; Shen, Lijuan; Chen, Jihua

2014-01-01

Organic-inorganic hybrid materials, such as polyhedral oligomeric silsesquioxanes (POSS), have the potential to improve the mechanical properties of the methacrylate-based composites and resins used in dentistry. In this article, nanocomposites of methacryl isobutyl POSS (MI-POSS [bears only one methacrylate functional group]) and methacryl POSS (MA-POSS [bears eight methacrylate functional groups]) were investigated to determine the effect of structures on the properties of dental resin. The structures of the POSS-containing networks were determined by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy. Monofunctional POSS showed a strong tendency toward aggregation and crystallization, while multifunctional POSS showed higher miscibility with the dimethacrylate monomer. The mechanical properties and wear resistance decreased with increasing amounts of MI-POSS, indicating that the MI-POSS agglomerates act as the mechanical weak point in the dental resins. The addition of small amounts of MA-POSS improved the mechanical and shrinkage properties. However, samples with a higher MA-POSS concentration showed lower flexural strength and flexural modulus, indicating that there is a limited range in which the reinforcement properties of MA-POSS can operate. This concentration dependence is attributed to phase separation at higher concentrations of POSS, which affects the structural integrity, and thus, the mechanical and shrinkage properties of the dental resin. Our results show that resin with 3% MA-POSS is a potential candidate for resin-based dental materials.

Effects of Cordyceps militaris (L.) Fr. fermentation on the nutritional, physicochemical, functional properties and angiotensin I converting enzyme inhibitory activity of red bean (Phaseolus angularis [Willd.] W.F. Wight.) flour.

PubMed

Xiao, Yu; Sun, Mingmei; Zhang, Qiuqin; Chen, Yulian; Miao, Junqing; Rui, Xin; Dong, Mingsheng

2018-04-01

The effects of solid-state fermentation with Cordyceps militaris (L.) Fr. on the nutritional, physicochemical, and functional properties as well as angiotensin I converting enzyme (ACE) inhibitory activity of red bean ( Phaseolus angularis [Willd.] W.F. Wight.) flour were determined. Fermentation increased the amount of small peptides but significantly decreased large peptides. Fermentation also increased proteins and essential amino acids (by 9.31 and 13.89%, respectively) and improved the in vitro protein digestibility (6.54%) of red beans. Moreover, fermentation increased the water holding capacity (from 2.36 to 2.59 mL/g), fat absorption capacity (from 84.65 to 114.55%), emulsion activity (from 10.96 to 52.77%), emulsion stability (from 5.43 to 53.82%), and foaming stability (from 11.95 to 20.68%). Fermented red bean flour achieved a lower least gelation concentration of 14% than that of the control (18%). In contrast to the non-fermented red bean, the fermented red bean showed ACE inhibitory activity, with IC 50 value of 0.63 mg protein/mL. Overall, fermentation improved the nutritional, physicochemical, and functional properties as well as the biological activity of red bean flour. Thus, fermented red bean flour may serve as a novel nutritional and functional ingredient for applications in food design.

The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

PubMed Central

Ma, Jin-Gang; Zhang, Cai-Rong; Gong, Ji-Jun; Wu, You-Zhi; Kou, Sheng-Zhong; Yang, Hua; Chen, Yu-Hong; Liu, Zi-Jiang; Chen, Hong-Shan

2015-01-01

Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs) to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region. PMID:28793520

The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation.

PubMed

Ma, Jin-Gang; Zhang, Cai-Rong; Gong, Ji-Jun; Wu, You-Zhi; Kou, Sheng-Zhong; Yang, Hua; Chen, Yu-Hong; Liu, Zi-Jiang; Chen, Hong-Shan

2015-08-24

Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs) to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

Carbon-based sputtered coatings for enhanced chitosan-based films properties

NASA Astrophysics Data System (ADS)

Fernandes, C.; Calderon V., S.; Ballesteros, Lina F.; Cerqueira, Miguel A.; Pastrana, L. M.; Teixeira, José A.; Ferreira, P. J.; Carvalho, S.

2018-03-01

In order to make bio-based packaging materials competitive in comparison to petroleum-based one, some of their properties need to be improved, among which gas permeability is of crucial importance. Thus, in this work, carbon-based coatings were applied on chitosan-based films by radiofrequency reactive magnetron sputtering aiming to improve their barrier properties. Chemical and morphological properties were evaluated in order to determine the effect of the coatings on the chemical structure, surface hydrophobicity and barrier properties of the system. Chemical analysis, performed by electron energy loss spectroscopy and Fourier transform infrared spectroscopy, suggests similar chemical characteristics among all coatings although higher incorporation of hydrogen as the acetylene flux increases was observed. On the other hand, scanning transmission electron microscopy revealed that the porosity of the carbon layer can be tailored by the acetylene flux. More importantly, the chitosan oxygen permeability showed a monotonic reduction as a function of the acetylene flux. This study opens up new opportunities to apply nanostructured coatings on bio-based polymer for enhanced oxygen barrier properties.

Bio-functional properties of sardine protein hydrolysates obtained by brewer's spent yeast and commercial proteases.

PubMed

Vieira, Elsa F; Pinho, Olívia; Ferreira, Isabel Mplvo

2017-12-01

The canned-sardine industry generates large amounts of protein-rich waste, which demands useful exploitation. This paper describes the potential use of muscle and viscera proteins from canned sardine by-products as substrate to obtain hydrolysates with biological and functional properties. Three enzymatic approaches, brewer's spent yeast (Bsy) proteases, Alcalase® and Neutrase® were applied to perform protein hydrolysis at the same proteolytic activity (1 U mL -1 ), using an enzyme/substrate ratio of 20% (v/v), at 50°C and for 7 h. Hydrolysis degree (DH), antioxidant and angiotensin I-converting enzyme inhibitory (ACE-I) activities, functional properties (i.e. solubility, emulsifying and foaming properties, water and oil binding capacity) and colour were investigated. All hydrolysates presented a high protein content [52.7-83.2% dry weight (DW)] and low fat content (0.9-3.9% DW). Alcalase® treatment of muscle and viscera proteins resulted in higher DH (7.5% and 8.6%, respectively) and higher biological activities (P < 0.05). All hydrolysates had excellent solubility and presented functional properties. Among viscera hydrolysates, treatment with Bsy proteases promoted higher emulsion (80.1 m 2 g -1 ), foaming (79.2%) and oil binding capacity (5.8 g g -1 ) of viscera sardine proteins. Improved biological and functional properties were observed for sardine protein hydrolysates produced using the three enzymatic treatments tested. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation.

PubMed

Shokuhfar, Ali; Arab, Behrouz

2013-09-01

Recently, great attention has been focused on using epoxy polymers in different fields such as aerospace, automotive, biotechnology, and electronics, owing to their superior properties. In this study, the classical molecular dynamics (MD) was used to simulate the cross linking of diglycidyl ether of bisphenol-A (DGEBA) with diethylenetriamine (DETA) curing agent, and to study the behavior of resulted epoxy polymer with different conversion rates. The constant-strain (static) approach was then applied to calculate the mechanical properties (Bulk, shear and Young's moduli, elastic stiffness constants, and Poisson's ratio) of the uncured and cross-linked systems. Estimated material properties were found to be in good agreement with experimental observations. Moreover, the dependency of mechanical properties on the cross linking density was investigated and revealed improvements in the mechanical properties with increasing the cross linking density. The radial distribution function (RDF) was also used to study the evolution of local structures of the simulated systems as a function of cross linking density.

Calculation of spin-densities within the context of density functional theory. The crucial role of the correlation functional

NASA Astrophysics Data System (ADS)

Filatov, Michael; Cremer, Dieter

2005-09-01

It is demonstrated that the LYP correlation functional is not suited to be used for the calculation of electron spin resonance hyperfine structure (HFS) constants, nuclear magnetic resonance spin-spin coupling constants, magnetic, shieldings and other properties that require a balanced account of opposite- and equal-spin correlation, especially in the core region. In the case of the HFS constants of alkali atoms, LYP exaggerates opposite-spin correlation effects thus invoking too strong in-out correlation effects, an exaggerated spin-polarization pattern in the core shells of the atoms, and, consequently, too large HFS constants. Any correlation functional that provides a balanced account of opposite- and equal-spin correlation leads to improved HFS constants, which is proven by comparing results obtained with the LYP and the PW91 correlation functional. It is suggested that specific response properties are calculated with the PW91 rather than the LYP correlation functional.

Simultaneous optimization of biomolecular energy function on features from small molecules and macromolecules

PubMed Central

Park, Hahnbeom; Bradley, Philip; Greisen, Per; Liu, Yuan; Mulligan, Vikram Khipple; Kim, David E.; Baker, David; DiMaio, Frank

2017-01-01

Most biomolecular modeling energy functions for structure prediction, sequence design, and molecular docking, have been parameterized using existing macromolecular structural data; this contrasts molecular mechanics force fields which are largely optimized using small-molecule data. In this study, we describe an integrated method that enables optimization of a biomolecular modeling energy function simultaneously against small-molecule thermodynamic data and high-resolution macromolecular structural data. We use this approach to develop a next-generation Rosetta energy function that utilizes a new anisotropic implicit solvation model, and an improved electrostatics and Lennard-Jones model, illustrating how energy functions can be considerably improved in their ability to describe large-scale energy landscapes by incorporating both small-molecule and macromolecule data. The energy function improves performance in a wide range of protein structure prediction challenges, including monomeric structure prediction, protein-protein and protein-ligand docking, protein sequence design, and prediction of the free energy changes by mutation, while reasonably recapitulating small-molecule thermodynamic properties. PMID:27766851

Developing Novel Protein-based Materials using Ultrabithorax: Production, Characterization, and Functionalization

NASA Astrophysics Data System (ADS)

Huang, Zhao

2011-12-01

Compared to 'conventional' materials made from metal, glass, or ceramics, protein-based materials have unique mechanical properties. Furthermore, the morphology, mechanical properties, and functionality of protein-based materials may be optimized via sequence engineering for use in a variety of applications, including textile materials, biosensors, and tissue engineering scaffolds. The development of recombinant DNA technology has enabled the production and engineering of protein-based materials ex vivo. However, harsh production conditions can compromise the mechanical properties of protein-based materials and diminish their ability to incorporate functional proteins. Developing a new generation of protein-based materials is crucial to (i) improve materials assembly conditions, (ii) create novel mechanical properties, and (iii) expand the capacity to carry functional protein/peptide sequences. This thesis describes development of novel protein-based materials using Ultrabithorax, a member of the Hox family of proteins that regulate developmental pathways in Drosophila melanogaster. The experiments presented (i) establish the conditions required for the assembly of Ubx-based materials, (ii) generate a wide range of Ubx morphologies, (iii) examine the mechanical properties of Ubx fibers, (iv) incorporate protein functions to Ubx-based materials via gene fusion, (v) pattern protein functions within the Ubx materials, and (vi) examine the biocompatibility of Ubx materials in vitro. Ubx-based materials assemble at mild conditions compatible with protein folding and activity, which enables Ubx chimeric materials to retain the function of appended proteins in spatial patterns determined by materials assembly. Ubx-based materials also display mechanical properties comparable to existing protein-based materials and demonstrate good biocompatibility with living cells in vitro. Taken together, this research demonstrates the unique features and future potential of novel Ubx-based materials.

Collagen/heparin sulfate scaffolds fabricated by a 3D bioprinter improved mechanical properties and neurological function after spinal cord injury in rats.

PubMed

Chen, Chong; Zhao, Ming-Liang; Zhang, Ren-Kun; Lu, Gang; Zhao, Chang-Yu; Fu, Feng; Sun, Hong-Tao; Zhang, Sai; Tu, Yue; Li, Xiao-Hong

2017-05-01

Effective treatments promoting axonal regeneration and functional recovery for spinal cord injury (SCI) are still in the early stages of development. Most approaches have been focused on providing supportive substrates for guiding neurons and overcoming the physical and chemical barriers to healing that arise after SCI. Although collagen has become a promising natural substrate with good compatibility, its low mechanical properties restrict its potential applications. The mechanical properties mainly rely on the composition and pore structure of scaffolds. For the composition of a scaffold, we used heparin sulfate to react with collagen by crosslinking. For the structure, we adopted a three-dimensional (3D) printing technology to fabricate a scaffold with a uniform pore distributions. We observed that the internal structure of the scaffold printed with a 3D bioprinter was regular and porous. We also found that both the compression modulus and strengths of the scaffold were significantly enhanced by the collagen/heparin sulfate composition compared to a collagen scaffold. Meanwhile, the collagen/heparin sulfate scaffold presented good biocompatibility when it was co-cultured with neural stem cells in vitro. We also demonstrated that heparin sulfate modification significantly improved bFGF immobilization and absorption to the collagen by examining the release kinetics of bFGF from scaffolds. Two months after implantating the scaffold into transection lesions in T10 of the spinal cord in rats, the collagen/heparin sulfate group demonstrated significant recovery of locomotor function and according to electrophysiological examinations. Parallel to functional recovery, collagen/heparin sulfate treatment further ameliorated the pathological process and markedly increased the number of neurofilament (NF) positive cells compared to collagen treatment alone. These data suggested that a collagen/heparin sulfate scaffold fabricated by a 3D bioprinter could enhance the mechanical properties of collagen and provide continuous guidance channels for axons, which would improve the neurological function after SCI. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 1324-1332, 2017. © 2017 Wiley Periodicals, Inc.

On the importance of local orbitals using second energy derivatives for d and f electrons

NASA Astrophysics Data System (ADS)

Karsai, Ferenc; Tran, Fabien; Blaha, Peter

2017-11-01

The all-electron linearized augmented plane wave (LAPW) methods are among the most accurate to solve the Kohn-Sham equations of density functional theory for periodic solids. In the LAPW methods, the unit cell is partitioned into spheres surrounding the atoms, inside which the wave functions are expanded into spherical harmonics, and the interstitial region, where the wave functions are expanded in Fourier series. Recently, Michalicek et al. (2013) reported an analysis of the so-called linearization error, which is inherent to the basis functions inside the spheres, and advocated the use of local orbital basis functions involving the second energy derivative of the radial part (HDLO). In the present work, we report the implementation of such basis functions into the WIEN2k code, and discuss in detail the improvement in terms of accuracy. From our tests, which involve atoms from the whole periodic table, it is concluded that for ground-state properties (e.g., equilibrium volume) the use of HDLO is necessary only for atoms with d or f electrons in the valence and large atomic spheres. For unoccupied states which are not too high above the Fermi energy, HDLO systematically improve the band structure, which may be of importance for the calculation of optical properties.

Carbon Nano Tube Composites with Chemically Functionalized Plant Oils

NASA Astrophysics Data System (ADS)

Thielemans, Wim; Wool, Richard P.; Blau, Werner; Barron, Valerie

2003-03-01

Carbon Nano Tube Composites with Chemically Functionalized Plant Oil Wim Thielemans, R., P. Wool, V. Barron and W. Blau Multi-Wall Carbon Nano Tubes (MWCNT) made by the Kratchmer-Huffman CCVD process were found to interact and solubilize by slow mechanical stirring, with chemically functionalized plant oils, such as acrylated, epoxidized and maleinated triglycerides (TG) derived from plant oils. The chemical functionality on the TG imparted amphiphilic properties to the oils which allows them to self-assemble on the nanotubes, promoting both dissolution and the ability to make nanocomposites with unusual properties. Once in solution, the MWCT can be processed in a variety of methods, in particular to make composites with enhanced mechanical, fracture and thermal properties. Since the tensile modulus of MWs is about 1 TPa and a vector percolation analysis indicated tensile strengths of 50-100 GPa, we obtain significantly improved properties with even small amounts (1-3the glass transition temperature of the composite by about 20 oC, and the tensile modulus by about 11significant effects on the fracture stress can be obtained due to the both the influence of the strength and length of the MWNT at the crack tip. The ability of the oils to self-assemble on the carbon nanotube surfaces also makes them ideal candidates for self-healing materials. The properties with different functionalized oils will be reported. Supported by EPA, DoE and ISF

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

NASA Astrophysics Data System (ADS)

Hu, Fengshuo

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

Cellulosic/wool pigment prints with remarkable antibacterial functionalities.

PubMed

Ibrahim, N A; Eid, B M; Khalil, H M

2015-01-22

Several bio-active agents namely choline chloride, triclosan derivative, PEG-600 and 4-hydroxybenzophenone were successfully included into solvent-free pigment formulations, in a single-stage process, followed by screen printing and microwave-fixation to obtain antibacterial functionalized cellulosic/wool pigment prints. Results obtained signify that both the improvement in functionalization and coloration properties are governed by type of antibacterial agent, kind of substrate as well as pigment colorant. The imparted antibacterial activity of the loaded bio-active agents follows the decreasing order: G+ve (Staphylococcus aureus)>G-ve (Escherichia coli), keeping other parameters constant. The imparted functional and coloration properties showed no significant decrease even after 15 washings. Mode of interactions among the nominated substrates, the pigment paste constituents and the bioactive agents were also proposed. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

Berry, Ryan S.; Adolf, Douglas Brian; Stavig, Mark Edwin

Variations in the neutron generator encapsulation process can affect functionality. However, instead of following the historical path in which the effects of process variations are assessed directly through functional tests, this study examines how material properties key to generator functionality correlate with process variations. The results of this type of investigation will be applicable to all generators and can provide insight on the most profitable paths to process and material improvements. Surprisingly, the results at this point imply that the process is quite robust, and many of the current process tolerances are perhaps overly restrictive. The good news lies inmore » the fact that our current process ensures reproducible material properties. The bad new lies in the fact that it would be difficult to solve functional problems by changes in the process.« less

Psychometrics of Multiple Choice Questions with Non-Functioning Distracters: Implications to Medical Education.

PubMed

Deepak, Kishore K; Al-Umran, Khalid Umran; AI-Sheikh, Mona H; Dkoli, B V; Al-Rubaish, Abdullah

2015-01-01

The functionality of distracters in a multiple choice question plays a very important role. We examined the frequency and impact of functioning and non-functioning distracters on psychometric properties of 5-option items in clinical disciplines. We analyzed item statistics of 1115 multiple choice questions from 15 summative assessments of undergraduate medical students and classified the items into five groups by their number of non-functioning distracters. We analyzed the effect of varying degree of non-functionality ranging from 0 to 4, on test reliability, difficulty index, discrimination index and point biserial correlation. The non-functionality of distracters inversely affected the test reliability and quality of items in a predictable manner. The non-functioning distracters made the items easier and lowered the discrimination index significantly. Three non-functional distracters in a 5-option MCQ significantly affected all psychometric properties (p < 0.5). The corrected point biserial correlation revealed that the items with 3 functional options were psychometrically as effective as 5-option items. Our study reveals that a multiple choice question with 3 functional options provides lower most limit of item format that has adequate psychometric property. The test containing items with less number of functioning options have significantly lower reliability. The distracter function analysis and revision of nonfunctioning distracters can serve as important methods to improve the psychometrics and reliability of assessment.

Applicability of vacuum impregnation to modify physico-chemical, sensory and nutritive characteristics of plant origin products--a review.

PubMed

Radziejewska-Kubzdela, Elżbieta; Biegańska-Marecik, Róża; Kidoń, Marcin

2014-09-19

Vacuum impregnation is a non-destructive method of introducing a solution with a specific composition to the porous matrices of fruit and vegetables. Mass transfer in this process is a result of mechanically induced differences in pressure. Vacuum impregnation makes it possible to fill large volumes of intercellular spaces in tissues of fruit and vegetables, thus modifying physico-chemical properties and sensory attributes of products. This method may be used, e.g., to reduce pH and water activity of the product, change its thermal properties, improve texture, color, taste and aroma. Additionally, bioactive compounds may be introduced together with impregnating solutions, thus improving health-promoting properties of the product or facilitating production of functional food.

Improved mechanical and electrical properties in electrospun polyimide/multiwalled carbon nanotubes nanofibrous composites

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

Zha, Jun-Wei; Sun, Fang; Wang, Si-Jiao

2014-10-07

Highly aligned polyimide (PI) and PI/multi-walled carbon nanotubes (PI/MWCNTs) nanofibrous composites by incorporating poly(ethylene oxide) as the dispersing medium were fabricated using electrospinning technique. The morphology, mechanical, and electrical properties of the electrospun nanofibrous composites were investigated. Scanning electron microscope showed that the functionalized MWCNTs (f-MWCNTs) were well dispersed and oriented along the nanofiber axis. Analysis of electrical properties indicated a remarkable improvement on the alternating current conductivity by introduction of the aligned f-MWCNTs. Besides, with addition of 3 vol. % f-MWCNTs, the obvious enhancement of tensile modulus and strength was achieved. Thus, the electrospun PI/MWCNTs nanofibrous composites have greatmore » potential applications in multifunctional engineering materials.« less

Positive effects of afforestation efforts on the health of urban soils

Treesearch

Emily E. Oldfield; Alexander J. Felson; Stephen A. Wood; Richard A. Hallett; Michael S. Strickland; Mark A. Bradford

2014-01-01

Large-scale tree planting projects in cities are increasingly implemented as a strategy to improve the urban environment. Trees provide multiple benefits in cities, including reduction of urban temperatures, improved air quality, mitigation of storm-water run-off, and provision of wildlife habitat. How urban afforestation affects the properties and functions of urban...

Soil organic matter as sole indicator of soil degradation

Treesearch

S.E. Obalum; G.U. Chibuike; S. Peth; Ying Ouyang

2017-01-01

Soil organic matter (SOM) is known to play vital roles in the maintenance and improvement of many soil properties and processes. These roles, which largely influence soil functions, are a pool of specific contributions of different components of SOM. The soil functions, in turn, normally define the level of soil degradation, viewed as quantifiable temporal changes in a...

Method of improving field emission characteristics of diamond thin films

DOEpatents

Krauss, A.R.; Gruen, D.M.

1999-05-11

A method of preparing diamond thin films with improved field emission properties is disclosed. The method includes preparing a diamond thin film on a substrate, such as Mo, W, Si and Ni. An atmosphere of hydrogen (molecular or atomic) can be provided above the already deposited film to form absorbed hydrogen to reduce the work function and enhance field emission properties of the diamond film. In addition, hydrogen can be absorbed on intergranular surfaces to enhance electrical conductivity of the diamond film. The treated diamond film can be part of a microtip array in a flat panel display. 3 figs.

Method of improving field emission characteristics of diamond thin films

DOEpatents

Krauss, Alan R.; Gruen, Dieter M.

1999-01-01

A method of preparing diamond thin films with improved field emission properties. The method includes preparing a diamond thin film on a substrate, such as Mo, W, Si and Ni. An atmosphere of hydrogen (molecular or atomic) can be provided above the already deposited film to form absorbed hydrogen to reduce the work function and enhance field emission properties of the diamond film. In addition, hydrogen can be absorbed on intergranular surfaces to enhance electrical conductivity of the diamond film. The treated diamond film can be part of a microtip array in a flat panel display.

Optimization of ADME Properties for Sulfonamides Leading to the Discovery of a T-Type Calcium Channel Blocker, ABT-639

PubMed Central

2015-01-01

The discovery of a novel peripherally acting and selective Cav3.2 T-type calcium channel blocker, ABT-639, is described. HTS hits 1 and 2, which have poor metabolic stability, were optimized to obtain 4, which has improved stability and oral bioavailability. Modification of 4 to further improve ADME properties led to the discovery of ABT-639. Following oral administration, ABT-639 produces robust antinociceptive activity in experimental pain models at doses that do not significantly alter psychomotor or hemodynamic function in the rat. PMID:26101566

Optimization of ADME Properties for Sulfonamides Leading to the Discovery of a T-Type Calcium Channel Blocker, ABT-639.

PubMed

Zhang, Qingwei; Xia, Zhiren; Joshi, Shailen; Scott, Victoria E; Jarvis, Michael F

2015-06-11

The discovery of a novel peripherally acting and selective Cav3.2 T-type calcium channel blocker, ABT-639, is described. HTS hits 1 and 2, which have poor metabolic stability, were optimized to obtain 4, which has improved stability and oral bioavailability. Modification of 4 to further improve ADME properties led to the discovery of ABT-639. Following oral administration, ABT-639 produces robust antinociceptive activity in experimental pain models at doses that do not significantly alter psychomotor or hemodynamic function in the rat.

Multifunctional Nanomaterials: Design, Synthesis and Application Properties.

PubMed

Martinelli, Marisa; Strumia, Miriam Cristina

2017-02-07

The immense scope of variation in dendritic molecules (hyper-branching, nano-sized, hydrophobicity/hydrophilicity, rigidity/flexibility balance, etc.) and their versatile functionalization, with the possibility of multivalent binding, permit the design of highly improved, novel materials. Dendritic-based materials are therefore viable alternatives to conventional polymers. The overall aim of this work is to show the advantages of dendronization processes by presenting the synthesis and characterization of three different dendronized systems: (I) microbeads of functionalized chitosan; (II) nanostructuration of polypropylene surfaces; and (III) smart dendritic nanogels. The particular properties yielded by these systems could only be achieved thanks to the dendronization process.

Multifunctional Nanostructured Conductive Polymer Gels: Synthesis, Properties, and Applications

DOE PAGES

Zhao, Fei; Shi, Ye; Pan, Lijia; ...

2017-06-26

Conductive polymers have attracted significant interest over the past few decades because they synergize the advantageous features of conventional polymeric materials and organic conductors. With rationally designed nanostructures, conductive polymers can further exhibit exceptional mechanical, electrical, and optical properties because of their confined dimensions at the nanoscale level. Among various nanostructured conductive polymers, conductive polymer gels (CPGs) with synthetically tunable hierarchical 3D network structures show great potential for a wide range of applications, such as bioelectronics, and energy storage/conversion devices owing to their structural features. CPGs retain the properties of nanosized conductive polymers during the assembly of the nanobuilding blocksmore » into a monolithic macroscopic structure while generating structure-derived features from the highly cross-linked network. In this Account, we review our recent progress on the synthesis, properties, and novel applications of dopant cross-linked CPGs. We first describe the synthetic strategies, in which molecules with multiple functional groups are adopted as cross-linkers to cross-link conductive polymer chains into a 3D molecular network. These cross-linking molecules also act as dopants to improve the electrical conductivity of the gel network. The microstructure and physical/chemical properties of CPGs can be tuned by controlling the synthetic conditions such as species of monomers and cross-linkers, reaction temperature, and solvents. By incorporating other functional polymers or particles into the CPG matrix, hybrid gels have been synthesized with tailored structures. These hybrid gel materials retain the functionalities from each component, as well as enable synergic effects to improve mechanical and electrical properties of CPGs. We then introduce the unique structure-derived properties of the CPGs. The network facilitates both electronic and ionic transport owing to the continuous pathways for electrons and hierarchical pores for ion diffusion. CPGs also provide high surface area and solvent compatibility, similar to natural gels. With these improved properties, CPGs have been explored to enable novel conceptual devices in diverse applications from smart electronics and ultrasensitive biosensors, to energy storage and conversion devices. CPGs have also been adopted for developing hybrid materials with multifunctionalities, such as stimuli responsiveness, self-healing properties, and super-repellency to liquid. With synthetically tunable physical/chemical properties, CPGs emerge as a unique material platform to develop novel multifunctional materials that have the potential to impact electronics, energy, and environmental technologies. Our hope is that this Account promotes further efforts toward synthetic control, fundamental investigation, and application exploration of CPGs.« less

Multifunctional Nanostructured Conductive Polymer Gels: Synthesis, Properties, and Applications

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

Zhao, Fei; Shi, Ye; Pan, Lijia

Conductive polymers have attracted significant interest over the past few decades because they synergize the advantageous features of conventional polymeric materials and organic conductors. With rationally designed nanostructures, conductive polymers can further exhibit exceptional mechanical, electrical, and optical properties because of their confined dimensions at the nanoscale level. Among various nanostructured conductive polymers, conductive polymer gels (CPGs) with synthetically tunable hierarchical 3D network structures show great potential for a wide range of applications, such as bioelectronics, and energy storage/conversion devices owing to their structural features. CPGs retain the properties of nanosized conductive polymers during the assembly of the nanobuilding blocksmore » into a monolithic macroscopic structure while generating structure-derived features from the highly cross-linked network. In this Account, we review our recent progress on the synthesis, properties, and novel applications of dopant cross-linked CPGs. We first describe the synthetic strategies, in which molecules with multiple functional groups are adopted as cross-linkers to cross-link conductive polymer chains into a 3D molecular network. These cross-linking molecules also act as dopants to improve the electrical conductivity of the gel network. The microstructure and physical/chemical properties of CPGs can be tuned by controlling the synthetic conditions such as species of monomers and cross-linkers, reaction temperature, and solvents. By incorporating other functional polymers or particles into the CPG matrix, hybrid gels have been synthesized with tailored structures. These hybrid gel materials retain the functionalities from each component, as well as enable synergic effects to improve mechanical and electrical properties of CPGs. We then introduce the unique structure-derived properties of the CPGs. The network facilitates both electronic and ionic transport owing to the continuous pathways for electrons and hierarchical pores for ion diffusion. CPGs also provide high surface area and solvent compatibility, similar to natural gels. With these improved properties, CPGs have been explored to enable novel conceptual devices in diverse applications from smart electronics and ultrasensitive biosensors, to energy storage and conversion devices. CPGs have also been adopted for developing hybrid materials with multifunctionalities, such as stimuli responsiveness, self-healing properties, and super-repellency to liquid. With synthetically tunable physical/chemical properties, CPGs emerge as a unique material platform to develop novel multifunctional materials that have the potential to impact electronics, energy, and environmental technologies. Our hope is that this Account promotes further efforts toward synthetic control, fundamental investigation, and application exploration of CPGs.« less

Multifunctional Nanostructured Conductive Polymer Gels: Synthesis, Properties, and Applications.

PubMed

Zhao, Fei; Shi, Ye; Pan, Lijia; Yu, Guihua

2017-07-18

Conductive polymers have attracted significant interest over the past few decades because they synergize the advantageous features of conventional polymeric materials and organic conductors. With rationally designed nanostructures, conductive polymers can further exhibit exceptional mechanical, electrical, and optical properties because of their confined dimensions at the nanoscale level. Among various nanostructured conductive polymers, conductive polymer gels (CPGs) with synthetically tunable hierarchical 3D network structures show great potential for a wide range of applications, such as bioelectronics, and energy storage/conversion devices owing to their structural features. CPGs retain the properties of nanosized conductive polymers during the assembly of the nanobuilding blocks into a monolithic macroscopic structure while generating structure-derived features from the highly cross-linked network. In this Account, we review our recent progress on the synthesis, properties, and novel applications of dopant cross-linked CPGs. We first describe the synthetic strategies, in which molecules with multiple functional groups are adopted as cross-linkers to cross-link conductive polymer chains into a 3D molecular network. These cross-linking molecules also act as dopants to improve the electrical conductivity of the gel network. The microstructure and physical/chemical properties of CPGs can be tuned by controlling the synthetic conditions such as species of monomers and cross-linkers, reaction temperature, and solvents. By incorporating other functional polymers or particles into the CPG matrix, hybrid gels have been synthesized with tailored structures. These hybrid gel materials retain the functionalities from each component, as well as enable synergic effects to improve mechanical and electrical properties of CPGs. We then introduce the unique structure-derived properties of the CPGs. The network facilitates both electronic and ionic transport owing to the continuous pathways for electrons and hierarchical pores for ion diffusion. CPGs also provide high surface area and solvent compatibility, similar to natural gels. With these improved properties, CPGs have been explored to enable novel conceptual devices in diverse applications from smart electronics and ultrasensitive biosensors, to energy storage and conversion devices. CPGs have also been adopted for developing hybrid materials with multifunctionalities, such as stimuli responsiveness, self-healing properties, and super-repellency to liquid. With synthetically tunable physical/chemical properties, CPGs emerge as a unique material platform to develop novel multifunctional materials that have the potential to impact electronics, energy, and environmental technologies. We hope that this Account promotes further efforts toward synthetic control, fundamental investigation, and application exploration of CPGs.

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

Functional properties and in vitro trypsin digestibility of red kidney bean (Phaseolus vulgaris L.) protein isolate: Effect of high-pressure treatment.

PubMed

Yin, Shou-Wei; Tang, Chuan-He; Wen, Qi-Biao; Yang, Xiao-Quan; Li, Lin

2008-10-15

The effects of high-pressure (HP) treatment at 200-600MPa, prior to freeze-drying, on some functional properties and in vitro trypsin digestibility of vicilin-rich red kidney bean (Phaseolus vulgaris L.) protein isolate (KPI) were investigated. Surface hydrophobicity and free sulfhydryl (SH) and disulfide bond (SS) contents were also evaluated. HP treatment resulted in gradual unfolding of protein structure, as evidenced by gradual increases in fluorescence strength and SS formation from SH groups, and decrease in denaturation enthalpy change. The protein solubility of KPI was significantly improved at pressures of 400MPa or higher, possibly due to formation of soluble aggregate from insoluble precipitate. HP treatment at 200 and 400MPa significantly increased emulsifying activity index (EAI) and emulsion stability index (ESI); however, EAI was significantly decreased at 600MPa (relative to untreated KPI). The thermal stability of the vicilin component was not affected by HP treatment. Additionally, in vitro trypsin digestibility of KPI was decreased only at a pressure above 200MPa and for long incubation time (e.g., 120min). The data suggest that some physiochemical and functional properties of vicilin-rich kidney proteins can be improved by means of high-pressure treatment. Copyright © 2008 Elsevier Ltd. All rights reserved.

Effect of combination of chitosan coating and irradiation on physicochemical and functional properties of chicken egg during room-temperature storage

NASA Astrophysics Data System (ADS)

Liu, Xian De; Jang, Aera; Kim, Dong Hun; Lee, Bong Duk; Lee, Mooha; Jo, Cheorun

2009-07-01

The effect of combination of chitosan coating and irradiation on quality and storage stability of shell egg was investigated. Salmonella typhimurium inoculated on eggshell was not detected by irradiation of 2.0 kGy at day 0 and/or chitosan coating (1%, pH 5.0) after 3 days of storage. One-day-old fresh chicken egg was chitosan coated and irradiated at 0, 0.5, 1.0, 1.5 and 2.0 kGy by gamma ray. The egg samples were stored at room temperature for 14 days and the effects of the combination treatment on internal physicochemical and functional properties were investigated. The Haugh unit of egg was decreased by irradiation even at 0.5 kGy. Irradiation increased the lipid oxidation in egg yolk at 2 kGy but the egg with chitosan coating reduced the level of lipid oxidation. Irradiation increased the foaming ability of egg white and decreased viscosity of egg yolk and white. Results suggested that combination of irradiation and chitosan coating can improve safety of shell egg but irradiation treatment may reduce the egg quality for direct consumption. However, an improved functional property for further processing and efficient separation of egg white and yolk can be expected for egg processing industry using irradiation.

Covalent functionalization of reduced graphene oxide with porphyrin by means of diazonium chemistry for nonlinear optical performance

PubMed Central

Wang, Aijian; Yu, Wang; Huang, Zhipeng; Zhou, Feng; Song, Jingbao; Song, Yinglin; Long, Lingliang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi

2016-01-01

Reduced graphene oxide (RGO)-porphyrin (TPP) nanohybrids (RGO-TPP 1 and RGO-TPP 2) were prepared by two synthetic routes that involve functionalization of the RGO using diazonium salts. The microscopic structures, morphology, photophysical properties and nonlinear optical performance of the resultant RGO-TPP nanohybrids were investigated. The covalent bonding of the porphyrin-functionalized-RGO nanohybrid materials was confirmed by Fourier transform infrared spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy, and thermogravimetric analysis. Attachment of the porphyrin units to the surface of the RGO by diazotization significantly improves the solubility and ease of processing of these RGO-based nanohybrid materials. Ultraviolet/visible absorption and steady-state fluorescence studies indicate considerable π-π interactions and effective photo-induced electron and/or energy transfer between the porphyrin moieties and the extended π-system of RGO. The nonlinear optical properties of RGO-TPP 1 and RGO-TPP 2 were investigated by open-aperture Z-scan measurements at 532 nm with both 4 ns and 21 ps laser pulses, the results showing that the chemical nanohybrids exhibit improved nonlinear optical properties compared to those of the benchmark material C60, and the constituent RGO or porphyrins. PMID:27011265

Improving reliability of aggregation, numerical simulation and analysis of complex systems by empirical data

NASA Astrophysics Data System (ADS)

Dobronets, Boris S.; Popova, Olga A.

2018-05-01

The paper considers a new approach of regression modeling that uses aggregated data presented in the form of density functions. Approaches to Improving the reliability of aggregation of empirical data are considered: improving accuracy and estimating errors. We discuss the procedures of data aggregation as a preprocessing stage for subsequent to regression modeling. An important feature of study is demonstration of the way how represent the aggregated data. It is proposed to use piecewise polynomial models, including spline aggregate functions. We show that the proposed approach to data aggregation can be interpreted as the frequency distribution. To study its properties density function concept is used. Various types of mathematical models of data aggregation are discussed. For the construction of regression models, it is proposed to use data representation procedures based on piecewise polynomial models. New approaches to modeling functional dependencies based on spline aggregations are proposed.

Plasma-modified graphene nanoplatelets and multiwalled carbon nanotubes as fillers for advanced rubber composites

NASA Astrophysics Data System (ADS)

Sicinski, M.; Gozdek, T.; Bielinski, D. M.; Szymanowski, H.; Kleczewska, J.; Piatkowska, A.

2015-07-01

In modern rubber industry, there still is a room for new fillers, which can improve the mechanical properties of the composites, or introduce a new function to the material. Modern fillers like carbon nanotubes or graphene nanoplatelets (GnP), are increasingly applied in advanced polymer composites technology. However, it might be hard to obtain a well dispersed system for such systems. The polymer matrix often exhibits higher surface free energy (SFE) level with the filler, which can cause problems with polymer-filler interphase adhesion. Filler particles are not wet properly by the polymer, and thus are easier to agglomerate. As a consequence, improvement in the mechanical properties is lower than expected. In this work, multi-walled carbon nanotubes (MWCNT) and GnP surface were modified with low-temperature plasma. Attempts were made to graft some functionalizing species on plasma-activated filler surface. The analysis of virgin and modified fillers’ SFE was carried out. MWCNT and GnP rubber composites were produced, and ultimately, their morphology and mechanical properties were studied.

Preparation of Phosphonic Acid Functionalized Graphene Oxide-modified Aluminum Powder with Enhanced Anticorrosive Properties

NASA Astrophysics Data System (ADS)

He, Lihua; Zhao, Yan; Xing, Liying; Liu, Pinggui; Wang, Zhiyong; Zhang, Youwei; Liu, Xiaofang

2017-07-01

To improve the anticorrosive performance of aluminum powder, a common functional filler in polymer coatings, we report a novel method to prepare graphene oxide modified aluminum powder (GO-Al) using 3-aminoproplyphosphoic acid as "link" agent. The GO nanosheets were firstly functionalized with 3-aminoproplyphosphoic acid (APSA) by the reaction of amine groups of APSA and the epoxy groups of GO. Subsequently, a layer of GO nanosheets uniformly and tightly covered the surface of flaky aluminum particle though the strong linking strength between -PO(OH)2 functional groups of the modified GO and aluminum. The hydrogen evolution experiment suggests that the GO attached on the aluminum powder could effectively improve the anticorrosive performance of the pigments.

Effect of soil in nutrient cycle assessment at dairy farms

NASA Astrophysics Data System (ADS)

van Leeuwen, Maricke; de Boer, Imke; van Dam, Jos; van Middelaar, Corina; Stoof, Cathelijne

2016-04-01

Annual farm nutrient cycle assessments give valuable insight in the nutrient cycles and nutrient losses at dairy farms. It describes nutrient use efficiencies for the entire farm and for the underlying components cattle, manure, crops and soil. In many modelling studies, soil is kept as a constant factor, while soil quality is vital for soil functioning of the ecosystem. Improving soil quality will improve the nutrient cycle, and will also have positive effect on the soil functions crop production, water cycling and greenhouse gas mitigation. Spatial variation of soil properties within a farm, however, are not included in annual nutrient cycle assessments. Therefore it is impossible to identify fields where most profit can be gained by improving farm management at field level, and it is not possible to identify and to quantify nutrient flow path ways. The aim of this study is to develop a framework to improve the annual nutrient cycle assessment at Dutch dairy farms, by including soil properties and their spatial variation within farms. Soil type and soil quality will be described by visual soil assessment of soil quality characteristics. The visual observations will be linked to the nutrient cycle assessment, using soil-hydrological model SWAP. We will demonstrate how soil quality at field level can impact on crop production, eutrophication potential and greenhouse gas potential at farm level. Also, we will show how this framework can be used by farmers to improve their farm management. This new approach is focusing on annual nutrient cycle assessment, but could also be used in life cycle assessment. It will improve understanding of soil functioning and dairy farm management.

Effect of γ-irradiation on the physical and mechanical properties of kefiran biopolymer film.

PubMed

Shahabi-Ghahfarrokhi, Iman; Khodaiyan, Faramarz; Mousavi, Mohammad; Yousefi, Hossein

2015-03-01

In this study, the effect of different γ-ray dosages (3, 6, and 9 kGy) on the functional properties of kefiran biopolymer was investigated. The obtained results showed that increasing γ-ray dosage brought about an increase in the tensile strength of film specimens up to three-times. However, elongation at break, and tensile energy to break of γ-irradiated kefiran films decreased in the wake of increasing γ-ray dosage. γ-Irradiation could improve surface hydrophobicity, sensitivity of kefiran film specimens to water, and water vapor permeability, but yellowness of films increased, simultaneously. XRD spectrum confirmed increased crystallinity of γ-irradiated films. Melting point of films was constant but glass transition temperature decreased drastically at high γ-ray dosage (9 kGy). ATR-FTIR analysis confirmed that γ-ray engendered no changes in chemical functional groups. According to the result, a mechanism was proposed to percept the effects of γ-irradiation on kefiran biopolymer and its role on the functional properties of kefiran film. Hence, the functional properties of kefiran films were depend on the ratio of cross-linkages between polymer chains and produced mono and disaccharide by γ-irradiation. Copyright © 2014 Elsevier B.V. All rights reserved.

Aging and Bone

PubMed Central

Boskey, A.L.; Coleman, R.

2010-01-01

Bones provide mechanical and protective function, while also serving as housing for marrow and a site for regulation of calcium ion homeostasis. The properties of bones do not remain constant with age; rather, they change throughout life, in some cases improving in function, but in others, function deteriorates. Here we review the modifications in the mechanical function and shape of bones, the bone cells, the matrix they produce, and the mineral that is deposited on this matrix, while presenting recent theories about the factors leading to these changes. PMID:20924069

Sonochemical surface functionalization of exfoliated LDH: Effect on textural properties, CO2 adsorption, cyclic regeneration capacities and subsequent gas uptake for simultaneous methanol synthesis.

PubMed

Ezeh, Collins I; Huang, Xiani; Yang, Xiaogang; Sun, Cheng-Gong; Wang, Jiawei

2017-11-01

To improve CO 2 adsorption, amine modified Layered double hydroxide (LDH) were prepared via a two stage process, SDS/APTS intercalation was supported by ultrasonic irradiation and then followed by MEA extraction. The prepared samples were characterised using Scanning electron microscope-Energy dispersive X-ray spectroscopy (SEM-EDX), X-ray Photoelectron Spectroscopy (XPS), X-ray diffraction (XRD), Temperature Programmed Desorption (TPD), Brunauer-Emmett-Teller (BET), and Thermogravimetric analysis (TGA), respectively. The characterisation results were compared with those obtained using the conventional preparation method with consideration to the effect of sonochemical functionalization on textural properties, adsorption capacity, regeneration and lifetime of the LDH adsorbent. It is found that LDHs prepared by sonochemical modification had improved pore structure and CO 2 adsorption capacity, depending on sonic intensity. This is attributed to the enhanced deprotonation of activated amino functional groups via the sonochemical process. Subsequently, this improved the amine loading and effective amine efficiency by 60% of the conventional. In addition, the sonochemical process improved the thermal stability of the adsorbent and also, reduced the irreversible CO 2 uptake, CUirrev, from 0.18mmol/g to 0.03mmol/g. Subsequently, improving the lifetime and ease of regenerating the adsorbent respectively. This is authenticated by subjecting the prepared adsorbents to series of thermal swing adsorption (TSA) cycles until its adsorption capacity goes below 60% of the original CO 2 uptake. While the conventional adsorbent underwent a 10 TSA cycles before breaking down, the sonochemically functionalized LDH went further than 30 TSA cycles. Copyright © 2017 Elsevier B.V. All rights reserved.

From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties.

PubMed

Xu, Xin; Goddard, William A

2004-03-02

We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee-Yang-Parr correlation functional) extended functional for density functional theory to significantly improve the accuracy for hydrogen-bonded and van der Waals complexes while also improving the accuracy in heats of formation, ionization potentials, electron affinities, and total atomic energies [over the most popular and accurate method, B3LYP (Becke three-parameter hybrid functional combined with Lee-Yang-Parr correlation functional)]. X3LYP also leads to a good description of dipole moments, polarizabilities, and accurate excitation energies from s to d orbitals for transition metal atoms and ions. We suggest that X3LYP will be useful for predicting ligand binding in proteins and DNA.

From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

NASA Astrophysics Data System (ADS)

Xu, Xin; Goddard, William A., III

2004-03-01

We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee-Yang-Parr correlation functional) extended functional for density functional theory to significantly improve the accuracy for hydrogen-bonded and van der Waals complexes while also improving the accuracy in heats of formation, ionization potentials, electron affinities, and total atomic energies [over the most popular and accurate method, B3LYP (Becke three-parameter hybrid functional combined with Lee-Yang-Parr correlation functional)]. X3LYP also leads to a good description of dipole moments, polarizabilities, and accurate excitation energies from s to d orbitals for transition metal atoms and ions. We suggest that X3LYP will be useful for predicting ligand binding in proteins and DNA.

The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

PubMed Central

Xu, Xin; Goddard, William A.

2004-01-01

We derive the form for an exact exchange energy density for a density decaying with Gaussian-like behavior at long range. Based on this, we develop the X3LYP (extended hybrid functional combined with Lee–Yang–Parr correlation functional) extended functional for density functional theory to significantly improve the accuracy for hydrogen-bonded and van der Waals complexes while also improving the accuracy in heats of formation, ionization potentials, electron affinities, and total atomic energies [over the most popular and accurate method, B3LYP (Becke three-parameter hybrid functional combined with Lee–Yang–Parr correlation functional)]. X3LYP also leads to a good description of dipole moments, polarizabilities, and accurate excitation energies from s to d orbitals for transition metal atoms and ions. We suggest that X3LYP will be useful for predicting ligand binding in proteins and DNA. PMID:14981235

Efficacy of Alkali-treated Sugarcane Fiber for Improving Physicochemical and Textural Properties of Meat Emulsions with Different Fat Levels

PubMed Central

Kim, Hyun-Wook; Setyabrata, Derico; Lee, Yong-Jae; Brad Kim, Yuan H.

2018-01-01

Abstract The objective of this study was to evaluate the efficacy of alkaline-treated sugarcane bagasse fiber on physicochemical and textural properties of meat emulsion with different fat levels. Crude sugarcane bagasse fiber (CSF) was treated with calcium hydroxide (Ca(OH2)) to obtain alkaline-treated sugarcane bagasse fiber (ASF). The two types of sugarcane bagasse fiber (CSF and ASF) were incorporated at 2% levels in pork meat emulsions prepared with 5%, 10% and 20% fat levels. Alkaline-treatment markedly increased acid detergent fiber content (p=0.002), but significantly decreased protein, fat, ash and other carbohydrate contents. ASF exhibited significantly higher water-binding capacity, but lower oil-binding and emulsifying capacities than CSF. Meat emulsions formulated with 10% fat and 2% sugarcane bagasse fiber had equivalent cooking loss and textural properties to control meat emulsion (20% fat without sugarcane bagasse fiber). The two types of sugarcane bagasse fiber had similar impacts on proximate composition, cooking yield and texture of meat emulsion at the same fat level, respectively (p>0.05). Our results confirm that sugarcane bagasse fiber could be a functional food ingredient for improving physicochemical and textural properties of meat emulsion, at 2% addition level. Further, the altered functional properties of alkaline-treated sugarcane bagasse fiber had no impacts on physicochemical and textural properties of meat emulsions, regardless of fat level at 5%, 10% and 20%. PMID:29805281

FTIR spectroscopy as a tool for nano-material characterization

NASA Astrophysics Data System (ADS)

Baudot, Charles; Tan, Cher Ming; Kong, Jeng Chien

2010-11-01

Covalently grafting functional molecules to carbon nanotubes (CNTs) is an important step to leverage the excellent properties of that nano-fiber in order to exploit its potential in improving the mechanical and thermal properties of a composite material. While Fourier Transform Infra Red (FTIR) spectroscopy can display the various chemical bonding in a material, we found that the existing database in FTIR library does not cover all the bonding information present in functionalized CNTs because the bond between the grafted molecule and the CNT is new in the FTIR study. In order to extend the applicability of FTIR to nano-material, we present a theoretical method to derive FTIR spectroscopy and compare it with our experimental results. In particular, we illustrate a method for the identification of functional molecules grafted on CNTs, and we are able to confirm that the functional molecules are indeed covalently grafted on the CNTs without any alterations to its functional groups.

Density Functional Theory Investigations of D-A-D' Structural Molecules as Donor Materials in Organic Solar Cell.

PubMed

Chen, Junxian; Liu, Qingyu; Li, Hao; Zhao, Zhigang; Lu, Zhiyun; Huang, Yan; Xu, Dingguo

2018-01-01

Squaraine core based small molecules in bulk heterojunction organic solar cells have received extensive attentions due to their distinguished photochemical properties in far red and infrared domain. In this paper, combining theoretical simulations and experimental syntheses and characterizations, three major factors (fill factor, short circuit and open-cirvuit voltage) have been carried out together to achieve improvement of power conversion efficiencies of solar cells. As model material systems with D-A-D' framework, two asymmetric squaraines (CNSQ and CCSQ-Tol) as donor materials in bulk heterojunction organic solar cell were synthesized and characterized. Intensive density functional theory computations were applied to identify some direct connections between three factors and corresponding molecular structural properties. It then helps us to predict one new molecule of CCSQ'-Ox that matches all the requirements to improve the power conversion efficiency.

Improving the hydrogen storage properties of metal-organic framework by functionalization.

PubMed

Xia, Liangzhi; Liu, Qing; Wang, Fengling; Lu, Jinming

2016-10-01

Based on the structure of MOF-808, different substituents were introduced to replace hydrogen atom on the phenyl ring of MOF-808. The GCMC method was used to study the effect of functional groups on the hydrogen storage properties of MOF-808-X (X = -OH, -NO 2 , -CH 3 , -CN, -I). The H 2 uptakes and isosteric heat of adsorption were simulated at 77 K. The results indicate that all these substituents have favorable impact on the hydrogen storage capacity, and -CN is found to be the most promising substituent to improve H 2 uptake. These results may be helpful for the design of MOFs with higher hydrogen storage capacity. Graphical abstract Atomistic structures of MOFs. (a) The structures of MOF-808-X. (b) Model of organic linker. Atom color scheme: C, gray; H, white; O, red; X, palegreen (X = -OH, -NO 2 , -CH 3 , -CN, -I).

Synthesis, reactivity and application studies for different biolubricants

PubMed Central

2014-01-01

Vegetable oils have different unique properties owing to their unique chemical structure. Vegetable oils have a greater ability to lubricate and have higher viscosity indices. Therefore, they are being more closely examined as base oil for biolubricants and functional fluids. In spite of their many advantages, vegetable oils suffer from two major drawbacks of inadequate oxidative stability and poor low-temperature properties, which hinder their utilization as biolubricant base oils. Transforming alkene groups in fatty acids to other stable functional groups could improve the oxidative stability, whereas reducing structural uniformity of the oil by attaching alkyl side chains could improve the low-temperature performance. In that light, the epoxidation of unsaturated fatty acids is very interesting as it can provide diverse side chains arising from the mono- or di-epoxidation of the unsaturated fatty acid. Oxirane ring opening by an acid-catalyzed reaction with a suitable reagent provides interesting polyfunctional compounds. PMID:24612780

Dissecting engineered cell types and enhancing cell fate conversion via CellNet

PubMed Central

Morris, Samantha A.; Cahan, Patrick; Li, Hu; Zhao, Anna M.; San Roman, Adrianna K.; Shivdasani, Ramesh A.; Collins, James J.; Daley, George Q.

2014-01-01

SUMMARY Engineering clinically relevant cells in vitro holds promise for regenerative medicine, but most protocols fail to faithfully recapitulate target cell properties. To address this, we developed CellNet, a network biology platform that determines whether engineered cells are equivalent to their target tissues, diagnoses aberrant gene regulatory networks, and prioritizes candidate transcriptional regulators to enhance engineered conversions. Using CellNet, we improved B cell to macrophage conversion, transcriptionally and functionally, by knocking down predicted B cell regulators. Analyzing conversion of fibroblasts to induced hepatocytes (iHeps), CellNet revealed an unexpected intestinal program regulated by the master regulator Cdx2. We observed long-term functional engraftment of mouse colon by iHeps, thereby establishing their broader potential as endoderm progenitors and demonstrating direct conversion of fibroblasts into intestinal epithelium. Our studies illustrate how CellNet can be employed to improve direct conversion and to uncover unappreciated properties of engineered cells. PMID:25126792

Directed evolution: an approach to engineer enzymes.

PubMed

Kaur, Jasjeet; Sharma, Rohit

2006-01-01

Directed evolution is being used increasingly in industrial and academic laboratories to modify and improve commercially important enzymes. Laboratory evolution is thought to make its biggest contribution in explorations of non-natural functions, by allowing us to distinguish the properties nurtured by evolution. In this review we report the significant advances achieved with respect to the methods of biocatalyst improvement and some critical properties and applications of the modified enzymes. The application of directed evolution has been elaborately demonstrated for protein solubility, stability and catalytic efficiency. Modification of certain enzymes for their application in enantioselective catalysis has also been elucidated. By providing a simple and reliable route to enzyme improvement, directed evolution has emerged as a key technology for enzyme engineering and biocatalysis.

Enhanced optical limiting effect in fluorine-functionalized graphene oxide

NASA Astrophysics Data System (ADS)

Zhang, Fang; Wang, Zhengping; Wang, Duanliang; Wang, Shenglai; Xu, Xinguang

2017-09-01

Nonlinear optical absorption of fluorine-functionalized graphene oxide (F-GO) solution was researched by the open-aperture Z-scan method using 1064 and 532 nm lasers as the excitation sources. The F-GO dispersion exhibited strong optical limiting property and the fitted results demonstrated that the optical limiting behavior was the result of a two-photon absorption process. For F-GO nanosheets, the two-photon absorption coefficients at 1064 nm excitation are 20% larger than the values at 532 nm excitation and four times larger than that of pure GO nanosheets. It indicates that the doping of fluorine can effectively improve the nonlinear optical property of GO especially in infrared waveband, and fluorine-functionalized graphene oxide is an excellent nonlinear absorption material in infrared waveband.

CEMCAN Software Enhanced for Predicting the Properties of Woven Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Murthy, Pappu L. N.; Mital, Subodh K.; DiCarlo, James A.

2000-01-01

Major advancements are needed in current high-temperature materials to meet the requirements of future space and aeropropulsion structural components. Ceramic matrix composites (CMC's) are one class of materials that are being evaluated as candidate materials for many high-temperature applications. Past efforts to improve the performance of CMC's focused primarily on improving the properties of the fiber, interfacial coatings, and matrix constituents as individual phases. Design and analysis tools must take into consideration the complex geometries, microstructures, and fabrication processes involved in these composites and must allow the composite properties to be tailored for optimum performance. Major accomplishments during the past year include the development and inclusion of woven CMC micromechanics methodology into the CEMCAN (Ceramic Matrix Composites Analyzer) computer code. The code enables one to calibrate a consistent set of constituent properties as a function of temperature with the aid of experimentally measured data.

Improvement of physical properties of calcium phosphate cement by elastin-like polypeptide supplementation.

PubMed

Jang, Ji-Hyun; Shin, Sumi; Kim, Hyun-Jung; Jeong, Jinyoung; Jin, Hyo-Eon; Desai, Malav S; Lee, Seung-Wuk; Kim, Sun-Young

2018-03-26

Calcium phosphate cements (CPCs) are synthetic bioactive cements widely used as hard tissue substitutes. Critical limitations of use include their poor mechanical properties and poor anti-washout behaviour. To address those limitations, we combined CPC with genetically engineered elastin-like polypeptides (ELPs). We investigated the effect of the ELPs on the physical properties and biocompatibility of CPC by testing ELP/CPC composites with various liquid/powder ratios. Our results show that the addition of ELPs improved the mechanical properties of the CPC, including the microhardness, compressive strength, and washout resistance. The biocompatibility of ELP/CPC composites was also comparable to that of the CPC alone. However, supplementing CPC with ELPs functionalized with octaglutamate as a hydroxyapatite binding peptide increased the setting time of the cement. With further design and modification of our biomolecules and composites, our research will lead to products with diverse applications in biology and medicine.

Assessing Cartilage Biomechanical Properties: Techniques for Evaluating the Functional Performance of Cartilage in Health and Disease.

PubMed

Lakin, Benjamin A; Snyder, Brian D; Grinstaff, Mark W

2017-06-21

Osteoarthritis (OA) affects millions of people and results in weakened hyaline cartilage due to overloading. During joint articulation, hyaline cartilage must withstand high loads while maintaining low friction to prevent wear and tissue loss. Thus, cartilage compressive stiffness and the coefficient of friction are important indicators of the tissue's functional performance. These mechanical properties are often measured ex vivo using mechanical testing regimens, but arthroscopic handheld probes (e.g., for indentation testing, ultrasound, and optical coherence tomography) and noninvasive imaging modalities (e.g., magnetic resonance imaging and computed tomography) provide opportunities for either direct or indirect in vivo assessment of cartilage mechanical properties. In this review, we examine the application of these techniques for evaluating cartilage, with a focus on measuring mechanical properties for early-stage OA diagnosis. For each approach, we discuss the advantages, disadvantages, current and potential clinical utility, and promising technological improvement.

Understanding the Effect of Ni on Mechanical and Wear Properties of Low-Carbon Steel from a View-Point of Electron Work Function

NASA Astrophysics Data System (ADS)

Lu, Hao; Huang, Xiaochen; Hou, Runfang; Li, D. Y.

2018-07-01

Electron work function (EWF) is correlated to intrinsic properties of metallic materials and can be an alternative parameter to obtain supplementary clues for guiding material design and modification. A higher EWF corresponds to a more stable electronic state, leading to higher resistance to any attempt to change the material structure and properties. In this study, effects of Ni as a solute with a higher EWF on mechanical, electrochemical, and tribological properties of low-carbon steel were investigated. Added Ni, which has more valence electrons, enhanced the electrons-nuclei interaction in the steel, corresponding to higher EWF. As a result, the Ni-added steel showed increased mechanical strength and corrosion resistance, resulting in higher resistances to wear and corrosive wear. Mechanism for the improvements is elucidated through analyzing EWF-related variations in Young's modulus, hardness, corrosion potential, and tribological behavior.

Understanding the Effect of Ni on Mechanical and Wear Properties of Low-Carbon Steel from a View-Point of Electron Work Function

NASA Astrophysics Data System (ADS)

Lu, Hao; Huang, Xiaochen; Hou, Runfang; Li, D. Y.

2018-04-01

Electron work function (EWF) is correlated to intrinsic properties of metallic materials and can be an alternative parameter to obtain supplementary clues for guiding material design and modification. A higher EWF corresponds to a more stable electronic state, leading to higher resistance to any attempt to change the material structure and properties. In this study, effects of Ni as a solute with a higher EWF on mechanical, electrochemical, and tribological properties of low-carbon steel were investigated. Added Ni, which has more valence electrons, enhanced the electrons-nuclei interaction in the steel, corresponding to higher EWF. As a result, the Ni-added steel showed increased mechanical strength and corrosion resistance, resulting in higher resistances to wear and corrosive wear. Mechanism for the improvements is elucidated through analyzing EWF-related variations in Young's modulus, hardness, corrosion potential, and tribological behavior.

Making better scar: Emerging approaches for modifying mechanical and electrical properties following infarction and ablation.

PubMed

Holmes, Jeffrey W; Laksman, Zachary; Gepstein, Lior

2016-01-01

Following myocardial infarction (MI), damaged myocytes are replaced by collagenous scar tissue, which serves an important mechanical function - maintaining integrity of the heart wall against enormous mechanical forces - but also disrupts electrical function as structural and electrical remodeling in the infarct and borderzone predispose to re-entry and ventricular tachycardia. Novel emerging regenerative approaches aim to replace this scar tissue with viable myocytes. Yet an alternative strategy of therapeutically modifying selected scar properties may also prove important, and in some cases may offer similar benefits with lower risk or regulatory complexity. Here, we review potential goals for such modifications as well as recent proof-of-concept studies employing specific modifications, including gene therapy to locally increase conduction velocity or prolong the refractory period in and around the infarct scar, and modification of scar anisotropy to improve regional mechanics and pump function. Another advantage of scar modification techniques is that they have applications well beyond MI. In particular, ablation treats electrical abnormalities of the heart by intentionally generating scar to block aberrant conduction pathways. Yet in diseases such as atrial fibrillation (AF) where ablation can be extensive, treating the electrical disorder can significantly impair mechanical function. Creating smaller, denser scars that more effectively block conduction, and choosing the location of those lesions by balancing their electrical and mechanical impacts, could significantly improve outcomes for AF patients. We review some recent advances in this area, including the use of computational models to predict the mechanical effects of specific lesion sets and gene therapy for functional ablation. Overall, emerging techniques for modifying scar properties represents a potentially important set of tools for improving patient outcomes across a range of heart diseases, whether used in place of or as an adjunct to regenerative approaches. Copyright © 2015 Elsevier Ltd. All rights reserved.

Versatile types of polysaccharide-based supramolecular polycation/pDNA nanoplexes for gene delivery

NASA Astrophysics Data System (ADS)

Hu, Yang; Zhao, Nana; Yu, Bingran; Liu, Fusheng; Xu, Fu-Jian

2014-06-01

Different polysaccharide-based supramolecular polycations were readily synthesized by assembling multiple β-cyclodextrin-cored star polycations with an adamantane-functionalized dextran via host-guest interaction in the absence or presence of bioreducible linkages. Compared with nanoplexes of the starting star polycation and pDNA, the supramolecular polycation/pDNA nanoplexes exhibited similarly low cytotoxicity, improved cellular internalization and significantly higher gene transfection efficiencies. The incorporation of disulfide linkages imparted the supramolecular polycation/pDNA nanoplexes with the advantage of intracellular bioreducibility, resulting in better gene delivery properties. In addition, the antitumor properties of supramolecular polycation/pDNA nanoplexes were also investigated using a suicide gene therapy system. The present study demonstrates that the proper assembly of cyclodextrin-cored polycations with adamantane-functionalized polysaccharides is an effective strategy for the production of new nanoplex delivery systems.Different polysaccharide-based supramolecular polycations were readily synthesized by assembling multiple β-cyclodextrin-cored star polycations with an adamantane-functionalized dextran via host-guest interaction in the absence or presence of bioreducible linkages. Compared with nanoplexes of the starting star polycation and pDNA, the supramolecular polycation/pDNA nanoplexes exhibited similarly low cytotoxicity, improved cellular internalization and significantly higher gene transfection efficiencies. The incorporation of disulfide linkages imparted the supramolecular polycation/pDNA nanoplexes with the advantage of intracellular bioreducibility, resulting in better gene delivery properties. In addition, the antitumor properties of supramolecular polycation/pDNA nanoplexes were also investigated using a suicide gene therapy system. The present study demonstrates that the proper assembly of cyclodextrin-cored polycations with adamantane-functionalized polysaccharides is an effective strategy for the production of new nanoplex delivery systems. Electronic supplementary information (ESI) available: 1H NMR assay and synthetic route of Dex-Ad and Dex-SS-Ad. See DOI: 10.1039/c4nr01590h

Adjoint Methods for Adjusting Three-Dimensional Atmosphere and Surface Properties to Fit Multi-Angle Multi-Pixel Polarimetric Measurements

NASA Technical Reports Server (NTRS)

Martin, William G.; Cairns, Brian; Bal, Guillaume

2014-01-01

This paper derives an efficient procedure for using the three-dimensional (3D) vector radiative transfer equation (VRTE) to adjust atmosphere and surface properties and improve their fit with multi-angle/multi-pixel radiometric and polarimetric measurements of scattered sunlight. The proposed adjoint method uses the 3D VRTE to compute the measurement misfit function and the adjoint 3D VRTE to compute its gradient with respect to all unknown parameters. In the remote sensing problems of interest, the scalar-valued misfit function quantifies agreement with data as a function of atmosphere and surface properties, and its gradient guides the search through this parameter space. Remote sensing of the atmosphere and surface in a three-dimensional region may require thousands of unknown parameters and millions of data points. Many approaches would require calls to the 3D VRTE solver in proportion to the number of unknown parameters or measurements. To avoid this issue of scale, we focus on computing the gradient of the misfit function as an alternative to the Jacobian of the measurement operator. The resulting adjoint method provides a way to adjust 3D atmosphere and surface properties with only two calls to the 3D VRTE solver for each spectral channel, regardless of the number of retrieval parameters, measurement view angles or pixels. This gives a procedure for adjusting atmosphere and surface parameters that will scale to the large problems of 3D remote sensing. For certain types of multi-angle/multi-pixel polarimetric measurements, this encourages the development of a new class of three-dimensional retrieval algorithms with more flexible parametrizations of spatial heterogeneity, less reliance on data screening procedures, and improved coverage in terms of the resolved physical processes in the Earth?s atmosphere.

Preparation of lactic acid bacteria fermented wheat-yoghurt mixtures.

PubMed

Magala, Michal; Kohajdová, Zlatica; Karovičová, Jolana

2013-01-01

Tarhana, a wheat-yoghurt fermented mixture, is considered as a good source of saccharides, proteins, some vitamins and minerals. Moreover, their preparation is inexpensive and lactic acid fermentation offers benefits like product preservation, enhancement of nutritive value and sensory properties improvement. The aim of this work was to evaluate changes of some chemical parameters during fermentation of tarhana, when the level of salt and amount of yoghurt used were varied. Some functional and sensory characteristics of the fi nal product were also determined. Chemical analysis included determination of pH, titrable acidity, content of reducing saccharides, lactic, acetic and citric acid. Measured functional properties of tarhana powder were foaming capacity, foam stability, water absorption capacity, oil absorption capacity and emulsifying activity. Tarhana soups samples were evaluated for their sensory characteristics (colour, odor, taste, consistency and overall acceptability). Fermentation of tarhana by lactic acid bacteria and yeasts led to decrease in pH, content of reducing saccharides and citric acid, while titrable acidity and concentration of lactic and acetic acid increased. Determination of functional properties of tarhana powder showed, that salt absence and increased amount of yoghurt in tarhana recipe reduced foaming capacity and oil absorption capacity, whereas foam stability and water absorption capacity were improved. Sensory evaluation of tarhana soups showed that variations in tarhana recipe adversly affected sensory parameters of fi nal products. Variations in tarhana recipe (salt absence, increased proportion of yoghurt) led to changes in some chemical parameters (pH, titrable acidity, reducing saccharides, content of lactic, acetic and citric acid). Functional properties were also affected with changed tarhana recipe. Sensory characteristics determination showed, that standard tarhana fermented for 144 h had the highest overall acceptability.

Graphical function mapping as a new way to explore cause-and-effect chains

USGS Publications Warehouse

Evans, Mary Anne

2016-01-01

Graphical function mapping provides a simple method for improving communication within interdisciplinary research teams and between scientists and nonscientists. This article introduces graphical function mapping using two examples and discusses its usefulness. Function mapping projects the outcome of one function into another to show the combined effect. Using this mathematical property in a simpler, even cartoon-like, graphical way allows the rapid combination of multiple information sources (models, empirical data, expert judgment, and guesses) in an intuitive visual to promote further discussion, scenario development, and clear communication.

Profile and Functional Properties of Seed Proteins from Six Pea (Pisum sativum) Genotypes

PubMed Central

Barac, Miroljub; Cabrilo, Slavica; Pesic, Mirjana; Stanojevic, Sladjana; Zilic, Sladjana; Macej, Ognjen; Ristic, Nikola

2010-01-01

Extractability, extractable protein compositions, technological-functional properties of pea (Pisum sativum) proteins from six genotypes grown in Serbia were investigated. Also, the relationship between these characteristics was presented. Investigated genotypes showed significant differences in storage protein content, composition and extractability. The ratio of vicilin:legumin concentrations, as well as the ratio of vicilin + convicilin: Legumin concentrations were positively correlated with extractability. Our data suggest that the higher level of vicilin and/or a lower level of legumin have a positive influence on protein extractability. The emulsion activity index (EAI) was strongly and positively correlated with the solubility, while no significant correlation was found between emulsion stability (ESI) and solubility, nor between foaming properties and solubility. No association was evident between ESI and EAI. A moderate positive correlation between emulsion stability and foam capacity was observed. Proteins from the investigated genotypes expressed significantly different emulsifying properties and foam capacity at different pH values, whereas low foam stability was detected. It appears that genotype has considerable influence on content, composition and technological-functional properties of pea bean proteins. This fact can be very useful for food scientists in efforts to improve the quality of peas and pea protein products. PMID:21614186

Profile and functional properties of seed proteins from six pea (Pisum sativum) genotypes.

PubMed

Barac, Miroljub; Cabrilo, Slavica; Pesic, Mirjana; Stanojevic, Sladjana; Zilic, Sladjana; Macej, Ognjen; Ristic, Nikola

2010-01-01

Extractability, extractable protein compositions, technological-functional properties of pea (Pisum sativum) proteins from six genotypes grown in Serbia were investigated. Also, the relationship between these characteristics was presented. Investigated genotypes showed significant differences in storage protein content, composition and extractability. The ratio of vicilin:legumin concentrations, as well as the ratio of vicilin + convicilin: Legumin concentrations were positively correlated with extractability. Our data suggest that the higher level of vicilin and/or a lower level of legumin have a positive influence on protein extractability. The emulsion activity index (EAI) was strongly and positively correlated with the solubility, while no significant correlation was found between emulsion stability (ESI) and solubility, nor between foaming properties and solubility. No association was evident between ESI and EAI. A moderate positive correlation between emulsion stability and foam capacity was observed. Proteins from the investigated genotypes expressed significantly different emulsifying properties and foam capacity at different pH values, whereas low foam stability was detected. It appears that genotype has considerable influence on content, composition and technological-functional properties of pea bean proteins. This fact can be very useful for food scientists in efforts to improve the quality of peas and pea protein products.

Enhancement of interaction of L-929 cells with functionalized graphene via COOH+ ion implantation vs. chemical method

PubMed Central

Zhao, Meng-li; Liu, Xiao-qi; Cao, Ye; Li, Xi-fei; Li, De-jun; Sun, Xue-liang; Gu, Han-qing; Wan, Rong-xin

2016-01-01

Low hydrophilicity of graphene is one of the major obstacles for biomaterials application. To create some hydrophilic groups on graphene is addressed this issue. Herein, COOH+ ion implantation modified graphene (COOH+/graphene) and COOH functionalized graphene were designed by physical ion implantation and chemical methods, respectively. The structure and surface properties of COOH+/graphene and COOH functionalized graphene were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and contact angle measurement. Compared with graphene, COOH+/graphene and COOH functionalized graphene revealed improvement of cytocompatibility, including in vitro cell viability and morphology. More importantly, COOH+/graphene exhibited better improvement effects than functionalized graphene. For instance, COOH+/graphene with 1 × 1018 ions/cm2 showed the best cell-viability, proliferation and stretching. This study demonstrated that ion implantation can better improve the cytocompatibility of the graphene. PMID:27845420

Electronic structure and optical spectra of semiconducting carbon nanotubes functionalized by diazonium salts

NASA Astrophysics Data System (ADS)

Ramirez, Jessica; Mayo, Michael L.; Kilina, Svetlana; Tretiak, Sergei

2013-02-01

We report density functional (DFT) calculations on finite-length semiconducting carbon nanotubes covalently and non-covalently functionalized by aryl diazonium moieties and their chlorinated derivatives. For these systems, we investigate (i) an accuracy of different functionals and basis sets, (ii) a solvent effect, and (iii) the impact of the chemical functionalization on optical properties of nanotubes. In contrast to B3LYP, only long-range-corrected functionals, such as CAM-B3LYP and wB97XD, properly describe the ground and excited state properties of physisorbed molecules. We found that physisorbed cation insignificantly perturbs the optical spectra of nanotubes. In contrast, covalently bound complexes demonstrate strong redshifts and brightening of the lowest exciton that is optically dark in pristine nanotubes. However, the energy and oscillator strength of the lowest state are dictated by the position of the molecule on the nanotube. Thus, if controllable and selective chemical functionalization is realized, the PL of nanotubes could be improved.

Modified Single-Wall Carbon Nanotubes for Reinforce Thermoplastic Polyimide

NASA Technical Reports Server (NTRS)

Lebron-COlon, Marisabel; Meador, Michael A.

2006-01-01

A significant improvement in the mechanical properties of the thermoplastic polyimide film was obtained by the addition of noncovalently functionalized single-wall carbon nanotubes (SWNTs). Polyimide films were reinforced using pristine SWNTs and functionalized SWNTs (F-SWNTs). The tensile strengths of the polyimide films containing F-SWNTs were found to be approximately 1.4 times higher than those prepared from pristine SWNTs.

Antimicrobial surfaces for craniofacial implants: state of the art.

PubMed

Actis, Lisa; Gaviria, Laura; Guda, Teja; Ong, Joo L

2013-04-01

In an attempt to regain function and aesthetics in the craniofacial region, different biomaterials, including titanium, hydroxyapatite, biodegradable polymers and composites, have been widely used as a result of the loss of craniofacial bone. Although these materials presented favorable success rates, osseointegration and antibacterial properties are often hard to achieve. Although bone-implant interactions are highly dependent on the implant's surface characteristics, infections following traumatic craniofacial injuries are common. As such, poor osseointegration and infections are two of the many causes of implant failure. Further, as increasingly complex dental repairs are attempted, the likelihood of infection in these implants has also been on the rise. For these reasons, the treatment of craniofacial bone defects and dental repairs for long-term success remains a challenge. Various approaches to reduce the rate of infection and improve osseointegration have been investigated. Furthermore, recent and planned tissue engineering developments are aimed at improving the implants' physical and biological properties by improving their surfaces in order to develop craniofacial bone substitutes that will restore, maintain and improve tissue function. In this review, the commonly used biomaterials for craniofacial bone restoration and dental repair, as well as surface modification techniques, antibacterial surfaces and coatings are discussed.

Functionalization and Melt-compounding of MWCNTs in PA-6 for Tribological Applications

NASA Astrophysics Data System (ADS)

Chopra, Swamini; Deshmukh, Kavita A.; Deshmukh, Abhay D.; Peshwe, D. R.

2018-04-01

The present study focuses on the fabrication and mechanical property evaluation of PA-6/MWCNT nanocomposites reinforced with microwave-functionalized MWCNTs. The MWCNTs were subjected to microwave radiation in the solution of H2SO4 and HNO3 for 3 minutes, with the aim of achieving better and faster functionalization. The change observed in the crystal structure of PA-6 matrix after CNT addition suggested improved nucleation due to well-dispersed MWCNTs after functionalization. The tensile strength of PA-6 increased by approx. 12 % and 15 % after addition of pristine and functionalized MWCNTs, respectively. This was credited to improved interaction between CNTs and PA-6 matrix. The dispersion quality of CNTs in PA-6 matrix was verified by FEG-SEM, while the fractography of composites revealed polymer sheathing of PA-6 matrix around CNTs. This again contributed in improving the elongation of the composites by approx. 10 %. The wear resistance of the composites also improved appreciably, irrespective of the applied load. The specific wear rate of PA-6/CNT nanocomposite reinforced with functionalized MWCNTs increased by approx. 60 to 70 %, while coefficient of friction reduced by approx. 30 to 40%.

Covalent modification of soy protein isolate by (-)-epigallocatechin-3-gallate: effects on structural and emulsifying properties.

PubMed

Tao, Fei; Jiang, He; Chen, Wenwei; Zhang, Yongyong; Pan, Jiarong; Jiang, Jiaxin; Jia, Zhenbao

2018-05-07

Soy protein isolate (SPI) has promising applications in various food products because of its excellent functional properties and nutritional quality. The structural and emulsifying properties of covalently modified SPI by (-)-epigallocatechin-3-gallate (EGCG) were investigated. SPI was covalently modified by EGCG under alkaline conditions. SDS-PAGE analysis revealed that EGCG modification caused cross-linking of SPI proteins. Circular dichroism spectra demonstrated that the secondary structure of SPI proteins was changed by EGCG modification. In addition, the modifications resulted in the perturbation of the tertiary structure of SPI as evidenced by intrinsic fluorescence spectra and surface hydrophobicity measurements. Oil-in-water emulsions of modified SPI had smaller droplet sizes and better creaming stability compared to those from unmodified SPI. The covalent modification by EGCG improved the emulsifying property of SPI. This study provided an innovative approach for improving the emulsifying properties of proteins. This article is protected by copyright. All rights reserved.

Enhancement of interfacial adhesion between starch and grafted poly(ε-caprolactone).

PubMed

Ortega-Toro, Rodrigo; Santagata, Gabriella; Gomez d'Ayala, Giovanna; Cerruti, Pierfrancesco; Talens Oliag, Pau; Chiralt Boix, M Amparo; Malinconico, Mario

2016-08-20

The use of a modified poly(ε-caprolactone) (gPCL) to enhance polymer miscibility in films based on thermoplastic starch (S) and poly(ε-caprolactone) is reported. PCL was functionalized by grafting with maleic anyhdride (MA) and/or glycidyl methacrylate (GMA) by reactive blending in a batch mixer. gPCL based materials were analysed in terms of their grafting degree, structural and thermal properties. Blends based on starch and PCL (wt. ratio 80:20) with including gPCL (0, 2.5 and 5wt.%), as a compatibilizer, were obtained by extrusion and compression moulding, and their structural, thermal, mechanical and barrier properties were investigated. Blends containing gPCL evidenced better interfacial adhesion between starch and PCL domains, as deduced from both structural (XRD, FTIR, SEM) and bulk properties (DSC, TGA). Moreover, grafted PCL-based compatibilizers greatly improved functional properties of S-PCL blend films, as pointed out from mechanical performance and higher barrier properties, valuable to meet the food packaging requirements. Copyright © 2016 Elsevier Ltd. All rights reserved.

Functionalized Carbon Nanotubes in Modified Plant Oil Composites.

NASA Astrophysics Data System (ADS)

McAninch, Ian M.; Wool, Richard P.

2007-03-01

Carbon nanotubes (CNTs) with their impressive mechanical properties are ideal reinforcement material. Acrylated epoxidized soy oil (AESO) has been previously shown to have favorable interactions with carbon nanotubes; however a mixture of aggregates and dispersed tubes were found even at low CNT concentrations. In order to prevent re-aggregation, the CNTs were functionalized with a 10 carbon long aliphatic chain. These aliphatic chains are similar to the fatty acids that make up soy oil. Functionalization was verified using XPS and IR spectroscopy. These functionalized CNTs were dispersed by mechanical shear mixing into AESO both with and without styrene as a comonomer. No large aggregates were observed in the liquid, uncured, samples or in the final cured composites. Dispersion in the solid composites was verified using optical and electron microscopy. Better dispersion also resulted in improved mechanical properties.

Antioxidant multi-walled carbon nanotubes by free radical grafting of gallic acid: new materials for biomedical applications.

PubMed

Cirillo, Giuseppe; Hampel, Silke; Klingeler, Rüdiger; Puoci, Francesco; Iemma, Francesca; Curcio, Manuela; Parisi, Ortensia Ilaria; Spizzirri, Umile Gianfranco; Picci, Nevio; Leonhardt, Albrecht; Ritschel, Manfred; Büchner, Bernd

2011-02-01

To prove the possibility of covalently functionalizing multi-walled carbon nanotubes (CNTs) by free radical grafting of gallic acid on their surface with the subsequent synthesis of materials with improved biological properties evaluated by specific in-vitro assays. Antioxidant CNTs were synthesized by radical grafting of gallic acid onto pristine CNTs. The synthesis of carbon nanotubes was carried out in a fixed-bed reactor and, after the removal of the amorphous carbon, the grafting process was performed. The obtained materials were characterized by fluorescence and Fourier transform infrared spectroscopy (FT-IR) analyses. After assessment of the biocompatibility and determination of the disposable phenolic group content, the antioxidant properties were evaluated in terms of total antioxidant activity and scavenger ability against 2,2'-diphenyl-1-picrylhydrazyl (DPPH), hydroxyl and peroxyl radicals. Finally the inhibition activity on acetylcholinesterase was evaluated.   The covalent functionalization of CNTs with gallic acid was confirmed and the amount of gallic acid bound per g of CNTs was found to be 2.1±0.2 mg. Good antioxidant and scavenging properties were recorded in the functionalized CNTs, which were found to be able to inhibit the acetylcholinesterase with potential improved activity for biomedical and pharmaceutical applications. For the first time, a free radical grafting procedure was proposed as a synthetic approach for the covalent functionalization of CNTs with an antioxidant polyphenol. © 2010 The Authors. JPP © 2010 Royal Pharmaceutical Society.

Improved spatial resolution for spot sampling in thermal desorption atomic force microscopy – mass spectrometry via rapid heating functions

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

Somnath, Suhas; Jesse, Stephen; Van Berkel, Gary J.

The key to advancing materials is to understand and control their structure and chemistry. However, thorough chemical characterization is challenging since existing techniques characterize only a few properties of the specimen, thereby necessitating multiple measurement platforms to acquire the necessary information. The multimodal combination of atomic force microscopy (AFM) and mass spectrometry (MS) transcends existing analytical capabilities for nanometer scale spatially resolved correlation of the chemical and physical properties of a sample surface. One such hybrid system employs heated AFM cantilevers for thermal desorption (TD) sampling of molecules from a surface and subsequent gas phase ionization and detection of themore » liberated species by MS. Here in this paper, we report on the use of voltage pulse trains to tailor cantilever heating such that spot sampling size was reduced and mass spectral signal was improved compared to constant voltage, static heating of the cantilever. Desorption efficiency (DE), defined as the quotient of the mass spectral signal intensity and the volume of the desorption crater, was used to judge the effectiveness of a particular tailored heating function. To guide the development and optimization of the heating functions and aid in interpreting experimental results, a 1D finite element model was developed that predicted the cantilever response to different heating functions. Three tailored heating functions that used different combinations, magnitudes, and durations of rectangular voltage pulses, were used for surface spot sampling. The resultant sampling spot size and DE were compared to the same metrics obtained with the conventional method that uses a single voltage pulse. Using a model system composed of a thin film of ink containing pigment yellow 74 as a model system, desorption craters shrunk from 2 μm, using the conventional approach, to 310 nm using the optimum tailored heating function. This same pulsed heating function produced a 381× improvement in the DE and an 8× improvement in spatial resolution compared to the conventional heating approach showing that signal/amount of material sampled was improved significantly by this new cantilever heating strategy.« less

Improved spatial resolution for spot sampling in thermal desorption atomic force microscopy – mass spectrometry via rapid heating functions

DOE PAGES

Somnath, Suhas; Jesse, Stephen; Van Berkel, Gary J.; ...

2017-04-17

The key to advancing materials is to understand and control their structure and chemistry. However, thorough chemical characterization is challenging since existing techniques characterize only a few properties of the specimen, thereby necessitating multiple measurement platforms to acquire the necessary information. The multimodal combination of atomic force microscopy (AFM) and mass spectrometry (MS) transcends existing analytical capabilities for nanometer scale spatially resolved correlation of the chemical and physical properties of a sample surface. One such hybrid system employs heated AFM cantilevers for thermal desorption (TD) sampling of molecules from a surface and subsequent gas phase ionization and detection of themore » liberated species by MS. Here in this paper, we report on the use of voltage pulse trains to tailor cantilever heating such that spot sampling size was reduced and mass spectral signal was improved compared to constant voltage, static heating of the cantilever. Desorption efficiency (DE), defined as the quotient of the mass spectral signal intensity and the volume of the desorption crater, was used to judge the effectiveness of a particular tailored heating function. To guide the development and optimization of the heating functions and aid in interpreting experimental results, a 1D finite element model was developed that predicted the cantilever response to different heating functions. Three tailored heating functions that used different combinations, magnitudes, and durations of rectangular voltage pulses, were used for surface spot sampling. The resultant sampling spot size and DE were compared to the same metrics obtained with the conventional method that uses a single voltage pulse. Using a model system composed of a thin film of ink containing pigment yellow 74 as a model system, desorption craters shrunk from 2 μm, using the conventional approach, to 310 nm using the optimum tailored heating function. This same pulsed heating function produced a 381× improvement in the DE and an 8× improvement in spatial resolution compared to the conventional heating approach showing that signal/amount of material sampled was improved significantly by this new cantilever heating strategy.« less

Analysis of Photosynthetic Rate and Bio-Optical Components from Ocean Color Imagery

NASA Technical Reports Server (NTRS)

Kiefer, Dale A.; Stramski, Dariusz

1997-01-01

Our research over the last 5 years indicates that the successful transformation of ocean color imagery into maps of bio-optical properties will require continued development and testing of algorithms. In particular improvements in the accuracy of predicting from ocean color imagery the concentration of the bio-optical components of sea as well as the rate of photosynthesis will require progress in at least three areas: (1) we must improve mathematical models of the growth and physiological acclimation of phytoplankton; (2) we must better understand the sources of variability in the absorption and backscattering properties of phytoplankton and associated microparticles; and (3) we must better understand how the radiance distribution just below the sea surface varies as a function sun and sky conditions and inherent optical properties.

Plasma surface modification of polypropylene track-etched membrane to improve its performance properties

NASA Astrophysics Data System (ADS)

Kravets, L. I.; Elinson, V. M.; Ibragimov, R. G.; Mitu, B.; Dinescu, G.

2018-02-01

The surface and electrochemical properties of polypropylene track-etched membrane treated by plasma of nitrogen, air and oxygen are studied. The effect of the plasma-forming gas composition on the surface morphology is considered. It has been found that the micro-relief of the membrane surface formed under the gas-discharge etching, changes. Moreover, the effect of the non-polymerizing gas plasma leads to formation of oxygen-containing functional groups, mostly carbonyl and carboxyl. It is shown that due to the formation of polar groups on the surface and its higher roughness, the wettability of the plasma-modified membranes improves. In addition, the presence of polar groups on the membrane surface layer modifies its electrochemical properties so that conductivity of plasma-treated membranes increase.

Applicability of Vacuum Impregnation to Modify Physico-Chemical, Sensory and Nutritive Characteristics of Plant Origin Products—A Review

PubMed Central

Radziejewska-Kubzdela, Elżbieta; Biegańska-Marecik, Róża; Kidoń, Marcin

2014-01-01

Vacuum impregnation is a non-destructive method of introducing a solution with a specific composition to the porous matrices of fruit and vegetables. Mass transfer in this process is a result of mechanically induced differences in pressure. Vacuum impregnation makes it possible to fill large volumes of intercellular spaces in tissues of fruit and vegetables, thus modifying physico-chemical properties and sensory attributes of products. This method may be used, e.g., to reduce pH and water activity of the product, change its thermal properties, improve texture, color, taste and aroma. Additionally, bioactive compounds may be introduced together with impregnating solutions, thus improving health-promoting properties of the product or facilitating production of functional food. PMID:25244012

Study of electromechanical and mechanical properties of bacteria using force microscopy

NASA Astrophysics Data System (ADS)

Reukov, Vladimir; Thompson, Gary; Nikiforov, Maxim; Guo, Senli; Ovchinnikov, Oleg; Jesse, Stephen; Kalinin, Sergei; Vertegel, Alexey

2010-03-01

The application of scanning probe microscopy (SPM) to biological systems has evolved over the past decade into a multimodal and spectroscopic instrument that provides multiple information channels at each spatial pixel acquired. Recently, functional recognition imaging based on differing electromechanical properties between Gram negative and Gram positive bacteria was achieved using artificial neural network analysis of band excitation piezoresponse force microscopy (BEPFM) data. The immediate goal of this project was to study mechanical and electromechanical properties of bacterial systems physiologically-relevant solutions using Band-width Excitation Piezoresponce Force Microscopy (BE PFM) in combination with Force Mapping. Electromechanical imaging in physiological environments will improve the versatility of functional recognition imaging and open the way for application of the rapid BEPFM line mode method to other living cell systems.

Irradiation of shell egg on the physicochemical and functional properties of liquid egg white.

PubMed

Min, B; Nam, K C; Jo, C; Ahn, D U

2012-10-01

This study was aimed at determining the effect of irradiation of shell eggs on the physiochemical and functional properties of liquid egg white during storage. Color and textural parameters of irradiated liquid egg white after cooking were also determined. Shell eggs were irradiated at 0, 2.5, 5, or 10 kGy using a linear accelerator. Egg white was separated from yolk and stored in at 4°C up to 14 d. Viscosity, pH, turbidity, foaming properties, color, and volatile profile of liquid egg white, and color and texture properties of cooked egg white were determined at 0, 7, and 14 d of storage. Irradiation increased the turbidity but decreased viscosity of liquid egg white. Foaming capacity and foam stability were not affected by irradiation at lower dose (2.5 kGy), but were deteriorated at higher doses (≥5.0 kGy) of irradiation. Sulfur-containing volatiles were generated by irradiation and their amounts increased as the irradiation dose increased. However, the sulfur volatiles disappeared during storage under aerobic conditions. Lightness (L* value) and yellowness (b* value) decreased, but greenness (-a* value) increased in cooked egg white in irradiation dose-dependent manners. All textural parameters (hardness, adhesiveness, cohesiveness, chewiness, and resilience) of cooked egg white increased as the irradiation dose increased, but those changes were marginal. Our results indicated that irradiation of shell egg at lower doses (up to 2.5 kGy) had little negative impact on the physiochemical and functional properties of liquid egg white, but can improve the efficiency of egg processing due to its viscosity-lowering effect. Therefore, irradiation of shell eggs at the lower doses has high potential to be used by the egg processing industry to improve the safety of liquid egg without compromising its quality.

Effect of carbon black functionalization on the analytical performance of a tyrosinase biosensor based on glassy carbon electrode modified with dihexadecylphosphate film.

PubMed

Ibáñez-Redín, Gisela; Silva, Tiago Almeida; Vicentini, Fernando Campanhã; Fatibello-Filho, Orlando

2018-09-01

Carbon Black (CB) has acquired a prominent position as a carbon nanomaterial for the development of electrochemical sensors and biosensors due to its low price and extraordinary electrochemical and physical properties. These properties are highly dependent on the surface chemistry and thus, the effect of functionalization has been widely studied for different applications. Meanwhile, the influence of CB functionalization over its properties for electroanalytical applications is still being poorly explored. In this study, we describe the use of chemically functionalized CB Vulcan XC 72R for the development of sensitive electrochemical biosensors. The chemical pre-treatment increased the material wettability by raising the concentration of surface oxygenated functional groups verified from elemental analysis and FTIR measurements. In addition, it was observed an enhancement of almost 100-fold on the electron transfer rate constant (k 0 ) related to unfunctionalized CB, confirming a remarkable improvement of the electrocatalytic properties. Finally, we constructed a Tyrosinase (Tyr) biosensor based on functionalized CB and dihexadecylphosphate (DHP) for the determination of catechol in water samples. The resulting device displayed an excellent stability with a limit of detection of 8.7 × 10 -8  mol L -1 and a sensitivity of 539 mA mol -1  L. Our results demonstrate that functionalized CB provides an excellent platform for biosensors development. Copyright © 2018 Elsevier Inc. All rights reserved.

An improvement of quantum parametric methods by using SGSA parameterization technique and new elementary parametric functionals

NASA Astrophysics Data System (ADS)

Sánchez, M.; Oldenhof, M.; Freitez, J. A.; Mundim, K. C.; Ruette, F.

A systematic improvement of parametric quantum methods (PQM) is performed by considering: (a) a new application of parameterization procedure to PQMs and (b) novel parametric functionals based on properties of elementary parametric functionals (EPF) [Ruette et al., Int J Quantum Chem 2008, 108, 1831]. Parameterization was carried out by using the simplified generalized simulated annealing (SGSA) method in the CATIVIC program. This code has been parallelized and comparison with MOPAC/2007 (PM6) and MINDO/SR was performed for a set of molecules with C=C, C=H, and H=H bonds. Results showed better accuracy than MINDO/SR and MOPAC-2007 for a selected trial set of molecules.

Improved dielectric properties, mechanical properties, and thermal conductivity properties of polymer composites via controlling interfacial compatibility with bio-inspired method

NASA Astrophysics Data System (ADS)

Ruan, Mengnan; Yang, Dan; Guo, Wenli; Zhang, Liqun; Li, Shuxin; Shang, Yuwei; Wu, Yibo; Zhang, Min; Wang, Hao

2018-05-01

Surface functionalization of Al2O3 nano-particles by mussel-inspired poly(dopamine) (PDA) was developed to improve the dielectric properties, mechanical properties, and thermal conductivity properties of nitrile rubber (NBR) matrix. As strong adhesion of PDA to Al2O3 nano-particles and hydrogen bonds formed by the catechol groups of PDA and the polar acrylonitrile groups of NBR, the dispersion of Al2O3-PDA/NBR composites was improved and the interfacial force between Al2O3-PDA and NBR matrix was enhanced. Thus, the Al2O3-PDA/NBR composites exhibited higher dielectric constant, better mechanical properties, and larger thermal conductivity comparing with Al2O3/NBR composites at the same filler content. The largest thermal conductivity of Al2O3-PDA/NBR composite filled with 30 phr Al2O3-PDA was 0.21 W/m K, which was 122% times of pure NBR. In addition, the Al2O3-PDA/NBR composite filled with 30 phr Al2O3-PDA displayed a high tensile strength about 2.61 MPa, which was about 255% of pure NBR. This procedure is eco-friendly and easy handling, which provides a promising route to polymer composites in application of thermal conductivity field.

Simplified curve fits for the thermodynamic properties of equilibrium air

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

Disk Density Tuning of a Maximal Random Packing

PubMed Central

Ebeida, Mohamed S.; Rushdi, Ahmad A.; Awad, Muhammad A.; Mahmoud, Ahmed H.; Yan, Dong-Ming; English, Shawn A.; Owens, John D.; Bajaj, Chandrajit L.; Mitchell, Scott A.

2016-01-01

We introduce an algorithmic framework for tuning the spatial density of disks in a maximal random packing, without changing the sizing function or radii of disks. Starting from any maximal random packing such as a Maximal Poisson-disk Sampling (MPS), we iteratively relocate, inject (add), or eject (remove) disks, using a set of three successively more-aggressive local operations. We may achieve a user-defined density, either more dense or more sparse, almost up to the theoretical structured limits. The tuned samples are conflict-free, retain coverage maximality, and, except in the extremes, retain the blue noise randomness properties of the input. We change the density of the packing one disk at a time, maintaining the minimum disk separation distance and the maximum domain coverage distance required of any maximal packing. These properties are local, and we can handle spatially-varying sizing functions. Using fewer points to satisfy a sizing function improves the efficiency of some applications. We apply the framework to improve the quality of meshes, removing non-obtuse angles; and to more accurately model fiber reinforced polymers for elastic and failure simulations. PMID:27563162

Disk Density Tuning of a Maximal Random Packing.

PubMed

Ebeida, Mohamed S; Rushdi, Ahmad A; Awad, Muhammad A; Mahmoud, Ahmed H; Yan, Dong-Ming; English, Shawn A; Owens, John D; Bajaj, Chandrajit L; Mitchell, Scott A

2016-08-01

We introduce an algorithmic framework for tuning the spatial density of disks in a maximal random packing, without changing the sizing function or radii of disks. Starting from any maximal random packing such as a Maximal Poisson-disk Sampling (MPS), we iteratively relocate, inject (add), or eject (remove) disks, using a set of three successively more-aggressive local operations. We may achieve a user-defined density, either more dense or more sparse, almost up to the theoretical structured limits. The tuned samples are conflict-free, retain coverage maximality, and, except in the extremes, retain the blue noise randomness properties of the input. We change the density of the packing one disk at a time, maintaining the minimum disk separation distance and the maximum domain coverage distance required of any maximal packing. These properties are local, and we can handle spatially-varying sizing functions. Using fewer points to satisfy a sizing function improves the efficiency of some applications. We apply the framework to improve the quality of meshes, removing non-obtuse angles; and to more accurately model fiber reinforced polymers for elastic and failure simulations.

Modified hyperbolic sine model for titanium dioxide-based memristive thin films

NASA Astrophysics Data System (ADS)

Abu Bakar, Raudah; Syahirah Kamarozaman, Nur; Fazlida Hanim Abdullah, Wan; Herman, Sukreen Hana

2018-03-01

Since the emergence of memristor as the newest fundamental circuit elements, studies on memristor modeling have been evolved. To date, the developed models were based on the linear model, linear ionic drift model using different window functions, tunnelling barrier model and hyperbolic-sine function based model. Although using hyperbolic-sine function model could predict the memristor electrical properties, the model was not well fitted to the experimental data. In order to improve the performance of the hyperbolic-sine function model, the state variable equation was modified. On the one hand, the addition of window function cannot provide an improved fitting. By multiplying the Yakopcic’s state variable model to Chang’s model on the other hand resulted in the closer agreement with the TiO2 thin film experimental data. The percentage error was approximately 2.15%.

Carboxyl functionalization of carbon fibers via aryl diazonium reaction in molten urea to enhance interfacial shear strength

NASA Astrophysics Data System (ADS)

Wang, Yuwei; Meng, Linghui; Fan, Liquan; Wu, Guangshun; Ma, Lichun; Zhao, Min; Huang, Yudong

2016-01-01

Using molten urea as the solvent, carbon fibers were functionalized with carboxylic acid groups via aryl diazonium reaction in 15 min to improve their interfacial bonding with epoxy resin. The surface functionalization was quantified by X-ray photoelectron spectroscopy, which showed that the relative surface coverage of carboxylic acid groups increased from an initial percentage of 3.17-10.41%. Mechanical property test results indicated that the aryl diazonium reaction in this paper could improve the interfacial shear strength by 66%. Meanwhile, the technique did not adopt any pre-oxidation step to produce functional groups prior to grafting and was shown to maintain the tensile strength of the fibers. This methodology provided a rapid, facile and economically viable route to produce covalently functionalized carbon fibers in large quantities with an eco-friendly method.

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

PubMed

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

2017-12-01

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

Toward high throughput optical metamaterial assemblies.

PubMed

Fontana, Jake; Ratna, Banahalli R

2015-11-01

Optical metamaterials have unique engineered optical properties. These properties arise from the careful organization of plasmonic elements. Transitioning these properties from laboratory experiments to functional materials may lead to disruptive technologies for controlling light. A significant issue impeding the realization of optical metamaterial devices is the need for robust and efficient assembly strategies to govern the order of the nanometer-sized elements while enabling macroscopic throughput. This mini-review critically highlights recent approaches and challenges in creating these artificial materials. As the ability to assemble optical metamaterials improves, new unforeseen opportunities may arise for revolutionary optical devices.

The role of rabbit meat as functional food.

PubMed

Dalle Zotte, Antonella; Szendro, Zsolt

2011-07-01

Increasing consumer knowledge of the link between diet and health has raised the awareness and demand for functional food ingredients. Meat and its derivatives may be considered functional foods to the extent that they contain numerous compounds thought to be functional. This review will attempt to outline the excellent nutritional and dietetic properties of rabbit meat and offer an overview of the studies performed on the strategies adopted to improve the functional value of rabbit meat. Dietary manipulation has been seen to be very effective in increasing the levels of essential FA, EPA, DHA, CLA, branched chain FA, vitamin E, and selenium in rabbit meat. Dietary fortification with vitamin E or natural products such as oregano essential oil, chia seed oil, and Spirulina platensis microalga seem promising in improving the oxidative stability of rabbit meat while also adding functional ingredients. Copyright © 2011 Elsevier Ltd. All rights reserved.

Nano-architecture of metal-organic frameworks

NASA Astrophysics Data System (ADS)

Milichko, Valentin A.; Zalogina, Anastasiia; Mingabudinova, Leila R.; Vinogradov, Alexander V.; Ubyivovk, Evgeniy; Krasilin, Andrei A.; Mukhin, Ivan; Zuev, Dmitry A.; Makarov, Sergey V.; Pidko, Evgeny A.

2017-09-01

Change the shape and size of materials supports new functionalities never found in the sources. This strategy has been recently applied for porous crystalline materials - metal-organic frameworks (MOFs) to create hollow nanoscale structures or mesostructures with improved functional properties. However, such structures are characterized by amorphous state or polycrystallinity which limits their applicability. Here we follow this strategy to create such nano- and mesostructures with perfect crystallinity and new photonics functionalities by laser or focused ion beam fabrication.

Fuel cell tubes and method of making same

DOEpatents

Borglum, Brian P.

1999-11-30

A method of manufacturing porous ceramic tubes for fuel cells with improved properties and higher manufacturing yield is disclosed. The method involves extruding a closed end fuel cell tube, such as an air electrode of a solid oxide fuel cell, in which the closed end also functions as the sintering support. The resultant fuel cell tube has a superior porosity distribution which allows improved diffusion of oxygen at the closed end of the tube during operation of the fuel cell. Because this region has the highest current density, performance enhancement and improved reliability of the fuel cell tube result. Furthermore, the higher manufacturing yield associated with the present method decreases the overall fuel cell cost. A method of manufacturing porous ceramic tubes for fuel cells with improved properties and higher manufacturing yield is disclosed. The method involves extruding a closed end fuel cell tube, such as an air electrode of a solid oxide fuel cell, in which the closed end also functions as the sintering support. The resultant fuel cell tube has a superior porosity distribution which allows improved diffusion of oxygen at the closed end of the tube during operation of the fuel cell. Because this region has the highest current density, performance enhancement and improved reliability of the fuel cell tube result. Furthermore, the higher manufacturing yield associated with the present method decreases the overall fuel cell cost.

New type of liquid rubber and compositions based on it.

PubMed

Semikolenov, S V; Nartova, A V; Voronchikhin, V D; Dubkov, K A

2014-11-01

The new method for producing the functionalized polymers and oligomers containing carbonyl C=O groups is developed. The method is based on the noncatalytic oxidation of unsaturated rubbers by nitrous oxide (N2O) at 180-230 °С. The proposed method allows obtaining the new type of functionalized rubbers-liquid unsaturated polyketones with regulated molecular weight and concentration of C=O groups. The influence of the liquid polyketone addition on properties of rubber-based composites is investigated. The study indicates good prospects of using the liquid polyketones for the improvement of properties and operating characteristics of the various types of rubbers and the rubber-cord systems.

Assessment of the psychometric properties of the Short-Form Prolapse/Urinary Incontinence Sexual Questionnaire (PISQ-12) following surgical placement of Prolift+M: a transvaginal partially absorbable mesh system for the treatment of pelvic organ prolapse.

PubMed

Roy, Sanjoy; Mohandas, Anita; Coyne, Karin; Gelhorn, Heather; Gauld, Judi; Sikirica, Vanja; Milani, Alfredo L

2012-04-01

Impairment of sexual function is a significant problem among women suffering from pelvic organ prolapse (POP). Because anatomical measures of POP do not always correspond with patients' subjective reports of their condition, patient-reported outcome measures may provide additional valuable information regarding the experiences of women who have undergone surgery. The Pelvic Organ Prolapse/Urinary Incontinence Sexual Questionnaire (PISQ-12) is a validated, widely used condition-specific questionnaire focused on sexual function among patients with POP or urinary incontinence. This study aims to report sexual function outcomes as measured by PISQ-12 and to evaluate the psychometric characteristics of the questionnaire following surgical mesh implant for the treatment of POP. The PISQ-12 was used to measure sexual function, while a set of other measures, namely, Pelvic Organ Prolapse Quantification, Patient Global Impression of Change, Pelvic Floor Distress Inventory, Pelvic Floor Impact Questionnaire, and Surgical Satisfaction Questionnaire, was used for validation. Data for the study were collected from a prospective multicenter, single-arm study of surgical POP repair via the transvaginal placement of a partially absorbable mesh system. For baseline, month 3, and month 12 following POP surgery, several psychometric properties of the PISQ-12 were evaluated, including internal consistency (Cronbach's alpha), concurrent validity, discriminant validity, and responsiveness. As measured by the PISQ-12 questionnaire, statistically significant improvements were observed in the composite summary score as well as all three subscale scores at 1 year. The PISQ-12 generally demonstrated good psychometric properties including internal consistency reliability, validity, and responsiveness. The PISQ-12 items had good distributional properties at baseline, with substantial ceiling effects at follow-up visits reflecting improvements experienced by the patients. The PISQ-12 is a valid measure of sexual function in studies involving patients with POP. © 2012 International Society for Sexual Medicine.

Density functional calculations on structural materials for nuclear energy applications and functional materials for photovoltaic energy applications (abstract only).

PubMed

Domain, C; Olsson, P; Becquart, C S; Legris, A; Guillemoles, J F

2008-02-13

Ab initio density functional theory calculations are carried out in order to predict the evolution of structural materials under aggressive working conditions such as cases with exposure to corrosion and irradiation, as well as to predict and investigate the properties of functional materials for photovoltaic energy applications. Structural metallic materials used in nuclear facilities are subjected to irradiation which induces the creation of large amounts of point defects. These defects interact with each other as well as with the different elements constituting the alloys, which leads to modifications of the microstructure and the mechanical properties. VASP (Vienna Ab initio Simulation Package) has been used to determine the properties of point defect clusters and also those of extended defects such as dislocations. The resulting quantities, such as interaction energies and migration energies, are used in larger scale simulation methods in order to build predictive tools. For photovoltaic energy applications, ab initio calculations are used in order to search for new semiconductors and possible element substitutions for existing ones in order to improve their efficiency.

Carbon nanotube scaffolds as emerging nanoplatform for myocardial tissue regeneration: A review of recent developments and therapeutic implications.

PubMed

Gorain, Bapi; Choudhury, Hira; Pandey, Manisha; Kesharwani, Prashant; Abeer, Muhammad Mustafa; Tekade, Rakesh Kumar; Hussain, Zahid

2018-08-01

Myocardial infarction (cardiac tissue death) is among the most prevalent causes of death among the cardiac patients due to the inability of self-repair in cardiac tissues. Myocardial tissue engineering is regarded as one of the most realistic strategies for repairing damaged cardiac tissue. However, hindrance in transduction of electric signals across the cardiomyocytes due to insulating properties of polymeric materials worsens the clinical viability of myocardial tissue engineering. Aligned and conductive scaffolds based on Carbon nanotubes (CNT) have gained remarkable recognition due to their exceptional attributes which provide synthetic but viable microenvironment for regeneration of engineered cardiomyocytes. This review presents an overview and critical analysis of pharmaceutical implications and therapeutic feasibility of CNT based scaffolds in improving the cardiac tissue regeneration and functionality. The expository analysis of the available evidence revealed that inclusion of single- or multi-walled CNT into fibrous, polymeric, and elastomeric scaffolds results in significant improvement in electrical stimulation and signal transduction through cardiomyocytes. Moreover, incorporation of CNT in engineering scaffolds showed a greater potential of augmenting cardiomyocyte proliferation, differentiation, and maturation and has improved synchronous beating of cardiomyocytes. Despite promising ability of CNT in promoting functionality of cardiomyocytes, their presence in scaffolds resulted in substantial improvement in mechanical properties and structural integrity. Conclusively, this review provides new insight into the remarkable potential of CNT aligned scaffolds in improving the functionality of engineered cardiac tissue and signifies their feasibility in cardiac tissue regenerative medicines and stem cell therapy. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

Wool shrinkproofing by chemical and ezymatic methods

USDA-ARS?s Scientific Manuscript database

The uniqueness of wool, its functionality, morphology, physical/ mechanical behavior, and aesthetics, continue to be topics for innovative research to improve properties and create novel products. The perennial problems of yellowness, discomfort in wear, and shrinkage have been addressed over time ...

Textural and viscoelastic properties of pork frankfurters containing canola-olive oils, rice bran, and walnut.

PubMed

Álvarez, D; Xiong, Y L; Castillo, M; Payne, F A; Garrido, M D

2012-09-01

Textural, rheological and microstructural properties of frankfurters made with 20% pork backfat, 20% canola or 20% canola-olive (3:1) oils, including rice bran (RB) and walnut extract (WE) as macronutrients (2.5%) were investigated. Textural parameters, including hardness, gumminess and rupture-force, were highly (P<0.05) influenced by the fat-oil composition. Addition of RB or WE in vegetable oil emulsions improved textural consistency (P<0.05). However, RB addition reduced gelling capacity, suggesting antagonistic interactions between fiber and oil droplets. Vegetable oil addition favored gel network formation, and, when combined with WE, showed the highest improvement of gel elasticity. These textural and gelling properties were corroborated by frankfurter micrographs, which revealed interactions between vegetable oils, RB, or WE with protein matrix and fat globules affecting these parameters. The results suggest that functional plant-derived ingredients can be valuable to the modification of frankfurter formulations for improved nutrition and as well as textural quality. Copyright © 2012 Elsevier Ltd. All rights reserved.

Single-step process to improve the mechanical properties of carbon nanotube yarn.

PubMed

Evora, Maria Cecilia; Lu, Xinyi; Hiremath, Nitilaksha; Kang, Nam-Goo; Hong, Kunlun; Uribe, Roberto; Bhat, Gajanan; Mays, Jimmy

2018-01-01

Carbon nanotube (CNT) yarns exhibit low tensile strength compared to conventional high-performance carbon fibers due to the facile sliding of CNTs past one another. Electron beam (e-beam) irradiation was employed for in a single-step surface modification of CNTs to improve the mechanical properties of this material. To this end, CNT yarns were simultaneously functionalized and crosslinked using acrylic acid (AA) and acrylonitrile (AN) in an e-beam irradiation process. The chemical modification of CNT yarns was confirmed by X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and scanning electron microscopy (SEM). The best improvement in mechanical properties was achieved on a sample treated with an aqueous solution of AA and subsequent irradiation. CNT yarn treatment with AA enhanced the strength (444.5 ± 68.4 MPa) by more than 75% and the modulus (21.5 ± 0.6 GPa) by more than 144% as compared to untreated CNT yarn (strength 251 ± 26.5 MPa and modulus 8.8 ± 1.2 GPa).

Single-step process to improve the mechanical properties of carbon nanotube yarn

PubMed Central

Lu, Xinyi; Hiremath, Nitilaksha; Kang, Nam-Goo; Hong, Kunlun; Uribe, Roberto; Bhat, Gajanan; Mays, Jimmy

2018-01-01

Carbon nanotube (CNT) yarns exhibit low tensile strength compared to conventional high-performance carbon fibers due to the facile sliding of CNTs past one another. Electron beam (e-beam) irradiation was employed for in a single-step surface modification of CNTs to improve the mechanical properties of this material. To this end, CNT yarns were simultaneously functionalized and crosslinked using acrylic acid (AA) and acrylonitrile (AN) in an e-beam irradiation process. The chemical modification of CNT yarns was confirmed by X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and scanning electron microscopy (SEM). The best improvement in mechanical properties was achieved on a sample treated with an aqueous solution of AA and subsequent irradiation. CNT yarn treatment with AA enhanced the strength (444.5 ± 68.4 MPa) by more than 75% and the modulus (21.5 ± 0.6 GPa) by more than 144% as compared to untreated CNT yarn (strength 251 ± 26.5 MPa and modulus 8.8 ± 1.2 GPa). PMID:29527431

Physico-functional and mechanical properties of chitosan and calcium salts incorporated fish gelatin scaffolds.

PubMed

Jeevithan, E; Jeya Shakila, R; Varatharajakumar, A; Jeyasekaran, G; Sukumar, D

2013-09-01

Four types of fish gelatin scaffolds viz. gelatin (G), gelatin-chitosan (GC), gelatin-calcium acetate (GCA) and gelatin-chitosan-calcium acetate (GCCA) prepared were investigated for their functional properties, biomechanical strength, microstructural changes in relation to biodegradation. GC scaffold was superior with pH 3.15 and viscosity 9.40 cP. Chitosan and calcium acetate improved tensile strength (TS) and Young's modulus (YM), but lowered elongation at break (EAB). GCCA scaffold possessed moderate TS of 19.6 MPa, EAB of 4.76% and YM of 185 MPa. Foaming ability ratio of GC scaffold was high (3.41). GCA and GCCA scaffolds remained for 4 days before complete in vitro biodegradation. GC scaffold had larger cavities (180-300 μm) that were responsible for low swelling ratios and shrinkage factor. GCCA scaffold with moderate swelling rates, mechanical, functional properties and lowered biodegradation rate were found more suitable for biomedical applications. Copyright © 2013 Elsevier B.V. All rights reserved.

Changes in the functional properties and antinutritional factors of extruded hard-to-cook common beans (Phaseolus vulgaris, L.).

PubMed

Batista, Karla A; Prudêncio, Sandra H; Fernandes, Kátia F

2010-04-01

The biochemical and functional properties of 2 hard-to-cook common bean cultivars (Phaseolus vulgaris, L.) were investigated after the extrusion process. Beans of BRS pontal and BRS grafite cultivars were milled and extruded at 150 degrees C, with a compression ratio screw of 3 : 1, 5-mm die, and screw speed of 150 rpm. Extrudate flours were evaluated for water solubility (WS), water absorption index (WAI), oil absorption capacity (OAC), foaming capacity (FC), emulsifying activity (EA), antinutritional factors, and in vitro protein and starch digestibility. Results indicated that the extrusion significantly decreased antinutrients such as phytic acid, lectin, alpha-amylase, and trypsin inhibitors, reduced the emulsifying capacity and eliminated the FC in both BRS pontal and BRS grafite cultivars. In addition, the WS, WAI, and in vitro protein and starch digestibility were improved by the extrusion process. These results indicate that it is possible to produce new extruded products with good functional and biochemical properties from these common bean cultivars.

β-Lactoglobulin as nanotransporter for allicin: Sensory properties and applicability in food.

PubMed

Wilde, Sandra Catharina; Keppler, Julia Katharina; Palani, Kalpana; Schwarz, Karin

2016-05-15

The thiosulfinate allicin is a labile, bioactive compound of garlic. In order to enrich allicin in a functional food, a delivery system which stabilises the compound and masks its intense flavour is necessary. In the present study allicin was covalently bound to the whey protein β-lactoglobulin and the incorporation of this transporter in a food matrix was tested. The sensory properties of the pure functional ingredient as well as of an enriched beverage were characterised by quantitative descriptive analysis. The concentration of volatile compounds was analysed by headspace gas chromatography-mass spectrometry. The garlic-related organoleptic properties of garlic powder were significantly improved by the binding of allicin in combination with spray drying. After purification of the modified β-lactoglobulin the garlic taste and smell were barely perceptible. β-Lactoglobulin modified with allicin provided a stable functional ingredient that can be used to enrich a broad range of food products. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effect of acidification conditions on the properties of carbon nanotube fibers

NASA Astrophysics Data System (ADS)

Wang, Kun; Li, Min; Liu, Ya-Nan; Gu, Yizhuo; Li, Qingwen; Zhang, Zuoguang

2014-02-01

Carbon nanotube (CNT) fibers prepared by dry-spun method were functionalized by mixture of nitric and sulfuric acids. The effects of acidification conditions on the electrical conductivity and tensile properties of CNT fibers were investigated. A strong, high conductive CNT fiber was obtained under the optimal mixture ratio and processing time, with a electrical conductivity and tensile strength up to 3.2 × 104 S/m and 1103 MPa, respectively. It showed that the acids densified the surface of the CNT fiber and introduced functional groups onto the tubes, both of which contributed to the conductivity improvement of the CNT fiber. The infrared spectroscopy, Raman and fracture analysis indicated that acidification process resulted in two competitive effects on the tensile properties of CNT fibers, one was the positive contribution by the enhancement of interactions between CNTs through the densification and functional groups, and the other was the negative effect due to the structural destruction of the tubes.

Functional Electrospun Nanofibrous Scaffolds for Biomedical Applications

PubMed Central

Liang, Dehai; Hsiao, Benjamin S.; Chu, Benjamin

2009-01-01

Functional nanofibrous scaffolds produced by electrospinning have great potential in many biomedical applications, such as tissue engineering, wound dressing, enzyme immobilization and drug (gene) delivery. For a specific successful application, the chemical, physical and biological properties of electrospun scaffolds should be adjusted to match the environment by using a combination of multi-component compositions and fabrication techniques where electrospinning has often become a pivotal tool. The property of the nanofibrous scaffold can be further improved with innovative development in electrospinning processes, such as two-component electrospinning and in-situ mixing electrospinning. Post modifications of electrospun membranes also provide effective means to render the electrospun scaffolds with controlled anisotropy and porosity. In this review, we review the materials, techniques and post modification methods to functionalize electrospun nanofibrous scaffolds suitable for biomedical applications. PMID:17884240

KIDS Nuclear Energy Density Functional: 1st Application in Nuclei

NASA Astrophysics Data System (ADS)

Gil, Hana; Papakonstantinou, Panagiota; Hyun, Chang Ho; Oh, Yongseok

We apply the KIDS (Korea: IBS-Daegu-Sungkyunkwan) nuclear energy density functional model, which is based on the Fermi momentum expansion, to the study of properties of lj-closed nuclei. The parameters of the model are determined by the nuclear properties at the saturation density and theoretical calculations on pure neutron matter. For applying the model to the study of nuclei, we rely on the Skyrme force model, where the Skyrme force parameters are determined through the KIDS energy density functional. Solving Hartree-Fock equations, we obtain the energies per particle and charge radii of closed magic nuclei, namely, 16O, 28O, 40Ca, 48Ca, 60Ca, 90Zr, 132Sn, and 208Pb. The results are compared with the observed data and further improvement of the model is shortly mentioned.

Functionalized Gold Nanorods for Tumor Imaging and Targeted Therapy

PubMed Central

Gui, Chen; Cui, Da-xiang

2012-01-01

Gold nanorods, as an emerging noble metal nanomaterial with unique properties, have become the new exciting focus of theoretical and experimental studies in the past few years. The structure and function of gold nanorods, especially their biocompatibility, optical property, and photothermal effects, have been attracting more and more attention. Gold nanorods exhibit great potential in applications such as tumor molecular imaging and photothermal therapy. In this article, we review some of the main advances made over the past few years in the application of gold nanorods in surface functionalization, molecular imaging, and photothermal therapy. We also explore other prospective applications and discuss the corresponding concepts, issues, approaches, and challenges, with the aim of stimulating broader interest in gold nanorod-based nanotechnology and improving its practical application. PMID:23691482

The improvement in functional characteristics of eco-friendly composites made of natural rubber and cellulose

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

Araki, Kunihiro; Kaneko, Shonosuke; Matsumoto, Koki

We investigated the efficient use of cellulose to resolve the problem of the depletion of fossil resources. In this study, as the biomass material, the green composite based on natural rubber (NR) and the flake-shaped cellulose particles (FSCP) was produced. In order to further improvement of functional characteristics, epoxidized natural rubber (ENR) was also used instead of NR. The FSCP were produced by mechanical milling in a planetary ball mill with a grinding aid as a cellulose aggregation inhibitor. Moreover, talc and mica particles were used to compare with FSCP. NR and ENR was mixed with vulcanizing agents and thenmore » each filler was added to NR compound in an internal mixer. The vulcanizing agents are as follows: stearic acid, zinc oxide, sulfur, and vulcanization accelerator. The functionalities of the composites were evaluated by a vibration-damping experiment and a gas permeability experiment. As a result, we found that FSCP filler has effects similar to (or more than) inorganic filler in vibration-damping and O{sub 2} barrier properties. And then, vibration- damping and O{sub 2} barrier properties of the composite including FSCP was increased with use of ENR. In particular, we found that ENR-50 composite containing 50 phr FSCP has three times as high vibration-damping property as ENR-50 without FSCP.« less

α-Amino acid containing degradable polymers as functional biomaterials: rational design, synthetic pathway, and biomedical applications.

PubMed

Sun, Huanli; Meng, Fenghua; Dias, Aylvin A; Hendriks, Marc; Feijen, Jan; Zhong, Zhiyuan

2011-06-13

Currently, biomedical engineering is rapidly expanding, especially in the areas of drug delivery, gene transfer, tissue engineering, and regenerative medicine. A prerequisite for further development is the design and synthesis of novel multifunctional biomaterials that are biocompatible and biologically active, are biodegradable with a controlled degradation rate, and have tunable mechanical properties. In the past decades, different types of α-amino acid-containing degradable polymers have been actively developed with the aim to obtain biomimicking functional biomaterials. The use of α-amino acids as building units for degradable polymers may offer several advantages: (i) imparting chemical functionality, such as hydroxyl, amine, carboxyl, and thiol groups, which not only results in improved hydrophilicity and possible interactions with proteins and genes, but also facilitates further modification with bioactive molecules (e.g., drugs or biological cues); (ii) possibly improving materials biological properties, including cell-materials interactions (e.g., cell adhesion, migration) and degradability; (iii) enhancing thermal and mechanical properties; and (iv) providing metabolizable building units/blocks. In this paper, recent developments in the field of α-amino acid-containing degradable polymers are reviewed. First, synthetic approaches to prepare α-amino acid-containing degradable polymers will be discussed. Subsequently, the biomedical applications of these polymers in areas such as drug delivery, gene delivery and tissue engineering will be reviewed. Finally, the future perspectives of α-amino acid-containing degradable polymers will be evaluated.

Multi-Anion Intercalated Layered Double Hydroxide Nanosheet-Assembled Hollow Nanoprisms with Improved Pseudocapacitive and Electrocatalytic Properties.

PubMed

Li, Zhengping; Han, Fangchun; Li, Cheng; Jiao, Xiuling; Chen, Dairong

2018-05-04

Electrochemically active hollow nanostructured materials hold great promise in diverse energy conversion and storage applications, however, intricate synthesis steps and poor control over compositions and morphologies have limited the realization of delicate hollow structures with advanced functional properties. In this study, we demonstrate a one-step wet-chemical strategy for co-engineering the hollow nanostructure and anion intercalation of nickel cobalt layered double hydroxide (NiCo-LDH) to attain highly electrochemical active energy conversion and storage functionalities. Self-templated pseudomorphic transformation of cobalt acetate hydroxide solid nanoprisms using nickel nitrate leads to the construction of well-defined NiCo-LDH hollow nanoprisms (HNPs) with multi-anion intercalation. The unique hierarchical nanosheet-assembled hollow structure and efficiently expanded interlayer spacing offer an increased surface area and exposure of active sites, reduced mass and charge transfer resistance, and enhanced stability of the materials. This leads to a significant improvement in the pseudocapacitive and electrocatalytic properties of NiCo-LDH HNP with respect to specific capacitance, rate and cycling performance, and OER overpotential, outperforming most of the recently reported NiCo-based materials. This work establishes the potential of manipulating sacrificial template transformation for the design and fabrication of novel classes of functional materials with well-defined nanostructures for electrochemical applications and beyond. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mechanical Adaptability of the MMP-Responsive Film Improves the Functionality of Endothelial Cell Monolayer.

PubMed

Hu, Mi; Chang, Hao; Zhang, He; Wang, Jing; Lei, Wen-Xi; Li, Bo-Chao; Ren, Ke-Feng; Ji, Jian

2017-07-01

Extracellular matrix and cells are inherent in coordinating and adapting to each other during all physiological and pathological processes. Synthetic materials, however, show rarely reciprocal and spatiotemporal responses to cells, and lacking self-adapting properties as well. Here, a mechanical adaptability based on the matrix metalloproteinase (MMPs) sensitive polyelectrolyte film is reported. Poly-lysine (PLL) and methacrylated hyaluronic acid (HA-MA) nanolayers are employed to build the thin film through the layer-by-layer assembly, and it is further crosslinked using MMP sensitive peptides, which endows the films with changeable mechanical properties in response to MMPs. It is demonstrated that stiffness of the (PLL/HA-MA) films increases with the crosslinking, and then decreases in response to a treatment of enzyme. Consequently, the crosslinked (PLL/HA-MA) films reveal effective growth of endothelial cells (ECs), leading to fast formation of EC monolayer. Importantly, significantly improved endothelial function of the EC monolayer, which is characterized by integrity, biomolecules release, expression of function related gene, and antithrombotic properties, is achieved along with the decrosslinking of the film because of EC-secreted MMPs. These results suggest that mechanical adaptability of substrate in Young's modulus plays a significant role in endothelial progression, which shows great application potential in tissue engineering, regenerative medicine, and organ-on-a-chip. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed Central

Brown, Philip S.; Bhushan, Bharat

2015-01-01

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

Improving the interfacial and mechanical properties of short glass fiber/epoxy composites by coating the glass fibers with cellulose nanocrystals

Treesearch

A. Asadi; M. Miller; Robert Moon; K. Kalaitzidou

2016-01-01

In this study, the interfacial and mechanical properties of cellulose nanocrystals (CNC) coated glass fiber/epoxy composites were investigated as a function of the CNC content on the surface of glass fibers (GF). Chopped GF rovings were coated with CNC by immersing the GF in CNC (0–5 wt%) aqueous suspensions. Single fiber fragmentation (SFF) tests showed that the...

Co-Transplantation of Olfactory Ensheathing Cells from Mucosa and Bulb Origin Enhances Functional Recovery after Peripheral Nerve Lesion

PubMed Central

Bon-Mardion, Nicolas; Duclos, Célia; Genty, Damien; Jean, Laetitia; Boyer, Olivier; Marie, Jean-Paul

2011-01-01

Olfactory ensheathing cells (OECs) represent an interesting candidate for cell therapy and could be obtained from olfactory mucosa (OM-OECs) or olfactory bulbs (OB-OECs). Recent reports suggest that, depending on their origin, OECs display different functional properties. We show here the complementary and additive effects of co-transplanting OM-OECs and OB-OECs after lesion of a peripheral nerve. For this, a selective motor denervation of the laryngeal muscles was performed by a section/anastomosis of the recurrent laryngeal nerve (RLN). Two months after surgery, recovery of the laryngeal movements and synkinesis phenonema were analyzed by videolaryngoscopy. To complete these assessments, measure of latency and potential duration were determined by electrophysiological recordings and myelinated nerve fiber profiles were defined based on toluidine blue staining. To explain some of the mechanisms involved, tracking of GFP positive OECs was performed. It appears that transplantation of OM-OECs or OB-OECs displayed opposite abilities to improve functional recovery. Indeed, OM-OECs increased recuperation of laryngeal muscles activities without appropriate functional recovery. In contrast, OB-OECs induced some functional recovery by enhancing axonal regrowth. Importantly, co-transplantation of OM-OECs and OB-OECs supported a major functional recovery, with reduction of synkinesis phenomena. This study is the first which clearly demonstrates the complementary and additive properties of OECs obtained from olfactory mucosa and olfactory bulb to improve functional recovery after transplantation in a nerve lesion model. PMID:21826209

Cyclodextrin modified PLLA parietal reinforcement implant with prolonged antibacterial activity.

PubMed

Vermet, G; Degoutin, S; Chai, F; Maton, M; Flores, C; Neut, C; Danjou, P E; Martel, B; Blanchemain, N

2017-04-15

The use of textile meshes in hernia repair is widespread in visceral surgery. Though, mesh infection is a complication that may prolong the patient recovery period and consequently presents an impact on public health economy. Such concern can be avoided thanks to a local and extended antibiotic release on the operative site. In recent developments, poly-l-lactic acid (PLLA) has been used in complement of polyethyleneterephthalate (Dacron®) (PET) or polypropylene (PP) yarns in the manufacture of semi-resorbable parietal implants. The goal of the present study consisted in assigning drug reservoir properties and prolonged antibacterial effect to a 100% PLLA knit through its functionalization with a cyclodextrin polymer (polyCD) and activation with ciprofloxacin. The study focused i) on the control of degree of polyCD functionalization of the PLLA support and on its physical and biological characterization by Scanning Electron Microscopy (SEM), Differential Scanning Calorimetry (DSC) and cell viability, ii) on the understanding of drug/meshes interaction using mathematic model and iii) on the correlation between drug release studies in phosphate buffer saline (PBS) and microbiological evaluation of meshes and release medium against E. coli and S. aureus. All above mentioned tests highlighted the contribution of polyCD on the improved performances of the resulting antibacterial implantable material. 1. We managed for the first time, with well-defined parameters in terms of temperature and time of treatment, to functionalize a bio-absorbable synthetic material to improve drug sorption and drug release properties without affecting its mechanical properties. 2. We analyzed for the first time the degradation of our coating products by mass spectroscopy to show that only citrate and cyclodextrin residues (and glucose units) without any cytotoxicity are formed. 3. We managed to improve the mechanical properties of the PLA with the cyclodextrin polymer to form a composite. The assembly (cyclodextrin polymer and PLLA) remains biodegradable. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Field emission study of carbon nanostructures

NASA Astrophysics Data System (ADS)

Zhao, Xin

Recently, carbon nanosheets (CNS), a novel nanostructure, were developed in our laboratory as a field emission source for high emission current. To characterize, understand and improve the field emission properties of CNS, a ultra-high vacuum surface analysis system was customized to conduct relevant experimental research in four distinct areas. The system includes Auger electron spectroscopy (AES), field emission energy spectroscopy (FEES), field emission I-V testing, and thermal desorption spectroscopy (TDS). Firstly, commercial Mo single tips were studied to calibrate the customized system. AES and FEES experiments indicate that a pyramidal nanotip of Ca and O elements formed on the Mo tip surface by field induced surface diffusion. Secondly, field emission I-V testing on CNS indicates that the field emission properties of pristine nanosheets are impacted by adsorbates. For instance, in pristine samples, field emission sources can be built up instantaneously and be characterized by prominent noise levels and significant current variations. However, when CNS are processed via conditioning (run at high current), their emission properties are greatly improved and stabilized. Furthermore, only H2 desorbed from the conditioned CNS, which indicates that only H adsorbates affect emission. Thirdly, the TDS study on nanosheets revealed that the predominant locations of H residing in CNS are sp2 hybridized C on surface and bulk. Fourthly, a fabricating process was developed to coat low work function ZrC on nanosheets for field emission enhancement. The carbide triple-peak in the AES spectra indicated that Zr carbide formed, but oxygen was not completely removed. The Zr(CxOy) coating was dispersed as nanobeads on the CNS surface. Although the work function was reduced, the coated CNS emission properties were not improved due to an increased beta factor. Further analysis suggest that for low emission current (<1 uA), the H adsorbates affect emission by altering the work function. In high emission current (>10 uA), thermal, ionic or electronic transition effects may occur, which differently affect the field emission process.

Effects of nanoscale aggregation on mechanical properties and local dynamics of precise acid- and ion-containing polymers

NASA Astrophysics Data System (ADS)

Middleton, Luri Robert

Acid- and ion-containing polymers have interchain interactions that alter polymer behavior at the nano, micro, and bulk length scales. Strong secondary-bonds act as thermo-reversible physical crosslinks between chains which drive self-assembly. Tuning theses interactions can modify bulk polymer properties including stiffness, toughness, melt viscosity, resilience, clarity, abrasion resistance and puncture resistance. Furthermore, understanding and improving the relevant factors that control transport properties would have vast implications on developing solid polymer electrolytes (SPEs) for technologically important applications including water desalination, ion exchange membranes and microelectronics. This thesis explores the structure - processing - morphology - property relationships of acid and ionic functionalized polymers. Improvements in synthetic techniques and advancements in characterization methods have enabled new studies of associating polymer systems. Synthesis of entangled, high molecular weight, linear polyethylene (PE) chains functionalized with interacting pendant groups (acidic or ionic) placed periodically along the polymer backbone represent a new class of associating polymers. These polymers with periodic distributions of acid groups are much more homogenous than the commercially available polymers. Previous studies of these polymers with greater structural homogeneity revealed great variety in morphologies of the nano-aggregated polar groups within the non-polar polymer matrix. This thesis correlated the morphologies with bulk properties through real-time X-ray scattering and tensile deformation at a range of temperatures and sample compositions. New, transient morphologies and hierarchical morphologies were observed which coincided with unusual tensile strain hardening. These results indicate that improvements in synthetic control of polymers can enhance physical properties such as tensile strain-hardening, through cooperative bonding between chains. The structural regularity of precise polyethylenes also enables robust comparisons between experiments and computer simulations. At pico- to nano-seconds time scales and length scales of polymer and aggregate dynamics, neutron scattering and molecular dynamics simulations were combined to extend the knowledge of the molecular-level aggregated polymer dynamics. These experiments provide a baseline for future studies of ion-conduction in associating polymer melts.

Improved Functional Characteristics of Whey Protein Hydrolysates in Food Industry

PubMed Central

Jeewanthi, Renda Kankanamge Chaturika; Lee, Na-Kyoung; Paik, Hyun-Dong

2015-01-01

This review focuses on the enhanced functional characteristics of enzymatic hydrolysates of whey proteins (WPHs) in food applications compared to intact whey proteins (WPs). WPs are applied in foods as whey protein concentrates (WPCs), whey protein isolates (WPIs), and WPHs. WPs are byproducts of cheese production, used in a wide range of food applications due to their nutritional validity, functional activities, and cost effectiveness. Enzymatic hydrolysis yields improved functional and nutritional benefits in contrast to heat denaturation or native applications. WPHs improve solubility over a wide range of pH, create viscosity through water binding, and promote cohesion, adhesion, and elasticity. WPHs form stronger but more flexible edible films than WPC or WPI. WPHs enhance emulsification, bind fat, and facilitate whipping, compared to intact WPs. Extensive hydrolyzed WPHs with proper heat applications are the best emulsifiers and addition of polysaccharides improves the emulsification ability of WPHs. Also, WPHs improve the sensorial properties like color, flavor, and texture but impart a bitter taste in case where extensive hydrolysis (degree of hydrolysis greater than 8%). It is important to consider the type of enzyme, hydrolysis conditions, and WPHs production method based on the nature of food application. PMID:26761849

Improved Functional Characteristics of Whey Protein Hydrolysates in Food Industry.

PubMed

Jeewanthi, Renda Kankanamge Chaturika; Lee, Na-Kyoung; Paik, Hyun-Dong

2015-01-01

This review focuses on the enhanced functional characteristics of enzymatic hydrolysates of whey proteins (WPHs) in food applications compared to intact whey proteins (WPs). WPs are applied in foods as whey protein concentrates (WPCs), whey protein isolates (WPIs), and WPHs. WPs are byproducts of cheese production, used in a wide range of food applications due to their nutritional validity, functional activities, and cost effectiveness. Enzymatic hydrolysis yields improved functional and nutritional benefits in contrast to heat denaturation or native applications. WPHs improve solubility over a wide range of pH, create viscosity through water binding, and promote cohesion, adhesion, and elasticity. WPHs form stronger but more flexible edible films than WPC or WPI. WPHs enhance emulsification, bind fat, and facilitate whipping, compared to intact WPs. Extensive hydrolyzed WPHs with proper heat applications are the best emulsifiers and addition of polysaccharides improves the emulsification ability of WPHs. Also, WPHs improve the sensorial properties like color, flavor, and texture but impart a bitter taste in case where extensive hydrolysis (degree of hydrolysis greater than 8%). It is important to consider the type of enzyme, hydrolysis conditions, and WPHs production method based on the nature of food application.

Shape Memory Polyurethane Materials Containing Ferromagnetic Iron Oxide and Graphene Nanoplatelets

PubMed Central

Urban, Magdalena

2017-01-01

Intelligent materials, such as memory shape polymers, have attracted considerable attention due to wide range of possible applications. Currently, intensive research is underway, in matters of obtaining memory shape materials that can be actuated via inductive methods, for example with help of magnetic field. In this work, an attempt was made to develop a new polymer composite—polyurethane modified with graphene nanoplates and ferromagnetic iron oxides—with improved mechanical properties and introduced magnetic and memory shape properties. Based on the conducted literature review, gathered data were compared to the results of similar materials. Obtained materials were tested for their thermal, rheological, mechanical and shape memory properties. Structure of both fillers and composites were also analyzed using various spectroscopic methods. The addition of fillers to the polyurethane matrix improved the mechanical and shape memory properties, without having a noticeable impact on thermal properties. As it was expected, the high content of fillers caused a significant change in viscosity of filled prepolymers (during the synthesis stage). Each of the studied composites showed better mechanical properties than the unmodified polyurethanes. The addition of magnetic particles introduced additional properties to the composite, which could significantly expand the functionality of the materials developed in this work. PMID:28906445

Shape Memory Polyurethane Materials Containing Ferromagnetic Iron Oxide and Graphene Nanoplatelets.

PubMed

Urban, Magdalena; Strankowski, Michał

2017-09-14

Intelligent materials, such as memory shape polymers, have attracted considerable attention due to wide range of possible applications. Currently, intensive research is underway, in matters of obtaining memory shape materials that can be actuated via inductive methods, for example with help of magnetic field. In this work, an attempt was made to develop a new polymer composite-polyurethane modified with graphene nanoplates and ferromagnetic iron oxides-with improved mechanical properties and introduced magnetic and memory shape properties. Based on the conducted literature review, gathered data were compared to the results of similar materials. Obtained materials were tested for their thermal, rheological, mechanical and shape memory properties. Structure of both fillers and composites were also analyzed using various spectroscopic methods. The addition of fillers to the polyurethane matrix improved the mechanical and shape memory properties, without having a noticeable impact on thermal properties. As it was expected, the high content of fillers caused a significant change in viscosity of filled prepolymers (during the synthesis stage). Each of the studied composites showed better mechanical properties than the unmodified polyurethanes. The addition of magnetic particles introduced additional properties to the composite, which could significantly expand the functionality of the materials developed in this work.

Enhancement of the interface in poly(L-lactide) and poly(propylidene carbonate) blends by introducing of poly(L-lactide)-grafted graphene oxide to improve mechanical properties

NASA Astrophysics Data System (ADS)

Li, Qi; Qin, Shengxue; Tian, Xiujuan; Chen, Xueyang; Chen, Yunlei; Niu, Yanhua; Zhao, Lifen

2018-03-01

Enhancement of the interfacial structure has great significances in achieving polymer blends with high mechanical performance. To improve the mechanical properties of poly(L-lactide) (PLLA)/poly(propylidene carbonate) (PPC) blends, the covalent functionalized graphene oxide by PLLA chains (PLLA-g-GO) was synthesized by a two-step strategy. It could migrate from the thermally preferred PPC phase to the interfaces of PLLA and PPC and promote the formation of a network-like structure. As a consequence, the tensile strength and elongation at break were both improved. Furthermore, the PLLA-g-GO located at the interface could induce the crystallization at the boundary, which brought the significant improvement of the tensile strength and elongation at break. This result may be beneficial for designing high-performance PLLA materials.

Feasibility of using microencapsulated phase change materials as filler for improving low temperature performance of rubber sealing materials.

PubMed

Tiwari, Avinash; Shubin, Sergey N; Alcock, Ben; Freidin, Alexander B; Thorkildsen, Brede; Echtermeyer, Andreas T

2017-11-01

The feasibility of a novel composite rubber sealing material to improve sealing under transient cooling (in a so-called blowdown scenario) is investigated here. A composite of hydrogenated nitrile butadiene rubber (HNBR) filled with Micro Encapsulated Phase Change Materials (MEPCM) is described. The fillers contain phase change materials that release heat during the phase transformation from liquid to solid while cooling. This exotherm locally heats the rubber and may improve the function of the seal during a blowdown event. A representative HNBR-MEPCM composite was made and the critical thermal and mechanical properties were obtained by simulating the temperature distribution during a blowdown event. Simulations predict that the MEPCM composites can delay the temperature decrease in a region of the seal during the transient blowdown. A sensitivity analysis of material properties is also presented which highlights possible avenues of improvement of the MEPCMs for sealing applications.

Functionalization of vertically aligned carbon nanotubes.

PubMed

Van Hooijdonk, Eloise; Bittencourt, Carla; Snyders, Rony; Colomer, Jean-François

2013-01-01

This review focuses and summarizes recent studies on the functionalization of carbon nanotubes oriented perpendicularly to their substrate, so-called vertically aligned carbon nanotubes (VA-CNTs). The intrinsic properties of individual nanotubes make the VA-CNTs ideal candidates for integration in a wide range of devices, and many potential applications have been envisaged. These applications can benefit from the unidirectional alignment of the nanotubes, the large surface area, the high carbon purity, the outstanding electrical conductivity, and the uniformly long length. However, practical uses of VA-CNTs are limited by their surface characteristics, which must be often modified in order to meet the specificity of each particular application. The proposed approaches are based on the chemical modifications of the surface by functionalization (grafting of functional chemical groups, decoration with metal particles or wrapping of polymers) to bring new properties or to improve the interactions between the VA-CNTs and their environment while maintaining the alignment of CNTs.

Functionalization of vertically aligned carbon nanotubes

PubMed Central

Snyders, Rony; Colomer, Jean-François

2013-01-01

Summary This review focuses and summarizes recent studies on the functionalization of carbon nanotubes oriented perpendicularly to their substrate, so-called vertically aligned carbon nanotubes (VA-CNTs). The intrinsic properties of individual nanotubes make the VA-CNTs ideal candidates for integration in a wide range of devices, and many potential applications have been envisaged. These applications can benefit from the unidirectional alignment of the nanotubes, the large surface area, the high carbon purity, the outstanding electrical conductivity, and the uniformly long length. However, practical uses of VA-CNTs are limited by their surface characteristics, which must be often modified in order to meet the specificity of each particular application. The proposed approaches are based on the chemical modifications of the surface by functionalization (grafting of functional chemical groups, decoration with metal particles or wrapping of polymers) to bring new properties or to improve the interactions between the VA-CNTs and their environment while maintaining the alignment of CNTs. PMID:23504581

Description of quasiparticle and satellite properties via cumulant expansions of the retarded one-particle Green's function

DOE PAGES

Mayers, Matthew Z.; Hybertsen, Mark S.; Reichman, David R.

2016-08-22

A cumulant-based GW approximation for the retarded one-particle Green's function is proposed, motivated by an exact relation between the improper Dyson self-energy and the cumulant generating function. We explore qualitative aspects of this method within a simple one-electron independent phonon model, where it is seen that the method preserves the energy moment of the spectral weight while also reproducing the exact Green's function in the weak-coupling limit. For the three-dimensional electron gas, this method predicts multiple satellites at the bottom of the band, albeit with inaccurate peak spacing. But, its quasiparticle properties and correlation energies are more accurate than bothmore » previous cumulant methods and standard G0W0. These results point to features that may be exploited within the framework of cumulant-based methods and suggest promising directions for future exploration and improvements of cumulant-based GW approaches.« less

Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn–Sham frontier orbital energies

NASA Astrophysics Data System (ADS)

Zhang, DaDi; Yang, Xiaolong; Zheng, Xiao; Yang, Weitao

2018-04-01

Electron affinity (EA) is the energy released when an additional electron is attached to an atom or a molecule. EA is a fundamental thermochemical property, and it is closely pertinent to other important properties such as electronegativity and hardness. However, accurate prediction of EA is difficult with density functional theory methods. The somewhat large error of the calculated EAs originates mainly from the intrinsic delocalisation error associated with the approximate exchange-correlation functional. In this work, we employ a previously developed non-empirical global scaling correction approach, which explicitly imposes the Perdew-Parr-Levy-Balduz condition to the approximate functional, and achieve a substantially improved accuracy for the calculated EAs. In our approach, the EA is given by the scaling corrected Kohn-Sham lowest unoccupied molecular orbital energy of the neutral molecule, without the need to carry out the self-consistent-field calculation for the anion.

Assimilation of optical and radar remote sensing data in 3D mapping of soil properties over large areas.

PubMed

Poggio, Laura; Gimona, Alessandro

2017-02-01

Soil is very important for many land functions. To achieve sustainability it is important to understand how soils vary over space in the landscape. Remote sensing data can be instrumental in mapping and spatial modelling of soil properties, resources and their variability. The aims of this study were to compare satellite sensors (MODIS, Landsat, Sentinel-1 and Sentinel-2) with varying spatial, temporal and spectral resolutions for Digital Soil Mapping (DSM) of a set of soil properties in Scotland, evaluate the potential benefits of adding Sentinel-1 data to DSM models, select the most suited mix of sensors for DSM to map the considered set of soil properties and validate the results of topsoil (2D) and whole profile (3D) models. The results showed that the use of a mixture of sensors proved more effective to model and map soil properties than single sensors. The use of radar Sentinel-1 data proved useful for all soil properties, improving the prediction capability of models with only optical bands. The use of MODIS time series provided stronger relationships than the use of temporal snapshots. The results showed good validation statistics with a RMSE below 20% of the range for all considered soil properties. The RMSE improved from previous studies including only MODIS sensor and using a coarser prediction grid. The performance of the models was similar to previous studies at regional, national or continental scale. A mix of optical and radar data proved useful to map soil properties along the profile. The produced maps of soil properties describing both lateral and vertical variability, with associated uncertainty, are important for further modelling and management of soil resources and ecosystem services. Coupled with further data the soil properties maps could be used to assess soil functions and therefore conditions and suitability of soils for a range of purposes. Copyright © 2016 Elsevier B.V. All rights reserved.

Favorable effects of concord grape juice on endothelial function and arterial stiffness in healthy smokers.

PubMed

Siasos, Gerasimos; Tousoulis, Dimitris; Kokkou, Eleni; Oikonomou, Evangelos; Kollia, Maria-Eleni; Verveniotis, Aleksis; Gouliopoulos, Nikolaos; Zisimos, Konstantinos; Plastiras, Aris; Maniatis, Konstantinos; Stefanadis, Christodoulos

2014-01-01

Smoking is associated with impaired vascular function. Concord grape juice (CGJ), a rich source of flavonoids, can modify cardiovascular risk factors. Endothelial function and arterial stiffness are surrogate markers of arterial health. We examined the impact of CGJ on arterial wall properties in healthy smokers. We studied the effect of a 2-week oral treatment with CGJ in 26 healthy smokers on 3 occasions (day 0 (baseline), day 7, and day 14) in a randomized, placebo-controlled, double-blind, crossover study. Measurements were taken before (pSm), immediately after (Sm0), and 20 minutes after (Sm20) cigarette smoking. Endothelial function was evaluated by flow-mediated dilation (FMD) of the brachial artery. Carotid-femoral pulse wave velocity (PWV) was measured as an index of aortic stiffness. Compared with placebo, treatment with CGJ resulted in a significant improvement in pSm values of FMD (P = 0.02) and PWV (P = 0.04). At baseline, smoking decreased FMD in both the CGJ group (P < 0.001) and the placebo group (P < 0.001). Compared with placebo, CGJ treatment prevented the acute smoking-induced decrease in FMD on day 7 (P = 0.02) and day 14 (P < 0.001). Moreover, at baseline, smoking induced a significant elevation in PWV in both the CGJ group (P = 0.02) and the placebo group (P = 0.04). Treatment with CGJ prevented the smoking-induced elevation in PWV on day 7 (P = 0.003) and day 14 (P < 0.001). CGJ consumption improved endothelial function and vascular elastic properties of the arterial tree in healthy smokers and attenuated acute smoking-induced impairment of arterial wall properties.

Microstructure characterization of multi-phase composites and utilization of phase change materials and recycled rubbers in cementitious materials

NASA Astrophysics Data System (ADS)

Meshgin, Pania

2011-12-01

This research focuses on two important subjects: (1) Characterization of heterogeneous microstructure of multi-phase composites and the effect of microstructural features on effective properties of the material. (2) Utilizations of phase change materials and recycled rubber particles from waste tires to improve thermal properties of insulation materials used in building envelopes. Spatial pattern of multi-phase and multidimensional internal structures of most composite materials are highly random. Quantitative description of the spatial distribution should be developed based on proper statistical models, which characterize the morphological features. For a composite material with multi-phases, the volume fraction of the phases as well as the morphological parameters of the phases have very strong influences on the effective property of the composite. These morphological parameters depend on the microstructure of each phase. This study intends to include the effect of higher order morphological details of the microstructure in the composite models. The higher order statistics, called two-point correlation functions characterize various behaviors of the composite at any two points in a stochastic field. Specifically, correlation functions of mosaic patterns are used in the study for characterizing transport properties of composite materials. One of the most effective methods to improve energy efficiency of buildings is to enhance thermal properties of insulation materials. The idea of using phase change materials and recycled rubber particles such as scrap tires in insulation materials for building envelopes has been studied.

Power ultrasound in meat processing.

PubMed

Alarcon-Rojo, A D; Janacua, H; Rodriguez, J C; Paniwnyk, L; Mason, T J

2015-09-01

Ultrasound has a wide range of applications in various agricultural sectors. In food processing, it is considered to be an emerging technology with the potential to speed up processes without damaging the quality of foodstuffs. Here we review the reports on the applications of ultrasound specifically with a view to its use in meat processing. Emphasis is placed on the effects on quality and technological properties such as texture, water retention, colour, curing, marinating, cooking yield, freezing, thawing and microbial inhibition. After the literature review it is concluded that ultrasound is a useful tool for the meat industry as it helps in tenderisation, accelerates maturation and mass transfer, reduces cooking energy, increases shelf life of meat without affecting other quality properties, improves functional properties of emulsified products, eases mould cleaning and improves the sterilisation of equipment surfaces. Copyright © 2015 Elsevier Ltd. All rights reserved.

Marine Carotenoids: Biological Functions and Commercial Applications

PubMed Central

Vílchez, Carlos; Forján, Eduardo; Cuaresma, María; Bédmar, Francisco; Garbayo, Inés; Vega, José M.

2011-01-01

Carotenoids are the most common pigments in nature and are synthesized by all photosynthetic organisms and fungi. Carotenoids are considered key molecules for life. Light capture, photosynthesis photoprotection, excess light dissipation and quenching of singlet oxygen are among key biological functions of carotenoids relevant for life on earth. Biological properties of carotenoids allow for a wide range of commercial applications. Indeed, recent interest in the carotenoids has been mainly for their nutraceutical properties. A large number of scientific studies have confirmed the benefits of carotenoids to health and their use for this purpose is growing rapidly. In addition, carotenoids have traditionally been used in food and animal feed for their color properties. Carotenoids are also known to improve consumer perception of quality; an example is the addition of carotenoids to fish feed to impart color to farmed salmon. PMID:21556162

Improved explosive collection and detection with rationally assembled surface sampling materials

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

Chouyyok, Wilaiwan; Bays, J. Timothy; Gerasimenko, Aleksandr A.

Sampling and detection of trace explosives is a key analytical process in modern transportation safety. In this work we have explored some of the fundamental analytical processes for collection and detection of trace level explosive on surfaces with the most widely utilized system, thermal desorption IMS. The performance of the standard muslin swipe material was compared with chemically modified fiberglass cloth. The fiberglass surface was modified to include phenyl functional groups. When compared to standard muslin, the phenyl functionalized fiberglass sampling material showed better analyte release from the sampling material as well as improved response and repeatability from multiple usesmore » of the same swipe. The improved sample release of the functionalized fiberglass swipes resulted in a significant increase in sensitivity. Various physical and chemical properties were systematically explored to determine optimal performance. The results herein have relevance to improving the detection of other explosive compounds and potentially to a wide range of other chemical sampling and field detection challenges.« less

Functional and antioxidative properties of protein hydrolysates from Cape hake by-products prepared by three different methodologies.

PubMed

Pires, Carla; Clemente, Teresa; Batista, Irineu

2013-03-15

The production of fish protein hydrolysates (FPH) is a convenient technology for upgrading fish by-products. The aim of this work was to study three different methods of FPH preparation from Cape hake by-products to improve yield and quality. Functional and antioxidative properties of all FPHs were determined. The protein content of hake FPH was in the range 807-860 g kg(-1) and the degree of hydrolysis was between 19% and 22%. The maximum yield (71.9%) was achieved by methodology B but the hydrolysate was darker. The peptide profile of all FPHs was very similar. FPH prepared by methodology C had significantly higher emulsifying activity index and hydrolysate prepared by methodology B had the highest foaming capacity. The solubility of FPH was in the range 71-76% and increased the water-holding capacity of minced fish by about 9%. The fractionation of FPH obtained by methodologies A and B allowed concentrating peptides with higher radical scavenging activity and reducing power. The properties of the FPH prepared indicated that they can be used in food systems as natural additives, particularly to improve their water-holding capacity. © 2012 Society of Chemical Industry.

Particle Engineering of Excipients for Direct Compression: Understanding the Role of Material Properties.

PubMed

Mangal, Sharad; Meiser, Felix; Morton, David; Larson, Ian

2015-01-01

Tablets represent the preferred and most commonly dispensed pharmaceutical dosage form for administering active pharmaceutical ingredients (APIs). Minimizing the cost of goods and improving manufacturing output efficiency has motivated companies to use direct compression as a preferred method of tablet manufacturing. Excipients dictate the success of direct compression, notably by optimizing powder formulation compactability and flow, thus there has been a surge in creating excipients specifically designed to meet these needs for direct compression. Greater scientific understanding of tablet manufacturing coupled with effective application of the principles of material science and particle engineering has resulted in a number of improved direct compression excipients. Despite this, significant practical disadvantages of direct compression remain relative to granulation, and this is partly due to the limitations of direct compression excipients. For instance, in formulating high-dose APIs, a much higher level of excipient is required relative to wet or dry granulation and so tablets are much bigger. Creating excipients to enable direct compression of high-dose APIs requires the knowledge of the relationship between fundamental material properties and excipient functionalities. In this paper, we review the current understanding of the relationship between fundamental material properties and excipient functionality for direct compression.

Enhanced nutrient transport improves the depth-dependent properties of tri-layered engineered cartilage constructs with zonal co-culture of chondrocytes and MSCs.

PubMed

Kim, Minwook; Farrell, Megan J; Steinberg, David R; Burdick, Jason A; Mauck, Robert L

2017-08-01

Biomimetic design in cartilage tissue engineering is a challenge given the complexity of the native tissue. While numerous studies have generated constructs with near-native bulk properties, recapitulating the depth-dependent features of native tissue remains a challenge. Furthermore, limitations in nutrient transport and matrix accumulation in engineered constructs hinders maturation within the central core of large constructs. To overcome these limitations, we fabricated tri-layered constructs that recapitulate the depth-dependent cellular organization and functional properties of native tissue using zonally derived chondrocytes co-cultured with MSCs. We also introduced porous hollow fibers (HFs) and HFs/cotton threads to enhance nutrient transport. Our results showed that tri-layered constructs with depth-dependent organization and properties could be fabricated. The addition of HFs or HFs/threads improved matrix accumulation in the central core region. With HF/threads, the local modulus in the deep region of tri-layered constructs nearly matched that of native tissue, though the properties in the central regions remained lower. These constructs reproduced the zonal organization and depth-dependent properties of native tissue, and demonstrate that a layer-by-layer fabrication scheme holds promise for the biomimetic repair of focal cartilage defects. Articular cartilage is a highly organized tissue driven by zonal heterogeneity of cells, extracellular matrix proteins and fibril orientations, resulting in depth-dependent mechanical properties. Therefore, the recapitulation of the functional properties of native cartilage in a tissue engineered construct requires such a biomimetic design of the morphological organization, and this has remained a challenge in cartilage tissue engineering. This study demonstrates that a layer-by-layer fabrication scheme, including co-cultures of zone-specific articular CHs and MSCs, can reproduce the depth-dependent characteristics and mechanical properties of native cartilage while minimizing the need for large numbers of chondrocytes. In addition, introduction of a porous hollow fiber (combined with a cotton thread) enhanced nutrient transport and depth-dependent properties of the tri-layered construct. Such a tri-layered construct may provide critical advantages for focal cartilage repair. These constructs hold promise for restoring native tissue structure and function, and may be beneficial in terms of zone-to-zone integration with adjacent host tissue and providing more appropriate strain transfer after implantation. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Concord Grape Juice Supplementation Improves Memory Function In Older Adults with Mild Cognitive Impairment

USDA-ARS?s Scientific Manuscript database

Concord grape juice contains flavonoid polyphenol compounds, which have antioxidant and anti-inflammatory properties and influence neuronal signaling. Concord grape juice supplementation has been shown to reduce inflammation, blood pressure, and vascular pathology in individuals with cardiovascular...

Mechanism of Cerebralcare Granule® for Improving Cognitive Function in Resting-State Brain Functional Networks of Sub-healthy Subjects.

PubMed

Li, Jing; Guo, Hao; Ge, Ling; Cheng, Long; Wang, Junjie; Li, Hong; Zhang, Kerang; Xiang, Jie; Chen, Junjie; Zhang, Hui; Xu, Yong

2017-01-01

Cerebralcare Granule® (CG), a Chinese herbal medicine, has been used to ameliorate cognitive impairment induced by ischemia or mental disorders. The ability of CG to improve health status and cognitive function has drawn researchers' attention, but the relevant brain circuits that underlie the ameliorative effects of CG remain unclear. The present study aimed to explore the underlying neurobiological mechanisms of CG in ameliorating cognitive function in sub-healthy subjects using resting-state functional magnetic resonance imaging (fMRI). Thirty sub-healthy participants were instructed to take one 2.5-g package of CG three times a day for 3 months. Clinical cognitive functions were assessed with the Chinese Revised Wechsler Adult Intelligence Scale (WAIS-RC) and Wechsler Memory Scale (WMS), and fMRI scans were performed at baseline and the end of intervention. Functional brain network data were analyzed by conventional network metrics (CNM) and frequent subgraph mining (FSM). Then 21 other sub-healthy participants were enrolled as a blank control group of cognitive functional. We found that administrating CG can improve the full scale of intelligence quotient (FIQ) and Memory Quotient (MQ) scores. At the same time, following CG treatment, in CG group, the topological properties of functional brain networks were altered in various frontal, temporal, occipital cortex regions, and several subcortical brain regions, including essential components of the executive attention network, the salience network, and the sensory-motor network. The nodes involved in the FSM results were largely consistent with the CNM findings, and the changes in nodal metrics correlated with improved cognitive function. These findings indicate that CG can improve sub-healthy subjects' cognitive function through altering brain functional networks. These results provide a foundation for future studies of the potential physiological mechanism of CG.

Short-term cascaded hydroelectric system scheduling based on chaotic particle swarm optimization using improved logistic map

NASA Astrophysics Data System (ADS)

He, Yaoyao; Yang, Shanlin; Xu, Qifa

2013-07-01

In order to solve the model of short-term cascaded hydroelectric system scheduling, a novel chaotic particle swarm optimization (CPSO) algorithm using improved logistic map is introduced, which uses the water discharge as the decision variables combined with the death penalty function. According to the principle of maximum power generation, the proposed approach makes use of the ergodicity, symmetry and stochastic property of improved logistic chaotic map for enhancing the performance of particle swarm optimization (PSO) algorithm. The new hybrid method has been examined and tested on two test functions and a practical cascaded hydroelectric system. The experimental results show that the effectiveness and robustness of the proposed CPSO algorithm in comparison with other traditional algorithms.

Maillard-Reaction-Functionalized Egg Ovalbumin Stabilizes Oil Nanoemulsions.

PubMed

Liu, Gang; Yuan, Dan; Wang, Qi; Li, Wanrong; Cai, Jie; Li, Shuyi; Lamikanra, Olusola; Qin, Xinguang

2018-04-25

Egg white proteins are an excellent source of nutrition, with high biological and technological values. However, their limited functional properties prevent their widespread industrial applications. In this study, the ovalbumin functionality was improved via glycation by Maillard reaction with d-lactose. The free amino groups and sodium dodecyl sulfate-polyacrylamide gel electrophoresis profile were determined, confirming that glycation occurred between ovalbumin and lactose. The emulsification of the conjugate was 2.69-fold higher than that of ovalbumin at pH 7.0 after glycation. The thermal stability also improved remarkably. The glycated protein products were used to form an oil-water nanoemulsion for polymethoxyflavone-rich aged orange peel oil. The resulting nanoemulsion showed good pH, thermal, and storage stabilities.

Strategies to Improve Regeneration of the Soft Palate Muscles After Cleft Palate Repair

PubMed Central

Carvajal Monroy, Paola L.; Grefte, Sander; Kuijpers-Jagtman, Anne Marie; Wagener, Frank A.D.T.G.

2012-01-01

Children with a cleft in the soft palate have difficulties with speech, swallowing, and sucking. These patients are unable to separate the nasal from the oral cavity leading to air loss during speech. Although surgical repair ameliorates soft palate function by joining the clefted muscles of the soft palate, optimal function is often not achieved. The regeneration of muscles in the soft palate after surgery is hampered because of (1) their low intrinsic regenerative capacity, (2) the muscle properties related to clefting, and (3) the development of fibrosis. Adjuvant strategies based on tissue engineering may improve the outcome after surgery by approaching these specific issues. Therefore, this review will discuss myogenesis in the noncleft and cleft palate, the characteristics of soft palate muscles, and the process of muscle regeneration. Finally, novel therapeutic strategies based on tissue engineering to improve soft palate function after surgical repair are presented. PMID:22697475

Strategies to improve regeneration of the soft palate muscles after cleft palate repair.

PubMed

Carvajal Monroy, Paola L; Grefte, Sander; Kuijpers-Jagtman, Anne Marie; Wagener, Frank A D T G; Von den Hoff, Johannes W

2012-12-01

Children with a cleft in the soft palate have difficulties with speech, swallowing, and sucking. These patients are unable to separate the nasal from the oral cavity leading to air loss during speech. Although surgical repair ameliorates soft palate function by joining the clefted muscles of the soft palate, optimal function is often not achieved. The regeneration of muscles in the soft palate after surgery is hampered because of (1) their low intrinsic regenerative capacity, (2) the muscle properties related to clefting, and (3) the development of fibrosis. Adjuvant strategies based on tissue engineering may improve the outcome after surgery by approaching these specific issues. Therefore, this review will discuss myogenesis in the noncleft and cleft palate, the characteristics of soft palate muscles, and the process of muscle regeneration. Finally, novel therapeutic strategies based on tissue engineering to improve soft palate function after surgical repair are presented.

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

PubMed

Yang, Chunpeng; Gao, Xinyu; Gong, Rui

2017-01-01

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

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

PubMed Central

Yang, Chunpeng; Gao, Xinyu; Gong, Rui

2018-01-01

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

Changes of Properties of Bitumen Binders by Additives Application

NASA Astrophysics Data System (ADS)

Remišová, Eva; Holý, Michal

2017-10-01

Requirements for properties of bituminous binders are determined in the European standards. The physico-chemical behaviour of bitumen depends on its colloidal structure (asphaltenes dispersed into an oily matrix constituted by saturates, aromatics and resins) that depends primarily on its crude source and processing. Bitumen properties are evaluated by group composition, elementary analysis, but more often conventional or functional tests. Bitumen for road uses is assessed according to the physical characteristics. For the purpose of improving the qualitative properties of bitumen and asphalts the additives are applied e.g. to increase elasticity, improving the heat stability, improving adhesion to aggregate, to decrease viscosity, increasing the resistance to aging, to prevent binder drainage from the aggregate surface, etc. The objective of presented paper is to assess and compare effect of additives on properties of bitumen binders. In paper, the results of bitumen properties, penetration, softening point, and dynamic viscosity of two paving grade bitumen 35/50, 50/70 and polymer modified bitumen PmB 45/80-75 are analyzed and also the changes of these properties by the application of selected additives (Sasobit, Licomont BS100, Wetfix BE and CWM) to improve adhesion to aggregate and improve workability. Measurements of properties have been performed according to the relevant European standards. The laboratory tests showed significantly increasing the softening point of paving grade bitumen 50/70 and 35/50 by 13 to 45°C. The effect of various additives on bitumen softening point is different. Penetration varies according to type of bitumen and type of used additive. The penetration values of modified bitumen PmB 45/80-75 with additives Sasobit and Licomont BS100 show increase of bitumen stiffness of 16 0.1mm and a shift in the gradation. The changes in penetration and in softening point significantly shown when calculating on Penetration index as a parameter of temperature susceptibility. The additives changed the viscosity of bitumen to lower values mostly with modified bitumen. In case of the additive Wetfix BE mix in 35/50caused the viscosity increase. The additive changes the properties of original bituminous binders, and that can affect the properties of asphalt mixtures and asphalt layers.

Regulation of Isotopic Composition of Water - way of Improvement of Cosmonauts Drinking Water Functional Properties

NASA Astrophysics Data System (ADS)

Kulikova, Ekaterina; Utina, Dina; Vorozhtsova, Svetlana; Severyuhin, Yuri; Abrosimova, Anna; Sinyak, Yuri; Ivanov, Alexander

The problem in providing drinking water to cosmonauts is solved - at this moment there is a task to improve the functional properties of the water. One of the perspectives of this trend is the use of light isotopic water. The animal studies have shown that long-term consumption of water with a depletion of deuterium and oxygen heavy isotopes accelerates the rise of mass non-irradiated mice, the phase fluctuations reducing or increasing hematological parameters were having adaptive nature. These fluctuations didn’t overcome values beyond the physiological norm of this type of animal. It is established that the therapeutic use of light isotopic water with 35 - 90 ppm in deuterium increases the survival of irradiated mice by an average of 30%, contributes to the preservation of irradiated animals body weight. Treatment of acute radiation sickness with light isotopic water stimulates hematopoietic recovery. At the same time, keeping mice drinking light isotopic water for 7 - 8 days before the irradiation (from 4 to 8.5 Gr) has no effect on the level of radio resistance. Longer keeping mice on light isotopic water, for 14 -21 days - reduction in life expectancy, animal mass, bone marrow cellularity and the level of white blood cells in irradiated animals is noted. It was established that keeping mice on light isotopic water for 14 days before exposure in experimental animals causes an increase in the mitotic index and the frequency of formation of aberrant mitosis after 24 hours of Co(60) gamma radiation in doses of 1 , 2, and 4 Gr. Thus, it is clear that the regulation of the isotopic composition of drinking water - way to improve its functional properties.

Development and assessment of healthy properties of meat and meat products designed as functional foods.

PubMed

Olmedilla-Alonso, Begoña; Jiménez-Colmenero, Francisco; Sánchez-Muniz, Francisco J

2013-12-01

This review deals with the two major aspects to be considered in the context of meat-based functional foods and human health. One involves the different strategies used to improve (increase or reduce) the presence of bioactive (healthy and unhealthy) compounds in meat and meat products in order to develop potential meat-based functional foods; these strategies are basically concerned with animal production practices, meat processing and storage, distribution and consumption conditions. Since the link between the consumption of those foods and their potentially beneficial effects (improving health and/or reducing the risk of several chronic diseases) needs to be demonstrated scientifically, the second aspect considered is related to intervention studies to examine the functional capacity of meat-based potentially functional foods in humans, discussing how the functionality of a food can be assessed in terms of its effects on health in relation to both target body functions and risk factors. Copyright © 2013 Elsevier Ltd. All rights reserved.

Interface Bond Improvement of Sisal Fibre Reinforced Polylactide Composites with Added Epoxy Oligomer

PubMed Central

Hao, Mingyang; Qiu, Feng; Wang, Xiwen

2018-01-01

To improve the interfacial bonding of sisal fiber-reinforced polylactide biocomposites, polylactide (PLA) and sisal fibers (SF) were melt-blended to fabricate bio-based composites via in situ reactive interfacial compatibilization with addition of a commercial grade epoxy-functionalized oligomer Joncryl ADR@-4368 (ADR). The FTIR (Fourier Transform infrared spectroscopy) analysis and SEM (scanning electron microscope) characterization demonstrated that the PLA molecular chain was bonded to the fiber surface and the epoxy-functionalized oligomer played a hinge-like role between the sisal fibers and the PLA matrix, which resulted in improved interfacial adhesion between the fibers and the PLA matrix. The interfacial reaction and microstructures of composites were further investigated by thermal and rheological analyses, which indicated that the mobility of the PLA molecular chain in composites was restricted because of the introduction of the ADR oligomer, which in turn reflected the improved interfacial interaction between SF and the PLA matrix. These results were further justified with the calculation of activation energies of glass transition relaxation (∆Ea) by dynamic mechanical analysis. The mechanical properties of PLA/SF composites were simultaneously reinforced and toughened with the addition of ADR oligomer. The interfacial interaction and structure–properties relationship of the composites are the key points of this study. PMID:29518949

Interface Bond Improvement of Sisal Fibre Reinforced Polylactide Composites with Added Epoxy Oligomer.

PubMed

Hao, Mingyang; Wu, Hongwu; Qiu, Feng; Wang, Xiwen

2018-03-07

To improve the interfacial bonding of sisal fiber-reinforced polylactide biocomposites, polylactide (PLA) and sisal fibers (SF) were melt-blended to fabricate bio-based composites via in situ reactive interfacial compatibilization with addition of a commercial grade epoxy-functionalized oligomer Joncryl ADR @ -4368 (ADR). The FTIR (Fourier Transform infrared spectroscopy) analysis and SEM (scanning electron microscope) characterization demonstrated that the PLA molecular chain was bonded to the fiber surface and the epoxy-functionalized oligomer played a hinge-like role between the sisal fibers and the PLA matrix, which resulted in improved interfacial adhesion between the fibers and the PLA matrix. The interfacial reaction and microstructures of composites were further investigated by thermal and rheological analyses, which indicated that the mobility of the PLA molecular chain in composites was restricted because of the introduction of the ADR oligomer, which in turn reflected the improved interfacial interaction between SF and the PLA matrix. These results were further justified with the calculation of activation energies of glass transition relaxation (∆ E a ) by dynamic mechanical analysis. The mechanical properties of PLA/SF composites were simultaneously reinforced and toughened with the addition of ADR oligomer. The interfacial interaction and structure-properties relationship of the composites are the key points of this study.

Studies on the development of functional powder from citrus peel.

PubMed

Kang, H J; Chawla, S P; Jo, C; Kwon, J H; Byun, M W

2006-03-01

The suitability of citrus peels, generated as a by-product of the juice industry, as a source of antioxidants was investigated. Citrus peel powder was prepared by lyophilizing 70% ethanol extract from citrus peels. Extraction was carried out at room temperature (20 degrees C) for 72 h. The extract was subjected to gamma-irradiation treatment (20 kGy). The aqueous solutions of citrus peel powder were examined for color characteristics and antioxidant potential in terms of 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging, beta-carotene bleaching and nitrite scavenging activities. There were significant changes in Hunter color values due to irradiation. The a*- and b*-values decreased due to radiation treatment. DPPH radical scavenging, beta-carotene bleaching and nitrite scavenging activities were not affected by irradiation treatment. Nitrite scavenging activity was the highest in the extract at pH 1.2 followed by pH 4.2 and 6.0. These functional properties of the aqueous solution were found to be stable in heat treatment. It could significantly improve oxidative stability of lipids in fish meat system. Based on these results there may be opportunities to use citrus peel powder as a functional component in the food processing industry with gamma irradiation treatment improving its color characteristics without adversely influencing the functional properties.

The development of anti-heat stress clothing for construction workers in hot and humid weather.

PubMed

Chan, Albert P C; Guo, Y P; Wong, Francis K W; Li, Y; Sun, S; Han, X

2016-04-01

The purpose of this study was to develop anti-heat stress clothing for construction workers in hot and humid weather. Following DeJonge's functional clothing design process, the design situation was explored, including clothing fabric heat/moisture transporting properties and UV protection and the aspects of clothing ergonomic design (mobility, convenience, and safety). The problem structure was derived from the results of the surveys in three local construction sites, which agreed well with the task requirements and observations. Specifications were consequently described and 30 commercially available fabrics were identified and tested. Fabric testing data and design considerations were inputted in S-smart system to predict the thermal functional performance of the clothing. A new uniform prototype was developed and evaluated. The results of all measurements suggest that the new uniform which incorporated fabrics with superior heat/moisture transporting properties and loose-fitting design could reduce the workers' heat stress and improve their comfort and work performance. Practitioner Summary: The construction workers' uniform currently used in Hong Kong during summer was unsatisfactory. Following DeJonge's functional clothing design process, an anti-heat stress uniform was developed by testing 30 fabrics and predicting clothing thermal functional performance using S-smart system. The new uniform could reduce the workers' heat stress and improve their comfort and work performance.

Surface functionalization of two-dimensional metal chalcogenides by Lewis acid-base chemistry

NASA Astrophysics Data System (ADS)

Lei, Sidong; Wang, Xifan; Li, Bo; Kang, Jiahao; He, Yongmin; George, Antony; Ge, Liehui; Gong, Yongji; Dong, Pei; Jin, Zehua; Brunetto, Gustavo; Chen, Weibing; Lin, Zuan-Tao; Baines, Robert; Galvão, Douglas S.; Lou, Jun; Barrera, Enrique; Banerjee, Kaustav; Vajtai, Robert; Ajayan, Pulickel

2016-05-01

Precise control of the electronic surface states of two-dimensional (2D) materials could improve their versatility and widen their applicability in electronics and sensing. To this end, chemical surface functionalization has been used to adjust the electronic properties of 2D materials. So far, however, chemical functionalization has relied on lattice defects and physisorption methods that inevitably modify the topological characteristics of the atomic layers. Here we make use of the lone pair electrons found in most of 2D metal chalcogenides and report a functionalization method via a Lewis acid-base reaction that does not alter the host structure. Atomic layers of n-type InSe react with Ti4+ to form planar p-type [Ti4+n(InSe)] coordination complexes. Using this strategy, we fabricate planar p-n junctions on 2D InSe with improved rectification and photovoltaic properties, without requiring heterostructure growth procedures or device fabrication processes. We also show that this functionalization approach works with other Lewis acids (such as B3+, Al3+ and Sn4+) and can be applied to other 2D materials (for example MoS2, MoSe2). Finally, we show that it is possible to use Lewis acid-base chemistry as a bridge to connect molecules to 2D atomic layers and fabricate a proof-of-principle dye-sensitized photosensing device.

Synthesis, characterization, and nonlinear optical properties of graphene oxide functionalized with tetra-amino porphyrin

NASA Astrophysics Data System (ADS)

Yamuna, R.; Ramakrishnan, S.; Dhara, Keerthy; Devi, R.; Kothurkar, Nikhil K.; Kirubha, E.; Palanisamy, P. K.

2013-01-01

The synthesis of a porphyrin-graphene oxide hybrid (GO-TAP) was carried out by covalently functionalizing graphene oxide (GO) with 5,10,15,20 mesotetra (4-aminophenyl) porphyrin (TAP) through an amide linkage. The GO-TAP hybrid has been characterized by Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and UV-visible spectroscopy. The peak intensity of the Soret band of the material was suppressed compared to neat TAP. This indicates a strong interaction between the electronic energy level of TAP and GO in the GO-TAP hybrid. The functionalization of GO with TAP significantly improved its solubility and dispersion stability in organic solvents. Scanning electron micrographs reveal that the hybrid was found to be similar to the unmodified GO but slightly more wrinkled. Transmission electron micrographs also demonstrate that GO sheet in the hybrid is more wrinkled with some dark spot due to functionalization. Atomic force microscopy results also reveal that the TAP functionalization increases the thickness of GO sheet to 2.0-3.0 nm from 1.2 to 1.8 nm. We observed improved nonlinear optical and optical limiting properties for the hybrid compared to both graphene oxide and porphyrin. GO-TAP shows fluorescence quenching compared with porphyrin, indicating excellent electron and/or energy transfer to GO from TAP. Thermogravimetric analysis confirms that the GO-TAP hybrid has outstanding thermal stability.

Tuning surface properties of amino-functionalized silica for metal nanoparticle loading: The vital role of an annealing process

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

Pei, Yuchen; Xiao, Chaoxian; Goh, Tian -Wei

2015-10-20

Metal nanoparticles (NPs) loaded on oxides have been widely used as multifunctional nanomaterials in various fields such as optical imaging, sensors, and heterogeneous catalysis. However, the deposition of metal NPs on oxide supports with high efficiency and homogeneous dispersion still remains elusive, especially when silica is used as the support. Amino-functionalization of silica can improve loading efficiency, but metal NPs often aggregate on the surface. Herein, we report that a facial annealing of amino-functionalized silica can significantly improve the dispersion and enhance the loading efficiency of various metal NPs, such as Pt, Rh, and Ru, on the silica surface. Amore » series of characterization techniques, such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), Zeta potential analysis, UV–Vis spectroscopy, thermogravimetric analysis coupled with infrared analysis (TGA–IR), and nitrogen physisorption, were employed to study the changes of surface properties of the amino-functionalized silica before and after annealing. We found that the annealed amino-functionalized silica surface has more cross-linked silanol groups and relatively lesser amount of amino groups, and less positively charges, which could be the key to the uniform deposition of metal NPs during the loading process. Lastly, these results could contribute to the preparation of metal/oxide hybrid NPs for the applications that require uniform dispersion.« less

Intestinal anti-inflammatory effects of RGD-functionalized silk fibroin nanoparticles in trinitrobenzenesulfonic acid-induced experimental colitis in rats

PubMed Central

Rodriguez-Nogales, Alba; Algieri, Francesca; De Matteis, Laura; Lozano-Perez, A. Abel; Garrido-Mesa, Jose; Vezza, Teresa; de la Fuente, J M.; Cenis, Jose Luis; Gálvez, Julio; Rodriguez-Cabezas, Maria Elena

2016-01-01

Background Current treatment of inflammatory bowel disease is based on the use of immunosuppressants or anti-inflammatory drugs, which are characterized by important side effects that can limit their use. Previous research has been performed by administering these drugs as nanoparticles that target the ulcerated intestinal regions and increase their bioavailability. It has been reported that silk fibroin can act as a drug carrier and shows anti-inflammatory properties. Purpose This study was designed to enhance the interaction of the silk fibroin nanoparticles (SFNs) with the injured intestinal tissue by functionalizing them with the peptide motif RGD (arginine–glycine–aspartic acid) and to evaluate the intestinal anti-inflammatory properties of these RGD-functionalized silk fibroin nanoparticles (RGD-SFNs) in the trinitrobenzenesulfonic acid (TNBS) model of rat colitis. Materials and methods SFNs were prepared by nanoprecipitation in methanol, and the linear RGD peptide was linked to SFNs using glutaraldehyde as the crosslinker. The SFNs (1 mg/rat) and RGD-SFNs (1 mg/rat) were administered intrarectally to TNBS-induced colitic rats for 7 days. Results The SFN treatments ameliorated the colonic damage, reduced neutrophil infiltration, and improved the compromised oxidative status of the colon. However, only the rats treated with RGD-SFNs showed a significant reduction in the expression of different pro-inflammatory cytokines (interleukin [IL]-1β, IL-6, and IL-12) and inducible nitric oxide synthase in comparison with the TNBS control group. Moreover, the expression of both cytokine-induced neutrophil chemoattractant-1 and monocyte chemotactic protein-1 was significantly diminished by the RGD-SFN treatment. However, both treatments improved the intestinal wall integrity by increasing the gene expression of some of its markers (trefoil factor-3 and mucins). Conclusion SFNs displayed intestinal anti-inflammatory properties in the TNBS model of colitis in rats, which were improved by functionalization with the RGD peptide. PMID:27877040

Functionalizing CNTs for Making Epoxy/CNT Composites

NASA Technical Reports Server (NTRS)

Chen, Jian; Rajagopal, Ramasubramaniam

2009-01-01

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

Combining phytoextraction and biochar addition improves soil biochemical properties in a soil contaminated with Cd.

PubMed

Lu, Huanping; Li, Zhian; Fu, Shenglei; Méndez, Ana; Gascó, Gabriel; Paz-Ferreiro, Jorge

2015-01-01

The main goal of phytoremediation is to improve ecosystem functioning. Soil biochemical properties are considered as effective indicators of soil quality and are sensitive to various environmental stresses, including heavy metal contamination. The biochemical response in a soil contaminated with cadmium was tested after several treatments aimed to reduce heavy metal availability including liming, biochar addition and phytoextraction using Amaranthus tricolor L. Two biochars were added to the soil: eucalyptus pyrolysed at 600 °C (EB) and poultry litter at 400 °C (PLB). Two liming treatments were chosen with the aim of bringing soil pH to the same values as in the treatments EB and PLB. The properties studied included soil microbial biomass C, soil respiration and the activities of invertase, β-glucosidase, β-glucosaminidase, urease and phosphomonoesterase. Both phytoremediation and biochar addition improved soil biochemical properties, although results were enzyme specific. For biochar addition these changes were partly, but not exclusively, mediated by alterations in soil pH. A careful choice of biochar must be undertaken to optimize the remediation process from the point of view of metal phytoextraction and soil biological activity. Copyright © 2014 Elsevier Ltd. All rights reserved.

Some like it hot, some like it cold: Temperature dependent biotechnological applications and improvements in extremophilic enzymes.

PubMed

Siddiqui, Khawar Sohail

2015-12-01

The full biotechnological exploitation of enzymes is still hampered by their low activity, low stability and high cost. Temperature-dependent catalytic properties of enzymes are a key to efficient and cost-effective translation to commercial applications. Organisms adapted to temperature extremes are a rich source of enzymes with broad ranging thermal properties which, if isolated, characterized and their structure-function-stability relationship elucidated, could underpin a variety of technologies. Enzymes from thermally-adapted organisms such as psychrophiles (low-temperature) and thermophiles (high-temperature) are a vast natural resource that is already under scrutiny for their biotechnological potential. However, psychrophilic and thermophilic enzymes show an activity-stability trade-off that necessitates the use of various genetic and chemical modifications to further improve their properties to suit various industrial applications. This review describes in detail the properties and biotechnological applications of both cold-adapted and thermophilic enzymes. Furthermore, the review critically examines ways to improve their value for biotechnology, concluding by proposing an integrated approach involving thermally-adapted, genetically and magnetically modified enzymes to make biocatalysis more efficient and cost-effective. Copyright © 2015 Elsevier Inc. All rights reserved.

Review of a viral peptide nanosystem for intracellular delivery

NASA Astrophysics Data System (ADS)

Falanga, Annarita; Tarallo, Rossella; Galdiero, Emilia; Cantisani, Marco; Galdiero, Massimiliano; Galdiero, Stefania

2013-01-01

The internalization of bioactive molecules is one of the most critical problems to overcome in theranostics. In order to improve pharmacokinetic and pharmacodynamic properties, synthetic transporters are widely investigated. A new nanotechnological transporter, gH625, is based on a viral peptide sequence derived from the herpes simplex virus type 1 glycoprotein H (gH) that has proved to be a useful delivery vehicle, due to its intrinsic properties of inducing membrane perturbation. The peptide functionalization with several kinds of nanoparticles like quantum dots, dendrimers, and liposomes could be of particular interest in biomedical applications to improve drug release within cells, to increase site-specific action, and eventually to reduce related cytotoxicity.

Thermoplastic composite matrices with improved solvent resistance

NASA Technical Reports Server (NTRS)

Hergenrother, P. M.; Jensen, B. J.; Havens, S. J.

1984-01-01

In order to improve solvent resistance of aromatic thermoplastic polymers, ethynyl-terminated aromatic sulfone polymers (ETS), sulfone/ester polymers (SEPE) containing pendent ethynyl groups, and phenoxy resin containing pendent ethynyl groups are synthesized. Cured polysulfones and phenoxy resins containing ethynyl groups on the ends or pendent on the molecules exhibited systematic behavior in solvent resistance, film flexibility, and toughness as a function of crosslink density. The film and composite properties of a cured solvent-resistant ETS were better than those of a commercially available solvent sensitive polysulfone. The study was part of a NASA program to better understand the trade-offs between solvent resistance, processability and mechanical properties which may be useful in designing composite structures for aerospace vehicles.

Cellulose whiskers versus microfibrils: influence of the nature of the nanoparticle and its surface functionalization on the thermal and mechanical properties of nanocomposites.

PubMed

Siqueira, Gilberto; Bras, Julien; Dufresne, Alain

2009-02-09

In the present work, nanowhiskers and microfibrillated cellulose (MFC) both extracted from sisal were used to reinforce polycaprolactone (PCL). We report the influence of the nanoparticle's nature on the mechanical and thermal properties of the ensuing nanocomposites. The surface of both the nanoparticles was chemically modified to improve their compatibilization with the polymeric matrix. N-Octadecyl isocyanate (C18H37NCO) was used as the grafting agent. PCL nanocomposite films reinforced with sisal whiskers or MFC (raw or chemically modified) were prepared by film casting. The thermal behavior (Tg, Tm, Tc, and degree of crystallinity) and the mechanical properties of the nanocomposites in both the linear and the nonlinear range were determined using differential scanning calorimetry (DSC), dynamical mechanical analysis (DMA), and tensile tests, respectively. Significant differences were reported according to the nature of the nanoparticle and amount of nanofillers used as reinforcement. It was also proved that the chemical treatment clearly improves the ultimate properties of the nanocomposites.

Improved glucose-neopentyl glycol (GNG) amphiphiles for membrane protein solubilization and stabilization.

PubMed

Cho, Kyung Ho; Bae, Hyoung Eun; Das, Manabendra; Gellman, Samuel H; Chae, Pil Seok

2014-02-01

Membrane proteins are inherently amphipathic and undergo dynamic conformational changes for proper function within native membranes. Maintaining the functional structures of these biomacromolecules in aqueous media is necessary for structural studies but difficult to achieve with currently available tools, thus necessitating the development of novel agents with favorable properties. This study introduces several new glucose-neopentyl glycol (GNG) amphiphiles and reveals some agents that display favorable behaviors for the solubilization and stabilization of a large, multi-subunit membrane protein assembly. Furthermore, a detergent structure-property relationship that could serve as a useful guideline for the design of novel amphiphiles is discussed. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: Application to liquid para-hydrogen

PubMed Central

Rabani, Eran; Reichman, David R.; Krilov, Goran; Berne, Bruce J.

2002-01-01

We present a method based on augmenting an exact relation between a frequency-dependent diffusion constant and the imaginary time velocity autocorrelation function, combined with the maximum entropy numerical analytic continuation approach to study transport properties in quantum liquids. The method is applied to the case of liquid para-hydrogen at two thermodynamic state points: a liquid near the triple point and a high-temperature liquid. Good agreement for the self-diffusion constant and for the real-time velocity autocorrelation function is obtained in comparison to experimental measurements and other theoretical predictions. Improvement of the methodology and future applications are discussed. PMID:11830656

Electrokinetic pump

DOEpatents

Patel, Kamlesh D.

2007-11-20

A method for altering the surface properties of a particle bed. In application, the method pertains particularly to an electrokinetic pump configuration where nanoparticles are bonded to the surface of the stationary phase to alter the surface properties of the stationary phase including the surface area and/or the zeta potential and thus improve the efficiency and operating range of these pumps. By functionalizing the nanoparticles to change the zeta potential the electrokinetic pump is rendered capable of operating with working fluids having pH values that can range from 2-10 generally and acidic working fluids in particular. For applications in which the pump is intended to handle highly acidic solutions latex nanoparticles that are quaternary amine functionalized can be used.

Effect of SiO2 grafted MWCNTs on the mechanical and dielectric properties of PEN composite films

NASA Astrophysics Data System (ADS)

Jin, Fei; Feng, Mengna; Huang, Xu; Long, Cheng; Jia, Kun; Liu, Xiaobo

2015-12-01

In this study, the functional poly (arylene ether nitrile) (PEN)/multiwall carbon nanotubes (MWCNTs)/SiO2 nanocomposite with high mechanical and good electrical properties were fabricated through a simple and effective method. Specifically, the surface modification using highly ordered and porous SiO2 not only improves the dispersion of the MWCNTs in polymer matrix, but also combines the excellent properties of SiO2 and MWCNTs. Transmission electron microscopy (TEM), Fourier transform infrared spectra (FTIR), and scanning electron microscope (SEM) were employed to confirm the surface functionalization of MWCNTs. As a result, all the composite films exhibited good dielectric properties with high dielectric constant of 7 as well as low dielectric loss of 0.04. Besides, the results of mechanical tests showed that the tensile strength and modulus reached their highest values at the 2 wt% MWCNTs-SiO2 loading content (125 MPa and 2950 MPa, respectively). The rheological results showed that MWCNTs-SiO2/PEN composites have a typical solid-like viscoelastic response as frequencies changes. Therefore, all the results revealed that surface functionalization has strong influence on the dispersion state of MWCNTs in PEN matrix.

First principle investigations of the physical properties of hydrogen-rich MgH2

NASA Astrophysics Data System (ADS)

Zarshenas, Mohammed; Ahmed, R.; Benali Kanoun, Mohammed; Haq, Bakhtiar ul; Radzi Mat Isa, Ahmad; Goumri-Said, Souraya

2013-12-01

Hydrogen being a cleaner energy carrier has increased the importance of hydrogen-containing light metal hydrides, in particular those with large gravimetric hydrogen density like magnesium hydride (MgH2). In this study, density functional and density functional perturbation theories are combined to investigate the structural, elastic, thermodynamic, electronic and optical properties of MgH2. Our structural parameters calculated with those proposed by Perdew, Burke and Ernzerof generalized gradient approximation (PBE-GGA) and Wu-Cohen GGA (WC-GGA) are in agreement with experimental measurements, however the underestimated band gap values calculated using PBE-GGA and WC-GGA were greatly improved with the GGA suggested by Engle and Vosko and the modified Becke-Johnson exchange correlation potential by Trans and Blaha. As for the thermodynamic properties the specific heat values at low temperatures were found to obey the T3 rule and at higher temperatures Dulong and Petit's law. Our analysis of the optical properties of MgH2 also points to its potential application in optoelectronics.

Laser Processing of Carbon Nanotube Transparent Conducting Films

NASA Astrophysics Data System (ADS)

Mann, Andrew

Transparent conducting films, or TCFs, are 2D electrical conductors with the ability to transmit light. Because of this, they are used in many popular electronics including smart phones, tablets, solar panels, and televisions. The most common material used as a TCF is indium tin oxide, or ITO. Although ITO has great electrical and optical characteristics, it is expensive, brittle, and difficult to pattern. These limitations have led researchers toward other materials for the next generation of displays and touch panels. The most promising material for next generation TCFs is carbon nanotubes, or CNTs. CNTs are cylindrical tubes of carbon no more than a few atoms thick. They have different electrical and optical properties depending on their atomic structure, and are extremely strong. As an electrode, they conduct electricity through an array of randomly dispersed tubes. The array is highly transparent because of gaps between the tubes, and size and optical properties of the CNTs. Many research groups have tried making CNT TCFs with opto-electric properties similar to ITO but have difficultly achieving high conductivity. This is partly attributed to impurities from fabrication and a mix of different tube types, but is mainly caused by low junction conductivity. In functionalized nanotubes, junction conductivity is impaired by covalently bonded molecules added to the sidewalls of the tubes. The addition of this molecule, known as functionalization, is designed to facilitate CNT dispersion in a solvent by adding properties of the molecule to the CNTs. While necessary for a good solution, functionalization decreases the conductivity in the CNT array by creating defects in the tube's structures and preventing direct inter-carbon bonding. This research investigates removing the functional coating (after tube deposition) by laser processing. Laser light is able to preferentially heat the CNTs because of their optical and electrical properties. Through local conduction, the relatively weak functional molecules are thermally decomposed. This restores the pristine CNT structure and allows carbon to carbon bonds to form; thereby significantly improving the junction and sheet conductivity. Laser processing is performed without damaging the TCF substrate (usually glass or PET) because laser light is not absorbed by the substrate and conduction from the CNTs is limited. In addition to removing the functional coating, laser light improves the electrical conductivity by purifying the CNT array. The purity is improved through the ablation of defective tubes and amorphous carbon in the CNT film.[1] Using higher laser power, it is possible to locally remove the CNTs. Selective laser removal of the CNTs is a dry process that can be used to pattern the electrode. This is a much simpler and less expensive patterning technique than wet acid etching used for ITO. In summary, laser processing of CNT TCFs is shown to improve the electrical conductivity by defunctionalizing the CNTs. In addition, laser exposure increases purity by removing defects and can be used to pattern the electrode. These advances make CNTs more competitive as an alternative for ITO which has both cost and performance limitations. [1] T. Ueda, S. K. (2008). Effect of laser irradiation on carbon nanotube films for NOx gas sensor. Surface & Coatings Technology, 202, 5325--5328.

Versatile composite resins simplifying the practice of restorative dentistry.

PubMed

Margeas, Robert

2014-01-01

After decades of technical development and refinement, composite resins continue to simplify the practice of restorative dentistry, offering clinicians versatility, predictability, and enhanced physical properties. With a wide range of products available today, composite resins are a reliable, conservative, multi-functional restorative material option. As manufacturers strive to improve such properties as compression strength, flexural strength, elastic modulus, coefficient of thermal expansion, water sorption, and wear resistance, several classification systems of composite resins have been developed.

Nanocomposites Derived from Polymers and Inorganic Nanoparticles

PubMed Central

Jeon, In-Yup; Baek, Jong-Beom

2010-01-01

Polymers are considered to be good hosting matrices for composite materials because they can easily be tailored to yield a variety of bulk physical properties. Moreover, organic polymers generally have long-term stability and good processability. Inorganic nanoparticles possess outstanding optical, catalytic, electronic and magnetic properties, which are significantly different their bulk states. By combining the attractive functionalities of both components, nanocomposites derived from organic polymers and inorganic nanoparticles are expected to display synergistically improved properties. The potential applications of the resultant nanocomposites are various, e.g. automotive, aerospace, opto-electronics, etc. Here, we review recent progress in polymer-based inorganic nanoparticle composites.

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

Mene, Ravindra U.; School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded 431606, M.S.; Mahabole, Megha P.

Highlights: • We report improved gas sensing and dielectric characteristics of Fe ion exchanged HAp films. • Fe doped HAp film shows maximum gas response at relatively lower temperature. • Response and gas uptake capacity of sensors is improved for appropriate amount of Fe ions in HAp matrix. • Fe-HAp films exhibit remarkable improvement in dielectric properties compared to pure HAp. • Fe doped HAp films show significant improvement in gas sensing as well as in dielectric properties. - Abstract: In the present work Fe doped hydroxyapatite (Fe-HAp) thick films has been successfully utilized to improve the gas sensing asmore » well as its dielectric properties. Initially, HAp nano powder is synthesized by chemical precipitation process and later on Fe ions are doped in HAp by ion exchange process. Structural and morphological modifications are observed by means of X-ray diffraction and scanning electron microscopy analysis. The sensing parameters such as operating temperature, response/recovery time and gas uptake capacity are experimentally determined. The Fe-HAp (0.05 M) film shows improved CO and CO{sub 2} gas sensing capacity at lower operating temperature compared to pure HAp. Moreover, variation of dielectric constant and dielectric loss for pure and Fe-HAp thick films are studied as a function of frequency in the range of 10 Hz–1 MHz. The study reveals that Fe doped HAp thick films improve the sensing and dielectric characteristics as compared to pure HAp.« less

Physical and mechanical properties of PLA, and their functions in widespread applications - A comprehensive review.

PubMed

Farah, Shady; Anderson, Daniel G; Langer, Robert

2016-12-15

Poly(lactic acid) (PLA), so far, is the most extensively researched and utilized biodegradable aliphatic polyester in human history. Due to its merits, PLA is a leading biomaterial for numerous applications in medicine as well as in industry replacing conventional petrochemical-based polymers. The main purpose of this review is to elaborate the mechanical and physical properties that affect its stability, processability, degradation, PLA-other polymers immiscibility, aging and recyclability, and therefore its potential suitability to fulfill specific application requirements. This review also summarizes variations in these properties during PLA processing (i.e. thermal degradation and recyclability), biodegradation, packaging and sterilization, and aging (i.e. weathering and hygrothermal). In addition, we discuss up-to-date strategies for PLA properties improvements including components and plasticizer blending, nucleation agent addition, and PLA modifications and nanoformulations. Incorporating better understanding of the role of these properties with available improvement strategies is the key for successful utilization of PLA and its copolymers/composites/blends to maximize their fit with worldwide application needs. Copyright © 2016 Elsevier B.V. All rights reserved.

Enhanced collective influence: A paradigm to optimize network disruption

NASA Astrophysics Data System (ADS)

Wu, Tao; Chen, Leiting; Zhong, Linfeng; Xian, Xingping

2017-04-01

The function of complex networks typically relies on the integrity of underlying structure. Sometimes, practical applications need to attack networks' function, namely inactivate and fragment networks' underlying structure. To effectively dismantle complex networks and regulate the function of them, a centrality measure, named CI (Morone and Makse, 2015), was proposed for node ranking. We observe that the performance of CI centrality in network disruption problem may deteriorate when it is used in networks with different topology properties. Specifically, the structural features of local network topology are overlooked in CI centrality, even though the local network topology of the nodes with a fixed CI value may have very different organization. To improve the ranking accuracy of CI, this paper proposes a variant ECI to CI by considering loop density and degree diversity of local network topology. And the proposed ECI centrality would degenerate into CI centrality with the reduction of the loop density and the degree diversity level. By comparing ECI with CI and classical centrality measures in both synthetic and real networks, the experimental results suggest that ECI can largely improve the performance of CI for network disruption. Based on the results, we analyze the correlation between the improvement and the properties of the networks. We find that the performance of ECI is positively correlated with assortative coefficient and community modularity and negatively correlated with degree inequality of networks, which can be used as guidance for practical applications.

Effect of surface treatments on physicomechanical, stain-resist, and UV protection properties of wool fabrics

NASA Astrophysics Data System (ADS)

Hassan, Mohammad M.; Leighs, Samuel J.

2017-10-01

The surface of wool fabrics is frequently modified to make them shrink-resistant, water repellent and also to improve their handle properties. In this work, we investigated the effect of common surface modification treatments on fabric stain-resistance, hydrophilicity and UV absorption performance. The surface of wool fabrics was modified by chlorination and also by reacting the chlorinated wool fabrics with a polyamide, a fibre-reactive amino-functional siloxane and a fluorocarbon polymer. The surface of the various treated fabrics was characterised by ATR-FTIR, contact angle measurement and scanning electron microscopy. The effect of surface modification on the tensile strength, surface hydrophilicity, stain-resistance, and UV absorption capacity of the fabric was investigated. It was found that all the treatments except the treatment with the amino-functional siloxane polymer slightly improved the tensile strength of the fabric. The chlorination treatment and the treatment with the polyamide resin made the fabric hydrophilic, and fluorocarbon and silicone resin treatment made the fabric hydrophobic.

DFT studies on the ligand effect on electronic and optical properties of three series of functionalized Ir(III) complexes

NASA Astrophysics Data System (ADS)

Liu, Shujie; Li, Yangen; Hu, Xiaoying; Liu, Xiangdong; Guan, Bo

2018-01-01

With the help of DFT and TDDFT, a series of functionalized mononuclear iridium (III) complexes were systematically investigated to make clear the effect of auxiliary ligands on their electrionic and photophysical properties. It can be found that introducing electron withdrawing group (sbnd CF3) on benzene moiety can stabilize HOMO level, thus leading to wider HOMO-LUMO gap and blue shift in spectrum. More importantly, introducing sbnd CF3 on benzene moiety can also significantly improve the radiative decay rate (kr). On the other hand, the incorporation of electron donating groups (such as -Ph(CH3)3) into pyridine moiety on ligand reduce kr. The complexes 1c-3c and 1d-3d have improved charge balance ability and larger percentage of metal character. The results revealed the nature of the different substituents have a significant effect on the HOMO, LUMO energy levels and kr, resulting in the change of emission color and the quantum efficiency (Φp).

ThermoData Engine (TDE): software implementation of the dynamic data evaluation concept. 9. Extensible thermodynamic constraints for pure compounds and new model developments.

PubMed

Diky, Vladimir; Chirico, Robert D; Muzny, Chris D; Kazakov, Andrei F; Kroenlein, Kenneth; Magee, Joseph W; Abdulagatov, Ilmutdin; Frenkel, Michael

2013-12-23

ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported in this journal. The present article describes the background and implementation for new additions in latest release of TDE. Advances are in the areas of program architecture and quality improvement for automatic property evaluations, particularly for pure compounds. It is shown that selection of appropriate program architecture supports improvement of the quality of the on-demand property evaluations through application of a readily extensible collection of constraints. The basis and implementation for other enhancements to TDE are described briefly. Other enhancements include the following: (1) implementation of model-validity enforcement for specific equations that can provide unphysical results if unconstrained, (2) newly refined group-contribution parameters for estimation of enthalpies of formation for pure compounds containing carbon, hydrogen, and oxygen, (3) implementation of an enhanced group-contribution method (NIST-Modified UNIFAC) in TDE for improved estimation of phase-equilibrium properties for binary mixtures, (4) tools for mutual validation of ideal-gas properties derived through statistical calculations and those derived independently through combination of experimental thermodynamic results, (5) improvements in program reliability and function that stem directly from the recent redesign of the TRC-SOURCE Data Archival System for experimental property values, and (6) implementation of the Peng-Robinson equation of state for binary mixtures, which allows for critical evaluation of mixtures involving supercritical components. Planned future developments are summarized.

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

Zhou, Keqing; Wang, Biao; Liu, Jiajia

Highlights: • In this paper, α-FeOOH/rGO hybrids had been prepared by a facile hydrothermal method. • The addition of the α-FeOOH/rGO hybrids showed a significant effect on the thermal stability and smoke suppression properties of PS composites. • Graphene can be employed to improve the smoke suppression properties of polymer and further extended the application of graphene. - Abstract: In this work, α-FeOOH/rGO hybrids were firstly prepared by a facile hydrothermal method. X-ray diffraction and transmission electron microscopy results indicated that α-FeOOH nanoparticles were dispersed uniformly on the surface of graphene nanosheets. Subsequently, the α-FeOOH/rGO hybrids were incorporated into polystyrenemore » (PS) matrix for the improvement of the thermal stability and smoke suppression properties. It was found that the thermal stability of PS nanocomposite was obviously enhanced upon the introduction of 2.0 wt% α-FeOOH/rGO hybrids. Furthermore, the addition of α-FeOOH/rGO hybrids could improve the smoke suppression properties of PS nanocomposites, as evidenced by the dramatical reduction of carbon monoxide production rate, total smoke release and total smoke production. The total flammable gaseous products from the PS nanocomposites were decreased which further led to the inhibition of smoke. Such a significant improvement in thermal stability and smoke suppression properties was mainly attributed to the physical barrier effect of graphene nanosheets and the catalytic carbonization function of α-FeOOH nanoparticles.« less

An adiabatic linearized path integral approach for quantum time-correlation functions II: a cumulant expansion method for improving convergence.

PubMed

Causo, Maria Serena; Ciccotti, Giovanni; Bonella, Sara; Vuilleumier, Rodolphe

2006-08-17

Linearized mixed quantum-classical simulations are a promising approach for calculating time-correlation functions. At the moment, however, they suffer from some numerical problems that may compromise their efficiency and reliability in applications to realistic condensed-phase systems. In this paper, we present a method that improves upon the convergence properties of the standard algorithm for linearized calculations by implementing a cumulant expansion of the relevant averages. The effectiveness of the new approach is tested by applying it to the challenging computation of the diffusion of an excess electron in a metal-molten salt solution.

Four-Photon Imaging with Thermal Light

NASA Astrophysics Data System (ADS)

Wen, Feng; Xue, Xinxin; Zhang, Xun; Yuan, Chenzhi; Sun, Jia; Song, Jianping; Zhang, Yanpeng

2014-10-01

In a near-field four-photon correlation measurement, ghost imaging with classical incoherent light is investigated. By applying the Klyshko advanced-wave picture, we consider the properties of four-photon spatial correlation and find that the fourth-order spatial correlation function can be decomposed into multiple lower-order correlation functions. On the basis of the spatial correlation properties, a proof-of-principle four-photon ghost imaging is proposed, and the effect of each part in a fourth-order correlation function on imaging is also analyzed. In addition, the similarities and differences among ghost imaging by fourth-, second-, and third-order correlations are also discussed. It is shown that the contrast and visibility of fourth-order correlated imaging are improved significantly, while the resolution is unchanged. Such studies can be very useful in better understanding multi photon interference and multi-channel correlation imaging.

Effect of heat-setting on UV protection and antibacterial properties of cotton/spandex fabric

NASA Astrophysics Data System (ADS)

Pervez, M. N.; Talukder, M. E.; Shafiq, F.; Hasan, K. M. F.; Taher, M. A.; Meraz, M. M.; Cai, Y.; Lin, Lina

2018-01-01

An unexampled approach for simultaneous heat setting process with optimized condition at C3 (140°C, 45 s) and functional finishing, i.e. UV protection and antibacterial properties of cotton/spandex fabric were studied in this research. Experimental results disclosed that, ameliorative antibacterial efficacy and perdurable UV protection of heat-treated cotton/spandex fabrics with best sample A3 among all samples was achieved and mechanical properties also improved as the temperature rose from 120 to 140°C. In addition, Ultraviolet (UV) radiation protection and antibacterial properties are becoming increasingly necessary for human health, and textiles play an important role and this report will be appurtenant to meet regular demand.

Image Properties of an X-Ray Telescope of the Wolter-1 Type with Emphasis on Contrast Reduction by Diffuse Reflection. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Lenzen, R.

1980-01-01

Theoretical and experimental results are presented on the geometrical-optic imaging properties of a Wolter-1 type paraboloid-hyperboloid X-ray telescope. Particular consideration is given to the effect of microroughness of the mirror on the imaging properties. Experiments were conducted in which scattering properties were determined as a function of wavelength, incidence angle, and roughness of the plane mirrors. Results indicate the need for optimization of mirror material and polishing technology as well as the development of improved mirror manufacturing techniques. The use of transmission gratings along with the Wolter-1 type telescope in spectroscopy applications is discussed.

Effects of thermally induced denaturation on technological-functional properties of whey protein isolate-based films.

PubMed

Schmid, M; Krimmel, B; Grupa, U; Noller, K

2014-09-01

This study examined how and to what extent the degree of denaturation affected the technological-functional properties of whey protein isolate (WPI)-based coatings. It was observed that denaturation affected the material properties of WPI-coated films significantly. Surface energy decreased by approximately 20% compared with native coatings. Because the surface energy of a coating should be lower than that of the substrate, this might result in enhanced wettability characteristics between WPI-based solution and substrate surface. Water vapor barrier properties increased by about 35% and oxygen barrier properties increased by approximately 33%. However, significant differences were mainly observed between coatings made of fully native WPI and ones with a degree of denaturation of 25%. Higher degrees of denaturation did not lead to further improvement of material properties. This observation offers cost-saving potential: a major share of denatured whey proteins may be replaced by fully native ones that are not exposed to energy-intensive heat treatment. Furthermore, native WPI solutions can be produced with higher dry matter content without gelatinizing. Hence, less moisture has to be removed through drying, resulting in reduced energy consumption. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Psychometric Properties of Questionnaires on Functional Health Status in Oropharyngeal Dysphagia: A Systematic Literature Review

PubMed Central

Speyer, Renée; Cordier, Reinie; Kertscher, Berit; Heijnen, Bas J

2014-01-01

Introduction. Questionnaires on Functional Health Status (FHS) are part of the assessment of oropharyngeal dysphagia. Objective. To conduct a systematic review of the literature on the psychometric properties of English-language FHS questionnaires in adults with oropharyngeal dysphagia. Methods. A systematic search was performed using the electronic databases Pubmed and Embase. The psychometric properties of the questionnaires were determined based on the COSMIN taxonomy of measurement properties and definitions for health-related patient-reported outcomes and the COSMIN checklist using preset psychometric criteria. Results. Three questionnaires were included: the Eating Assessment Tool (EAT-10), the Swallowing Outcome after Laryngectomy (SOAL), and the Self-report Symptom Inventory. The Sydney Swallow Questionnaire (SSQ) proved to be identical to the Modified Self-report Symptom Inventory. All FHS questionnaires obtained poor overall methodological quality scores for most measurement properties. Conclusions. The retrieved FHS questionnaires need psychometric reevaluation; if the overall methodological quality shows satisfactory improvement on most measurement properties, the use of the questionnaires in daily clinic and research can be justified. However, in case of insufficient validity and/or reliability scores, new FHS questionnaires need to be developed using and reporting on preestablished psychometric criteria as recommended in literature. PMID:24877095

Thermal properties of light-weight concrete with waste polypropylene aggregate

NASA Astrophysics Data System (ADS)

Záleská, Martina; Pokorný, Jaroslav; Pavlíková, Milena; Pavlík, Zbyšek

2017-07-01

Thermal properties of a sustainable light-weight concrete incorporating high volume of waste polypropylene as partial substitution of natural aggregate were studied in the paper. Glass fiber reinforced polypropylene (GFPP), a by-product of PP tubes production, partially substituted fine natural silica aggregate in 10, 20, 30, 40, and 50 mass%. In order to quantify the effect of GFPP use on concrete properties, a reference concrete mix without plastic waste was studied as well. For the applied GFPP, bulk density, matrix density, and particle size distribution were measured. Specific attention was paid to thermal transport and storage properties of GFPP that were examined in dependence on compaction time. For the developed light-weight concrete, thermal properties were accessed using transient impulse technique, whereas the measurement was done in dependence on moisture content, from the dry state to fully water saturated state. Additionally, the investigated thermal properties were plotted as function of porosity. The tested light-weight concrete was found to be prospective construction material possessing improved thermal insulation function. Moreover, the reuse of waste plastics in concrete composition was beneficial both from the environmental and financial point of view considering plastics low biodegradability and safe disposal.

Regional Variation in the Structural Response and Geometrical Properties of Human Ribs

PubMed Central

Cormier, Joseph M.; Stitzel, Joel D.; Duma, Stefan M.; Matsuoka, Fumio

2005-01-01

By incorporating material and geometrical properties into a model of the human thorax one can develop an injury criterion that is a function of stress and strain of the material and not a function of the global response of the thorax. Previous research on the mechanical properties of ribs has focused on a limited set of specific ribs. For this study a total of 52 rib specimens were removed from four cadaver subjects. Variation in peak moment by thoracic region was significant (p < 0.01) with average values of 2, 2.9 and 3.9 N-m for the anterior, lateral and posterior regions respectively. Two geometrical properties, radius of gyration and distance from the neutral axis, showed significant variation by region (p < 0.0001) as well as by rib level (p = < 0.01, 0.05). The results of this study can be used to update current models of the human thorax to account for the variation in strength and geometrical properties throughout the rib cage. Accounting for the variation in rib properties by region will improve injury predictive measures and, therefore, the ability to design systems to prevent thoracic injury. PMID:16179146

Anti-inflammatory treatment improves high-density lipoprotein function in rheumatoid arthritis

PubMed Central

O'Neill, Francis; Charakida, Marietta; Topham, Eric; McLoughlin, Eve; Patel, Neha; Sutill, Emma; Kay, Christopher W M; D'Aiuto, Francesco; Landmesser, Ulf; Taylor, Peter C; Deanfield, John

2017-01-01

Objective Patients with rheumatoid arthritis (RA) are at increased cardiovascular risk. Recent studies suggest that high-density lipoprotein (HDL) may lose its protective vascular phenotype in inflammatory conditions. However, the effects of common anti-inflammatory treatments on HDL function are not yet known. Methods We compared the function of HDL in 18 patients with RA and 18 matched healthy controls. Subsequently, patients were randomised to (methotrexate+infliximab (M+I) (5 mg/kg)) or methotrexate+placebo (M+P) infusions for 54 weeks. At week 54 and thereafter, all patients received infliximab therapy until completion of the trial (110 weeks), enabling assessment of the impact of 1 year of infliximab therapy in all patients. HDL functional properties were assessed at baseline, 54 weeks and 110 weeks by measuring the impact on endothelial nitric oxide (NO) bioavailability and superoxide production (SO), paraoxonase activity (PON-1) and cholesterol efflux. Results All HDL vascular assays were impaired in patients compared with controls. After 54 weeks, NO in response to HDL was significantly greater in patients who received M+I compared with those who received M+P. Endothelial SO in response to HDL was reduced in both groups, but PON-1 and cholesterol efflux remained unchanged. All vascular measures improved compared with baseline after ≥1 infliximab therapy in the analysis at 110 weeks. No significant trend was noted for cholesterol efflux. Conclusions HDL function can be improved with anti-inflammatory treatment in patients with RA. The M+I combination was superior to the M+P alone, suggesting that the tumour necrosis factor-α pathway may have a role in HDL vascular properties. PMID:27852695

Controlled Radical Polymerization as an Enabling Approach for the Next Generation of Protein-Polymer Conjugates.

PubMed

Pelegri-O'Day, Emma M; Maynard, Heather D

2016-09-20

Protein-polymer conjugates are unique constructs that combine the chemical properties of a synthetic polymer chain with the biological properties of a biomacromolecule. This often leads to improved stabilities, solubilities, and in vivo half-lives of the resulting conjugates, and expands the range of applications for the proteins. However, early chemical methods for protein-polymer conjugation often required multiple polymer modifications, which were tedious and low yielding. To solve these issues, work in our laboratory has focused on the development of controlled radical polymerization (CRP) techniques to improve synthesis of protein-polymer conjugates. Initial efforts focused on the one-step syntheses of protein-reactive polymers through the use of functionalized initiators and chain transfer agents. A variety of functional groups such as maleimide and pyridyl disulfide could be installed with high end-group retention, which could then react with protein functional groups through mild and biocompatible chemistries. While this grafting to method represented a significant advance in conjugation technique, purification and steric hindrance between large biomacromolecules and polymer chains often led to low conjugation yields. Therefore, a grafting from approach was developed, wherein a polymer chain is grown from an initiating site on a functionalized protein. These conjugates have demonstrated improved homogeneity, characterization, and easier purification, while maintaining protein activity. Much of this early work utilizing CRP techniques focused on polymers made up of biocompatible but nonfunctional monomer units, often containing oligoethylene glycol meth(acrylate) or N-isopropylacrylamide. These branched polymers have significant advantages compared to the historically used linear poly(ethylene glycols) including decreased viscosities and thermally responsive behavior, respectively. Recently, we were motivated to use CRP techniques to develop polymers with rationally designed and functional biological properties for conjugate preparation. Specifically, two families of saccharide-inspired polymers were developed for stabilization and activation of therapeutic biomolecules. A series of polymers with trehalose side-chains and vinyl backbones were prepared and used to stabilize proteins against heat and lyophilization stress as both conjugates and additives. These materials, which combine properties of osmolytes with nonionic surfactants, have significant potential for in vivo therapeutic use. Additionally, polymers that mimic the structure of the naturally occurring polysaccharide heparin were prepared. These polymers contained negatively charged sulfonate groups and imparted stabilization to a heparin-binding growth factor after conjugation. A screen of other sulfonated polymers led to the development of a polymer with improved heparin mimesis, enhancing both stability and activity of the protein to which it was attached. Chemical improvements over the past decade have enabled the preparation of a diverse set of protein-polymer conjugates by controlled polymerization techniques. Now, the field should thoroughly explore and expand both the range of polymer structures and also the applications available to protein-polymer conjugates. As we move beyond medicine toward broader applications, increased collaboration and interdisciplinary work will result in the further development of this exciting field.

Fermented cereal beverages: from probiotic, prebiotic and synbiotic towards Nanoscience designed healthy drinks.

PubMed

Salmerón, I

2017-08-01

The consumption of fermented foods by human kind goes a long way back in history and there are as many types of fermented food as civilizations. Food Science and Technology has progressed from designing nutritional foods towards food with health improvement characteristics such as functional foods. In this sense, the area of food with properties to improve gastrointestinal health such as probiotics, prebiotics and synbiotics has been the most important segment within functional foods. Most of these products are dairy-based so the development of nondairy gut improvement products has been of great interest for the food industry, resulting in the rise of cereal-based probiotic and synbiotic products. Finally, through Nanoscience and the application of Nanotechnology techniques in the food sector, it has been possible to design fermented beverages with synbiotic properties, and the incorporation of nanoparticles with unique and specific bioactivity, which has opened a new horizon in this segment of food created to improve human health and well-being. There is currently a great interest in producing healthy food in particular that which has an impact in improving the gastrointestinal health such as probiotics, prebiotics and synbiotics. Most of these functional foods are dairy based and have been greatly accepted worldwide. Nevertheless, there has been a need for the development of nondairy probiotic, prebiotic and synbiotic products. This has encouraged food scientists to study the feasibility of applying other fermenting substrates such as cereals for the development of innovative nondairy fermented functional foods. Therefore, in this review we have addressed the significance of applying cereals and their fractions for the development of probiotic, prebiotic and synbiotic beverages. Furthermore, we have presented the importance of including nanoscience and nanotechnology techniques for the creation of fermented cereal beverages that contain specific bioactive nanoparticles. Thus, this work provides the guidelines to promote the development of novel nano-designed fermented cereal beverages that could significantly have an impact on the health of the consumers. © 2017 The Society for Applied Microbiology.

Ultrasound assisted synthesis of PANI/ZnMoO4 nanocomposite for simultaneous improvement in anticorrosion, physico-chemical properties and its application in gas sensing.

PubMed

Bhanvase, B A; Darda, N S; Veerkar, N C; Shende, A S; Satpute, S R; Sonawane, S H

2015-05-01

Ultrasound assisted in-situ semi-batch emulsion polymerization has been used for the preparation of polyaniline (PANI) and PANI/ZnMoO4 nanocomposite with different loading of ZnMoO4 (ZM) nanoparticles. ZM nanoparticles were functionalized using Myristic acid (MA) for better compatibility with PANI. The cavitational effects induced due to ultrasonic irradiations have been shown significant enhancement in the dispersion of functionalized ZM nanoparticles into the PANI during ultrasound assisted in-situ emulsion polymerization process. TEM images of PANI/ZM nanocomposite particles give the direct evidence of fine dispersion and encapsulation of MA treated ZM nanoparticles in PANI matrix. The presence of ZM nanoparticles in PANI/ZM nanocomposite shows significant improvement in the mechanical (cross-cut adhesion), thermal, anticorrosion and sensing properties of PANI/ZM nanocomposite/alkyd coatings over PANI/alkyd and neat alkyd resin coating. Fine and uniform dispersion of ZM nanoparticles in PANI matrix using this novel synthesis method (PANI (p-type)/ZM (n-type) hetero-junction) improves LPG sensing ability and minimizes response time to sense LPG significantly compared with neat PANI. Copyright © 2014 Elsevier B.V. All rights reserved.

Hydrothermally Driven Transformation of Oxygen Functional Groups at Multiwall Carbon Nanotubes for Improved Electrocatalytic Applications.

PubMed

Suryanto, Bryan H R; Chen, Sheng; Duan, Jingjing; Zhao, Chuan

2016-12-28

The role of carbon nanotubes in the advancement of energy conversion and storage technologies is undeniable. In particular, carbon nanotubes have attracted significant applications for electrocatalysis. However, one central issue related to the use of carbon nanotubes is the required oxidative pretreatment that often leads to significant damage of graphitic structures which deteriorates their electrochemical properties. Traditionally, the oxidized carbon nanomaterials are treated at high temperature under an inert atmosphere to repair the oxidation-induced defect sites, which simultaneously removes a significant number of oxygen functional groups. Nevertheless, recent studies have shown that oxygen functional groups on the surface of MWCNT are the essential active centers for a number of important electrocatalytic reactions such as hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR). Herein we first show that hydrothermal treatment as a mild method to improve the electrochemical properties and activities of surface-oxidized MWCNT for OER, HER, and ORR without significantly altering the oxygen content. The results indicate that hydrothermal treatment could potentially repair the defects without significantly reducing the pre-existing oxygen content, which has never been achieved before with conventional high-temperature annealing treatment.

The technology for creating of decorative plywood with low formaldehyde emission

NASA Astrophysics Data System (ADS)

Safin, R. R.; Khasanshin, R. R.; Shaikhutdinova, A. R.; Ziatdinov, R. R.

2015-10-01

The development of new technologies of processing of industrial art products to improve their functional, ergonomic and aesthetic properties is one of the important directions of improvement of product design. The article presents the technology of preliminary contact thermal modification of sheets of veneer in the production of low-toxic decorative plywood and laminated products, which lets significantly improve their water resistance. It has been established that thermal modification of wood material causes a decrease in density with increasing temperature and duration of treatment. A mathematical model describing the process of heat treatment of wood veneer and allowing predicting the degree of thermal modification of wood material depending on the modes of modification has been developed. Several studies to determine the basic properties of plywood made on the basis of heat-treated veneer were conducted in the work. Studies have shown that the thermal effect on veneer in the manufacture of plywood provides improves water-repellent properties of it, while not increasing its toxicity. It has also been found that the alternating of layers of wood with varying degrees of heat treatment when creating laminated products greatly enhances the decorative features of the products.

Improved Composites Using Crosslinked, Surface-Modified Carbon Nanotube Materials

NASA Technical Reports Server (NTRS)

Baker, James Stewart

2014-01-01

Individual carbon nanotubes (CNTs) exhibit exceptional tensile strength and stiffness; however, these properties have not translated well to the macroscopic scale. Premature failure of bulk CNT materials under tensile loading occurs due to the relatively weak frictional forces between adjacent CNTs, leading to poor load transfer through the material. When used in polymer matrix composites (PMCs), the weak nanotube-matrix interaction leads to the CNTs providing less than optimal reinforcement.Our group is examining the use of covalent crosslinking and surface modification as a means to improve the tensile properties of PMCs containing carbon nanotubes. Sheet material comprised of unaligned multi-walled carbon nanotubes (MWCNT) was used as a drop-in replacement for carbon fiber in the composites. A variety of post-processing methods have been examined for covalently crosslinking the CNTs to overcome the weak inter-nanotube shear interactions, resulting in improved tensile strength and modulus for the bulk sheet material. Residual functional groups from the crosslinking chemistry may have the added benefit of improving the nanotube-matrix interaction. Composites prepared using these crosslinked, surface-modified nanotube sheet materials exhibit superior tensile properties to composites using the as received CNT sheet material.

Modifying Surface Energy of Graphene via Plasma-Based Chemical Functionalization to Tune Thermal and Electrical Transport at Metal Interfaces.

PubMed

Foley, Brian M; Hernández, Sandra C; Duda, John C; Robinson, Jeremy T; Walton, Scott G; Hopkins, Patrick E

2015-08-12

The high mobility exhibited by both supported and suspended graphene, as well as its large in-plane thermal conductivity, has generated much excitement across a variety of applications. As exciting as these properties are, one of the principal issues inhibiting the development of graphene technologies pertains to difficulties in engineering high-quality metal contacts on graphene. As device dimensions decrease, the thermal and electrical resistance at the metal/graphene interface plays a dominant role in degrading overall performance. Here we demonstrate the use of a low energy, electron-beam plasma to functionalize graphene with oxygen, fluorine, and nitrogen groups, as a method to tune the thermal and electrical transport properties across gold-single layer graphene (Au/SLG) interfaces. We find that while oxygen and nitrogen groups improve the thermal boundary conductance (hK) at the interface, their presence impairs electrical transport leading to increased contact resistance (ρC). Conversely, functionalization with fluorine has no impact on hK, yet ρC decreases with increasing coverage densities. These findings indicate exciting possibilities using plasma-based chemical functionalization to tailor the thermal and electrical transport properties of metal/2D material contacts.

[Clinical observation on treatment of functional constipation with compound plantain-senna granules].

PubMed

Zhang, Chao-xian

2009-12-01

To investigate the efficacy and safety of compound plantain-senna granule (CPSG) in the treatment of functional constipation. Eighty patients with confirmed diagnosis of functional constipation were assigned to 2 groups. The 40 patients in the treatment group were treated with CPSG 5 g per day, while the 40 patients in the control group were treated with equal volume of starch granule, for 2 weeks totally. The defecating frequency and stool property, the scores of fecal discharge difficulty and accompanied symptoms, the gastrointestinal transmission time, and adverse reaction of treatment in the two groups were observed before and after treatment. Parameters of defecating frequency, stool property, the scores of fecal discharge difficulty, accompanied symptoms and the gastrointestinal transmission time were unchanged after treatment in the control group (P > 0.05); while in the treatment group, they improved significantly (P < 0.05) and showed significant difference to those in the control group respectively (P < 0. 05). No serious adverse reaction occurred in both groups. CPSG can obviously increase the defecating frequency, change the stool property, alleviate the fecal discharging difficult symptom and accompanied symptom, and shorten the gastrointestinal transmission time in patients with functional constipation with good security and tolerability.

Expediting Combinatorial Data Set Analysis by Combining Human and Algorithmic Analysis.

PubMed

Stein, Helge Sören; Jiao, Sally; Ludwig, Alfred

2017-01-09

A challenge in combinatorial materials science remains the efficient analysis of X-ray diffraction (XRD) data and its correlation to functional properties. Rapid identification of phase-regions and proper assignment of corresponding crystal structures is necessary to keep pace with the improved methods for synthesizing and characterizing materials libraries. Therefore, a new modular software called htAx (high-throughput analysis of X-ray and functional properties data) is presented that couples human intelligence tasks used for "ground-truth" phase-region identification with subsequent unbiased verification by an algorithm to efficiently analyze which phases are present in a materials library. Identified phases and phase-regions may then be correlated to functional properties in an expedited manner. For the functionality of htAx to be proven, two previously published XRD benchmark data sets of the materials systems Al-Cr-Fe-O and Ni-Ti-Cu are analyzed by htAx. The analysis of ∼1000 XRD patterns takes less than 1 day with htAx. The proposed method reliably identifies phase-region boundaries and robustly identifies multiphase structures. The method also addresses the problem of identifying regions with previously unpublished crystal structures using a special daisy ternary plot.

Detectors based on Pd-doped and PdO-functionalized ZnO nanostructures

NASA Astrophysics Data System (ADS)

Postica, V.; Lupan, O.; Ababii, N.; Hoppe, M.; Adelung, R.; Chow, L.; Sontea, V.; Aschehoug, P.; Viana, V.; Pauporté, Th.

2018-02-01

In this work, zinc oxide (ZnO) nanostructured films were grown using a simple synthesis from chemical solutions (SCS) approach from aqueous baths at relatively low temperatures (< 95 °C). The samples were doped with Pd (0.17 at% Pd) and functionalized with PdO nanoparticles (NPs) using the PdCl2 aqueous solution and subsequent thermal annealing at 650 °C for 30 min. The morphological, micro-Raman and optical properties of Pd modified samples were investigated in detail and were demonstrated to have high crystallinity. Gas sensing studies unveiled that compared to pure ZnO films, the Pd-doped ZnO (ZnO:Pd) nanostructured films showed a decrease in ethanol vapor response and slight increase in H2 response with low selectivity. However, the PdO-functionalized samples showed excellent H2 gas sensing properties with possibility to detect H2 gas even at room temperature (gas response of 2). Up to 200 °C operating temperature the samples are highly selective to H2 gas, with highest response of 12 at 150 °C. This study demonstrates that surface functionalization of n-ZnO nanostructured films with p-type oxides is very important for improvement of gas sensing properties.

Role of chemical functional groups on thermal and electrical properties of various graphene oxide derivatives: a comparative x-ray photoelectron spectroscopy analysis

NASA Astrophysics Data System (ADS)

Balaji Mohan, Velram; Jakisch, Lothar; Jayaraman, Krishnan; Bhattacharyya, Debes

2018-03-01

In recent years, graphene and its derivatives have become prominent subject matter due to their fascinating combination of properties and potential applications in a number application. While several fundamental studies have been progressed, there is a particular need to understand how different graphene derivatives are influenced in terms of their electrical and thermal conductivities by different functional groups they end up with through their manufacturing and functionalisation methods. This article addresses of the role of different functional groups present of different of reduced graphene oxides (rGO) concerning their electrical and thermal properties, and the results were compared with elemental analyses of functionalised reduced graphene oxide (frGO) and graphene. The results showed that electrical and thermal conductivities of the rGO samples, highly dependent on the presence of residual functional groups from oxidation, reduction and functionalisation processes. The increase in reduction of oxygen, hydroxyl, carboxylic, epoxide moieties and heterocyclic compounds increase the specific surface area of the samples through which the mean electron path has increased. This improved both electrical and thermal conductivities together in all the samples which were highly dependent on the efficiency of different reductant used in this study.

Thermal Diffusivity for III-VI Semiconductor Melts at Different Temperatures

NASA Technical Reports Server (NTRS)

Ban, H.; Li, C.; Lin, B.; Emoto, K.; Scripa, R. N.; Su, C.-H.; Lehoczky, S. L.

2004-01-01

The change of the thermal properties of semiconductor melts reflects the structural changes inside the melts, and a fundamental understanding of this structural transformation is essential for high quality semiconductor crystal growth process. This paper focused on the technical development and the measurement of thermal properties of III-VI semiconductor melts at high temperatures. Our previous work has improved the laser flash method for the specialized quartz sample cell. In this paper, we reported the results of our recent progress in further improvements of the measurement system by minimizing the free convection of the melt, adding a front IR detector, and placing the sample cell in a vacuum environment. The results for tellurium and selenium based compounds, some of which have never been reported in the literature, were obtained at different temperatures as a function of time. The data were compared with other measured thermophysical properties to shed light on the structural transformations of the melt.

Peptides from Fish By-product Protein Hydrolysates and Its Functional Properties: an Overview.

PubMed

Zamora-Sillero, Juan; Gharsallaoui, Adem; Prentice, Carlos

2018-04-01

The inadequate management of fish processing waste or by-products is one of the major problems that fish industry has to face nowadays. The mismanagement of this raw material leads to economic loss and environmental problems. The demand for the use of these by-products has led to the development of several processes in order to recover biomolecules from fish by-products. An efficient way to add value to fish waste protein is protein hydrolysis. Protein hydrolysates improve the functional properties and allow the release of peptides of different sizes with several bioactivities such as antioxidant, antimicrobial, antihypertensive, anti-inflammatory, or antihyperglycemic among others. This paper reviews different methods for the production of protein hydrolysates as well as current research about several fish by-products protein hydrolysates bioactive properties, aiming the dual objective: adding value to these underutilized by-products and minimizing their negative impact on the environment.

Calculation of the dielectric properties of semiconductors

NASA Astrophysics Data System (ADS)

Engel, G. E.; Farid, Behnam

1992-12-01

We report on numerical calculations of the dynamical dielectric function in silicon, using a continued-fraction expansion of the polarizability and a recently proposed representation of the inverse dielectric function in terms of plasmonlike excitations. A number of important technical refinements to further improve the computational efficiency of the method are introduced, making the ab initio calculation of the full energy dependence of the dielectric function comparable in cost to calculation of its static value. Physical results include the observation of previously unresolved features in the random-phase approximated dielectric function and its inverse within the framework of density-functional theory in the local-density approximation, which may be accessible to experiment. We discuss the dispersion of plasmon energies in silicon along the Λ and Δ directions and find improved agreement with experiment compared to earlier calculations. We also present quantitative evidence indicating the degree of violation of the Johnson f-sum rule for the dielectric function due to the nonlocality of the one-electron potential used in the underlying band-structure calculations.

A convenient strategy to functionalize carbon nanotubes with ascorbic acid and its effect on the physical and thermomechanical properties of poly(amide–imide) composites

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

Mallakpour, Shadpour, E-mail: mallak@cc.iut.ac.ir; Nanotechnology and Advanced Materials Institute, Isfahan University of Technology, Isfahan 84156-83111, I.R. Iran; Zadehnazari, Amin

Multi-walled carbon nanotubes (MWCNTs) were functionalized by ascorbic acid by a fast strategy under microwave irradiation to improve interfacial interactions and dispersion of CNTs in a poly(amide–imide) (PAI) matrix. This technique provides a rapid and economically viable route to produce covalently functionalized CNTs. The as-prepared, new type of functionalized CNTs were analyzed by several techniques. The thermal stabilities and mechanical interfacial properties of CNT/PAI composites were investigated using several techniques. The dispersion state of CNTs in the PAI matrix was observed by field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). The mechanical interfacial property of the compositesmore » was significantly increased by the addition of ascorbic acid treated CNTs. The FE-SEM and TEM results showed that the separation and uniform dispersion of CNTs in the PAI matrix. The overview of these recent results is presented. -- Graphical abstract: Presentation of possible interactions of hydrogen bonding between the MWCNT-AS and the PAI chains. Highlights: • Surface functionalization of MWCNTs with ascorbic acid under microwave irradiation. • The MWCNT-AS/PAI composite films were fabricated by solution blending process. • Microstructure and MWCNT states in the composites were studied. • Thermal and mechanical properties of the composite films were evaluated. • Films of different contents of the MWCNTs-AS showed a superior tensile behavior.« less

A novel method for air drying aloe leaf slices by covering with filter papers as a shrink-proof layer.

PubMed

Kim, S A; Baek, J H; Lee, S J; Choi, S Y; Hur, W; Lee, S Y

2009-01-01

To prevent the shrinkage of aloe vera slices during air drying, a method utilizing a shrink-proof layer was developed. The sample was configured of whole leaf aloe slices, where 1 side or both sides were covered with filter papers as shrink-proof layers. After air drying by varying the air temperature and the slice thickness, the drying characteristics, as well as several quality factors of the dried aloe vera leaf slices, were analyzed. In the simulation of the drying curves, the modified Page model showed the best fitness, representing a diffusion-controlled drying mechanism. Nonetheless, there was a trace of a constant-rate drying period in the samples dried by the method. Shrinkage was greatly reduced, and the rehydration ratios increased by approximately 50%. Scanning electron microscopic analysis revealed that the surface structure of original fibrous form was well sustained. FT-IR characteristics showed that the dried samples could sustain aloe polysaccharide acetylation. Furthermore, the functional properties of the dried slices including water holding capacity, swelling, and fat absorption capability were improved, and polysaccharide retention levels increased by 20% to 30%. Therefore, we concluded that application of shrink-proof layers on aloe slices provides a novel way to overcome the shrinkage problems commonly found in air drying, thereby improving their functional properties with less cost. Practical Application: This research article demonstrates a novel air drying method using shrink-proof layers to prevent the shrinkage of aloe slices. We analyzed extensively the characteristics of shrinkage mechanism and physical properties of aloe flesh gels in this drying system. We concluded that this method can be a beneficial means to retain the functional properties of dried aloe, and a potential alternative to freeze drying, which is still costly.

A systemic study on key parameters affecting nanocomposite coatings on magnesium substrates.

PubMed

Johnson, Ian; Wang, Sebo Michelle; Silken, Christine; Liu, Huinan

2016-05-01

Nanocomposite coatings offer multiple functions simultaneously to improve the interfacial properties of magnesium (Mg) alloys for skeletal implant applications, e.g., controlling the degradation rate of Mg substrates, improving bone cell functions, and providing drug delivery capability. However, the effective service time of nanocomposite coatings may be limited due to their early delamination from the Mg-based substrates. Therefore, the objective of this study was to address the delamination issue of nanocomposite coatings, improve the coating properties for reducing the degradation of Mg-based substrates, and thus improve their cytocompatibility with bone marrow derived mesenchymal stem cells (BMSCs). The surface conditions of the substrates, polymer component type of the nanocomposite coatings, and post-deposition processing are the key parameters that contribute to the efficacy of the nanocomposite coatings in regulating substrate degradation and bone cell responses. Specifically, the effects of metallic surface versus alkaline heat-treated hydroxide surface of the substrates on coating quality were investigated. For the nanocomposite coatings, nanophase hydroxyapatite (nHA) was dispersed in three types of biodegradable polymers, i.e., poly(lactic-co-glycolic acid) (PLGA), poly(l-lactic acid) (PLLA), or poly(caprolactone) (PCL) to determine which polymer component could provide integrated properties for slowest Mg degradation. The nanocomposite coatings with or without post-deposition processing, i.e., melting, annealing, were compared to determine which processing route improved the properties of the nanocomposite coatings most significantly. The results showed that optimizing the coating processes addressed the delamination issue. The melted then annealed nHA/PCL coating on the metallic Mg substrates showed the slowest degradation and the best coating adhesion, among all the combinations of conditions studied; and, it improved the adhesion density of BMSCs. This study elucidated the key parameters for optimizing nanocomposite coatings on Mg-based substrates for skeletal implant applications, and provided rational design guidelines for the nanocomposite coatings on Mg alloys for potential clinical translation of biodegradable Mg-based implants. This manuscript describes the systemic optimization of nanocomposite coatings to control the degradation and bioactivity of magnesium for skeletal implant applications. The key parameters influencing the integrity and functions of the nanocomposite coatings on magnesium were identified, guidelines for the optimization of the coatings were established, and the benefits of coating optimization were demonstrated through reduced magnesium degradation and increased bone marrow derived mesenchymal stem cell (BMSC) adhesion in vitro. The guidelines developed in this manuscript are valuable for the biometal field to improve the design of bioresorbable implants and devices, which will advance the clinical translation of magnesium-based implants. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Dietary supplementation with coffee improves motor and cognitive performance in aged rats

USDA-ARS?s Scientific Manuscript database

Polyphenols found in fruits and nuts have anti-inflammatory properties that may provide protection against the decline of cognitive, motor and neuronal function in senescence. The presence of a number of bioactive compounds (e.g., polyphenols) implicates coffee as a potential nutritional therapeutic...

Understanding What Is in Your Insurance Policies.

ERIC Educational Resources Information Center

Kahn, Steven P.

This document outlines the various types of insurance policies and their functions to help school administrators improve their management of risk. Eight exhibits highlight information on the following topics: the five basic sections of all insurance policies; key property insurance clauses; general liability; school board legal liability; the…

Software Requirements Specification of A Proposed Plant Property Management Information System for the Naval Postgraduate School.

DTIC Science & Technology

1982-12-01

information system (MIS) to support Plant Account equipment related functions could eliminate data handling redundancy and improved Plant Account...system users and accountability for more than 2000 individual equipment items worth over seven million dollars. Implementation of a management

Comprehensive process maps for synthesizing high density aluminum oxide-carbon nanotube coatings by plasma spraying for improved mechanical and wear properties

NASA Astrophysics Data System (ADS)

Keshri, Anup Kumar

Plasma sprayed aluminum oxide ceramic coating is widely used due to its outstanding wear, corrosion, and thermal shock resistance. But porosity is the integral feature in the plasma sprayed coating which exponentially degrades its properties. In this study, process maps were developed to obtain Al2O3-CNT composite coatings with the highest density (i.e. lowest porosity) and improved mechanical and wear properties. Process map is defined as a set of relationships that correlates large number of plasma processing parameters to the coating properties. Carbon nanotubes (CNTs) were added as reinforcement to Al2O 3 coating to improve the fracture toughness and wear resistance. Two novel powder processing approaches viz spray drying and chemical vapor growth were adopted to disperse CNTs in Al2O3 powder. The degree of CNT dispersion via chemical vapor deposition (CVD) was superior to spray drying but CVD could not synthesize powder in large amount. Hence optimization of plasma processing parameters and process map development was limited to spray dried Al2O3 powder containing 0, 4 and 8 wt. % CNTs. An empirical model using Pareto diagram was developed to link plasma processing parameters with the porosity of coating. Splat morphology as a function of plasma processing parameter was also studied to understand its effect on mechanical properties. Addition of a mere 1.5 wt. % CNTs via CVD technique showed ˜27% and ˜24% increase in the elastic modulus and fracture toughness respectively. Improved toughness was attributed to combined effect of lower porosity and uniform dispersion of CNTs which promoted the toughening by CNT bridging, crack deflection and strong CNT/Al2O3 interface. Al2O 3-8 wt. % CNT coating synthesized using spray dried powder showed 73% improvement in the fracture toughness when porosity reduced from 4.7% to 3.0%. Wear resistance of all coatings at room and elevated temperatures (573 K, 873 K) showed improvement with CNT addition and decreased porosity. Such behavior was due to improved mechanical properties, protective film formation due to tribochemical reaction, and CNT bridging between the splats. Finally, process maps correlating porosity content, CNT content, mechanical properties, and wear properties were developed.

Probiotic Bacillus spp. in Soy-Curd: Nutritional, Rheological, Sensory, and Antioxidant Properties.

PubMed

Shobharani, P; Prakash, Maya; Halami, Prakash M

2015-10-01

The focus of this study was to coculture probiotic Bacillus spp. with dairy starter cultures namely, Streptococcus thermophilus and Lactobacillus bulgaricus for enhanced nutritional properties of soy-curd. Subsequently, rheological, sensory, and antioxidant properties of soy-curd along with mineral as well as fatty acid composition were analyzed. Data revealed an increase in the cell viability of probiotic Bacillus spp. on coculturing rather than as mono-culture. Proximate analysis showed higher nutritional value along with increased trace elements. UFA/SFA ratio, rheology, and sensory properties of probiotic soy-curd were in the acceptable range. Probiotic soy-curd showed higher antioxidant activity as measured by the ability to scavenge free radicals. No significant difference in the overall quality within the probiotic products was observed. However, B. flexus MCC2427 cocultured product displayed slightly better attributes than other samples. In general, the results suggest that soy-curd can be a suitable carrier for probiotic Bacillus spp. and the enhanced nutritional and antioxidant properties could be of additional advantage to combat malnutrition problem. In order to supply consumers with intriguing probiotic products for improving health benefits, several criteria including technological and functional properties should be considered as a quality control measures. Further, a meaningful level of probiotics has to be viable to exhibit beneficial effect. Hence, present work has been carried out to improve the quality of soy-curd by supplementation of probiotic Bacillus spp. These Bacillus spp. are well characterized native probiotic cultures with potential functional attributes including antimicrobial, antioxidant, anticholesterol activity (Shobharani and Halami 2014). Hence, the application of these cultures will encourage for development of food product with wider health benefits. © 2015 Institute of Food Technologists®

Beneficial effects of herbs, spices and medicinal plants on the metabolic syndrome, brain and cognitive function.

PubMed

Panickar, Kiran S

2013-03-01

Herbs and spices have been used since ancient times to not only improve the flavor of edible food but also to prevent and treat chronic health maladies. While the scientific evidence for the use of such common herbs and medicinal plants then had been scarce or lacking, the beneficial effects observed from such use were generally encouraging. It is, therefore, not surprising that the tradition of using such herbs, perhaps even after the advent of modern medicine, has continued. More recently, due to an increased interest in understanding the nutritional effects of herbs/spices more comprehensively, several studies have examined the cellular and molecular modes of action of the active chemical components in herbs and their biological properties. Beneficial actions of herbs/spices include anti-inflammatory, antioxidant, anti-hypertensive, gluco-regulatory, and anti-thrombotic effects. One major component of herbs and spices is the polyphenols. Some of the aforementioned properties are attributed to the polyphenols and they are associated with attenuating the metabolic syndrome. Detrimental changes associated with the metabolic syndrome over time affect brain and cognitive function. Metabolic syndrome and type-2 diabetes are also risk factors for Alzheimer's disease and stroke. In addition, the neuroprotective effects of herbs and spices have been demonstrated and, whether directly or indirectly, such beneficial effects may also contribute to an improvement in cognitive function. This review evaluates the current evidence available for herbs/spices in potentially improving the metabolic syndrome, as well as their neuroprotective effects on the brain, and cognitive function in animal and human studies.

Error-based analysis of optimal tuning functions explains phenomena observed in sensory neurons.

PubMed

Yaeli, Steve; Meir, Ron

2010-01-01

Biological systems display impressive capabilities in effectively responding to environmental signals in real time. There is increasing evidence that organisms may indeed be employing near optimal Bayesian calculations in their decision-making. An intriguing question relates to the properties of optimal encoding methods, namely determining the properties of neural populations in sensory layers that optimize performance, subject to physiological constraints. Within an ecological theory of neural encoding/decoding, we show that optimal Bayesian performance requires neural adaptation which reflects environmental changes. Specifically, we predict that neuronal tuning functions possess an optimal width, which increases with prior uncertainty and environmental noise, and decreases with the decoding time window. Furthermore, even for static stimuli, we demonstrate that dynamic sensory tuning functions, acting at relatively short time scales, lead to improved performance. Interestingly, the narrowing of tuning functions as a function of time was recently observed in several biological systems. Such results set the stage for a functional theory which may explain the high reliability of sensory systems, and the utility of neuronal adaptation occurring at multiple time scales.

Classical density functional theory and the phase-field crystal method using a rational function to describe the two-body direct correlation function.

PubMed

Pisutha-Arnond, N; Chan, V W L; Iyer, M; Gavini, V; Thornton, K

2013-01-01

We introduce a new approach to represent a two-body direct correlation function (DCF) in order to alleviate the computational demand of classical density functional theory (CDFT) and enhance the predictive capability of the phase-field crystal (PFC) method. The approach utilizes a rational function fit (RFF) to approximate the two-body DCF in Fourier space. We use the RFF to show that short-wavelength contributions of the two-body DCF play an important role in determining the thermodynamic properties of materials. We further show that using the RFF to empirically parametrize the two-body DCF allows us to obtain the thermodynamic properties of solids and liquids that agree with the results of CDFT simulations with the full two-body DCF without incurring significant computational costs. In addition, the RFF can also be used to improve the representation of the two-body DCF in the PFC method. Last, the RFF allows for a real-space reformulation of the CDFT and PFC method, which enables descriptions of nonperiodic systems and the use of nonuniform and adaptive grids.

Improvement of physico-chemical properties and phenolic compounds bioavailability by concentrating dietary fiber of peach (Prunus persica) juice by-product.

PubMed

Rodríguez-González, Sarahí; Pérez-Ramírez, Iza F; Castaño-Tostado, Eduardo; Amaya-Llano, Silvia; Rodríguez-García, Mario E; Reynoso-Camacho, Rosalía

2018-06-01

This study aimed to concentrate dietary fiber (DF) from peach (Prunus persica) juice by-product (PJBP), to improve its functional properties, and its polyphenols bioavailability. The dietary fiber concentrates (DFCs) were obtained from PJBP using water/ethanol treatments (100:0, 20:80, 50:50, 80:20, and 0:100, v/v) at 1:5 ratio (wet weight/solvent, w/v) for 5 and 20 min at 21 °C. All treatments concentrated condensed tannins, total and insoluble DF, with the highest content found with 100% H 2 O treatment. The major polyphenols of DFC were 4-O-caffeoylquinic, chlorogenic, and 1,5-di-O-caffeoylquinic acids. Water and oil retention capacity and maximum glucose diffusion rate were improved mainly with 100% H 2 O treatment. Healthy rats were fed with a standard diet supplemented with 8% of PJBP, DFC obtained with 100% H 2 O for 5 min, or DFC obtained with 20% EtOH for 5 min. Gastrointestinal digesta weight and viscosity were increased in animals supplemented with 100% H 2 O DFC. Moreover, the urinary excretion of polyphenol metabolites, mainly glucuronide and sulfate conjugates, was increased with this treatment, indicating a greater bioavailability of PJBP polyphenols, which was associated with an increased dietary fiber porosity. Water treatment could be used to potentiate PJBP functional properties and polyphenols bioavailability. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

An investigation of electrochemomechanical actuation of conductive Polyacrylonitrile (PAN) nanofiber composites

NASA Astrophysics Data System (ADS)

Gonzalez, Mark A.; Walter, Wayne W.

2014-03-01

A polymer-based nanofiber composite actuator designed for contractile actuation was fabricated by electrospinning, stimulated by electrolysis, and characterized by electrochemical and mechanical testing to address performance limitations and understand the activation processing effects on actuation performance. Currently, Electroactive polymers (EAPs) have provided uses in sensory and actuation technology, but have either low force output or expand rather than contract, falling short in capturing the natural kinetics and mechanics of muscle needed to provide breakthroughs in the bio-medical and robotic fields. In this study, activated Polyacrylonitrile (PAN) fibers have demonstrated biomimetic functionalities similar to the sarcomere contraction responsible for muscle function. Activated PAN has also been shown to contract and expand by electrolysis when in close vicinity to the anode and cathode, respectively. PAN nanofibers (~500 nm) especially show faster response to changes in environmental pH and improved mechanical properties compared to larger diameter fibers. Tensile testing was conducted to examine changes in mechanical properties between annealing and hydrolysis processing. Voltage driven transient effects of localized pH were examined to address pHdefined actuation thresholds of PAN fibers. Electrochemical contraction rates of the PAN/Graphite composite actuator demonstrated up to 25%/min. Strains of 58.8%, ultimate stresses up to 77.1 MPa, and moduli of 0.21 MPa were achieved with pure PAN nanofiber mats, surpassing mechanical properties of natural muscles. Further improvements, however, to contraction rates and Young's moduli were found essential to capture the function and performance of skeletal muscles appropriately.

Dielectric Properties of Piezoelectric Polyimides

NASA Technical Reports Server (NTRS)

Ounaies, Z.; Young, J. A.; Simpson, J. O.; Farmer, B. L.

1997-01-01

Molecular modeling and dielectric measurements are being used to identify mechanisms governing piezoelectric behavior in polyimides such as dipole orientation during poling, as well as degree of piezoelectricity achievable. Molecular modeling on polyimides containing pendant, polar nitrile (CN) groups has been completed to determine their remanent polarization. Experimental investigation of their dielectric properties evaluated as a function of temperature and frequency has substantiated numerical predictions. With this information in hand, we are then able to suggest changes in the molecular structures, which will then improve upon the piezoelectric response.

Bioactive components and functional properties of biologically activated cereal grains: A bibliographic review.

PubMed

Singh, Arashdeep; Sharma, Savita

2017-09-22

Whole grains provide energy, nutrients, fibers, and bioactive compounds that may synergistically contribute to their protective effects. A wide range of these compounds is affected by germination. While some compounds, such as β-glucans are degraded, others, like antioxidants and total phenolics are increased by means of biological activation of grains. The water and oil absorption capacity as well as emulsion and foaming capacity of biologically activated grains are also improved. Application of biological activation of grains is of emerging interest, which may significantly enhance the nutritional, functional, and bioactive content of grains, as well as improve palatability of grain foods in a natural way. Therefore, biological activation of cereals can be a way to produce food grains enriched with health-promoting compounds and enhanced functional attributes.

Effects of high hydrostatic pressure on the functional and rheological properties of the protein fraction extracted from pine nuts.

PubMed

Cao, Baiying; Fang, Li; Liu, Chunlei; Min, Weihong; Liu, Jingsheng

2018-01-01

High hydrostatic pressure treatments could increase the protein solubility (200 MPa), water holding capacity (400 MPa), and oil holding capacity (400 MPa) of pine nuts protein fractions, respectively. The exposed sufhydryl content for albumin was highest at 100 MPa while for other fractions it was 400 MPa, contrary for total sufhydryl content-generally it was at 100 MPa, except glutelin (400 MPa). Pine nuts protein fractions demonstrated the typical behavior of weak gels (G' > G″). After the treatments of high hydrostatic pressure the specific surface area of pine nuts protein particle was increased upon pressure, and the surface of protein became rough which increased the particle size. The functional groups of protein were found to be unchanged, but the characteristic peaks of pine nuts protein moved to a low-band displacement and the value of peaks was amplified accordingly to the pressure. The high hydrostatic pressure treatments were found to improve the functional properties of pine nuts protein isolates by enhancing the heat-induced gel strength of pine nuts protein isolates which make proteins more stretchable. These results suggest that high hydrostatic pressure treatments can increase the functional properties and alter the rheological properties of pine nuts protein fractions which will broaden its applications in food industry.

Eicosapentaenoic acid but not docosahexaenoic acid restores skeletal muscle mitochondrial oxidative capacity in old mice

PubMed Central

Johnson, Matthew L; Lalia, Antigoni Z; Dasari, Surendra; Pallauf, Maximilian; Fitch, Mark; Hellerstein, Marc K; Lanza, Ian R

2015-01-01

Mitochondrial dysfunction is often observed in aging skeletal muscle and is implicated in age-related declines in physical function. Early evidence suggests that dietary omega-3 polyunsaturated fatty acids (n-3 PUFAs) improve mitochondrial function. Here, we show that 10 weeks of dietary eicosapentaenoic acid (EPA) supplementation partially attenuated the age-related decline in mitochondrial function in mice, but this effect was not observed with docosahexaenoic acid (DHA). The improvement in mitochondrial function with EPA occurred in the absence of any changes in mitochondrial abundance or biogenesis, which was evaluated from RNA sequencing, large-scale proteomics, and direct measurements of muscle mitochondrial protein synthesis rates. We find that EPA improves muscle protein quality, specifically by decreasing mitochondrial protein carbamylation, a post-translational modification that is driven by inflammation. These results demonstrate that EPA attenuated the age-related loss of mitochondrial function and improved mitochondrial protein quality through a mechanism that is likely linked with anti-inflammatory properties of n-3 PUFAs. Furthermore, we demonstrate that EPA and DHA exert some common biological effects (anticoagulation, anti-inflammatory, reduced FXR/RXR activation), but also exhibit many distinct biological effects, a finding that underscores the importance of evaluating the therapeutic potential of individual n-3 PUFAs. PMID:26010060

Improved Saturated Hydraulic Conductivity Pedotransfer Functions Using Machine Learning Methods

NASA Astrophysics Data System (ADS)

Araya, S. N.; Ghezzehei, T. A.

2017-12-01

Saturated hydraulic conductivity (Ks) is one of the fundamental hydraulic properties of soils. Its measurement, however, is cumbersome and instead pedotransfer functions (PTFs) are often used to estimate it. Despite a lot of progress over the years, generic PTFs that estimate hydraulic conductivity generally don't have a good performance. We develop significantly improved PTFs by applying state of the art machine learning techniques coupled with high-performance computing on a large database of over 20,000 soils—USKSAT and the Florida Soil Characterization databases. We compared the performance of four machine learning algorithms (k-nearest neighbors, gradient boosted model, support vector machine, and relevance vector machine) and evaluated the relative importance of several soil properties in explaining Ks. An attempt is also made to better account for soil structural properties; we evaluated the importance of variables derived from transformations of soil water retention characteristics and other soil properties. The gradient boosted models gave the best performance with root mean square errors less than 0.7 and mean errors in the order of 0.01 on a log scale of Ks [cm/h]. The effective particle size, D10, was found to be the single most important predictor. Other important predictors included percent clay, bulk density, organic carbon percent, coefficient of uniformity and values derived from water retention characteristics. Model performances were consistently better for Ks values greater than 10 cm/h. This study maximizes the extraction of information from a large database to develop generic machine learning based PTFs to estimate Ks. The study also evaluates the importance of various soil properties and their transformations in explaining Ks.

Recent developments on new formulations based on nutrient-dense ingredients for the production of healthy-functional bread: a review.

PubMed

Rahaie, Somayeh; Gharibzahedi, Seyed Mohammad Taghi; Razavi, Seyed Hadi; Jafari, Seid Mahdi

2014-11-01

Bread is one of the oldest functional foods which its health effects have been investigated in many studies. The current communication presents a review of published studies in recent years on the topic and looks at possible future trends in the improved nutritional and health qualities which have been applied in the bakery industry, directing it further to the formulation design and production of functional breads. The results show that many beneficial ingredients such as dietary fibers, phenolic antioxidants, marine ingredients, and n-3 fatty acids can be used in the bread industry to increase its functionality and result in healthy products, low in calories, cholesterol and celiac disease. Moreover, the use of psyllium seed, amaranth seed, chestnut flour and prebiotics in gluten-free bread (GFB) baking may be the promising frontier to improve overall appearance, quality, sensory properties, and shelf-life of GFB.

Silicon-containing polymer-derived ceramic nanocomposites (PDC-NCs): preparative approaches and properties.

PubMed

Ionescu, Emanuel; Kleebe, Hans-Joachim; Riedel, Ralf

2012-08-07

Composites consist by definition of at least two materials (Gibbsian phases) with rather different properties. They exhibit a heterogeneous microstructure and possess improved properties with respect to their components. Furthermore, the design of their microstructure allows for tailoring their overall properties. In the last decades, intense work was performed on the synthesis of nanocomposites, which have the feature that at least one of their components is nanoscaled. However, the microstructure-property relationship of nanocomposite materials is still a challenging topic. This tutorial review paper deals with a special class of nanocomposites, i.e. polymer-derived ceramic nanocomposites (PDC-NCs), which have been shown to be promising materials for various structural and functional applications. Within this context, different preparative approaches for PDC-NCs as well as some of their properties will be presented and discussed. Furthermore, recent results concerning the relationship between the nano/microstructure of PDC-NCs and their properties will be highlighted.

A new generation of effective core potentials for correlated calculations

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

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

Facile fabrication of epoxy-TiO2 nanocomposites: A critical analysis of TiO2 impact on mechanical properties and toughening mechanisms.

PubMed

Goyat, M S; Rana, S; Halder, Sudipta; Ghosh, P K

2018-01-01

Optimized ultrasonic assisted dispersion of un-functionalized titanium dioxide (TiO 2 ) nanoparticles (0.5-20wt%) into epoxy resin is reported. The investigation shows that there is a direct relation among nanoparticles content, inter-particle spacing and cluster size of the particles on the glass transition temperature (T g ) and tensile properties of the prepared nanocomposites. A significant improvement in tensile strength and modulus with minimal detrimental effect on the toughness was observed for the prepared composites, where compared to pristine epoxy resins, about 26% and 18% improvement in tensile strength and strain-to-break %, respectively, was observed for 10wt% particles loading, whereas a maximum improvement of about 54% for tensile toughness was observed for 5wt% particles loaded resins. The investigations found that a strong particle-matrix interface results in the enhancement of the mechanical properties due to leading toughening mechanisms such as crack deflection, particle pull out and plastic deformation. Copyright © 2017 Elsevier B.V. All rights reserved.

A new generation of effective core potentials for correlated calculations

DOE PAGES

Bennett, Michael Chandler; Melton, Cody A.; Annaberdiyev, Abdulgani; ...

2017-12-12

Here, we outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key improvements include consistent use of correlated methods throughout ECP constructions and improved transferability as required for an accurate description of molecular systems over a range of geometries. The guiding principle is the isospectrality of all-electron and ECP Hamiltonians for a subset of valence states. We illustrate these concepts on a few first- and second-row atoms (B, C, N, O, S), and we obtainmore » higher accuracy in transferability than previous constructions while using semi-local ECPs with a small number of parameters. In addition, the constructed ECPs enable many-body calculations of valence properties with higher (or same) accuracy than their all-electron counterparts with uncorrelated cores. This implies that the ECPs include also some of the impacts of core-core and core-valence correlations on valence properties. The results open further prospects for ECP improvements and refinements.« less

Functional properties of protein isolates extracted from stabilized rice bran by microwave, dry heat, and parboiling.

PubMed

Khan, Saima Hafeez; Butt, Masood Sadiq; Sharif, Mian Kamran; Sameen, Ayesha; Mumtaz, Semee; Sultan, Muhammad Tauseef

2011-03-23

Protein isolates extracted from differently stabilized rice bran were analyzed to work out the food use potential. Bulk density remained higher for isolates obtained from heat stabilized bran, the treatments were found to have positive impact on the oil absorption properties, while the water absorption was slightly impaired owing to some possible configurational changes. Surface hydrophobicity and emulsion properties were improved with bran stabilization. Isolates exhibited better foaming properties owing to the flexible nature of protein molecules, with less intensive disulfide bonding, that were slightly affected by the stabilization treatment. Nitrogen solubility index followed a curved pattern with the least value near isoelectric point that showed an increasing trend toward basic pH, and parboiled protein isolates exhibited better gelling properties among the isolates.

Enrichment of rice-based extrudates with Cactus Opuntia dillenii seed powder: a novel source of fiber and antioxidants.

PubMed

Rayan, Ahmed M; Morsy, Noha E; Youssef, Khaled M

2018-02-01

The present study investigated the effects of adding the powder of cactus Opuntia dillenii ( O. dillenii ) seeds on the functional properties, fiber, antioxidants and acceptability of rice-based extrudates. The control blend consisting basically of rice flour was replaced with O. dillenii seed powder at 2, 4, 6, 8, 10, 15 and 20% then extruded at the optimum processing conditions. The extruded products were evaluated for their chemical composition, functional properties, color attributes, antioxidant activity and sensory characteristics. The results revealed that adding O. dillenii seeds powder enhanced the fiber, phenolics, flavonoid contents and antioxidant activity of extrudates. Expansion, bulk density and breaking strength were significantly decreased, while water absorption index, water solubility index and oil absorption index were significantly increased compared to the control. Furthermore, the mean scores of sensory evaluation indicated clear improvements in all tested sensory attributes, which significantly increased by increasing the level of O. dillenii seed powder up to 15%. The results confirmed that O. dillenii seed powder could be incorporated in rice to develop snack products of acceptable functional, nutritional and sensory properties.

Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials.

PubMed

Verma, Prakash; Bartlett, Rodney J

2014-05-14

This paper's objective is to create a "consistent" mean-field based Kohn-Sham (KS) density functional theory (DFT) meaning the functional should not only provide good total energy properties, but also the corresponding KS eigenvalues should be accurate approximations to the vertical ionization potentials (VIPs) of the molecule, as the latter condition attests to the viability of the exchange-correlation potential (VXC). None of the prominently used DFT approaches show these properties: the optimized effective potential VXC based ab initio dft does. A local, range-separated hybrid potential cam-QTP-00 is introduced as the basis for a "consistent" KS DFT approach. The computed VIPs as the negative of KS eigenvalue have a mean absolute error of 0.8 eV for an extensive set of molecule's electron ionizations, including the core. Barrier heights, equilibrium geometries, and magnetic properties obtained from the potential are in good agreement with experiment. A similar accuracy with less computational efforts can be achieved by using a non-variational global hybrid variant of the QTP-00 approach.

Stronger Intermolecular Forces or Closer Molecular Spacing? Key Impact Factor Research of Gelator Self-Assembly Mechanism.

PubMed

Chen, Si; An, Zhihang; Tong, Xiaoqian; Chen, Yining; Ma, Meng; Shi, Yanqin; Wang, Xu

2017-12-19

The benzene ring of low-molecular-weight gelators provides strong intermolecular forces but increases molecular spacing during self-assembly. To explore both of the above influences on the gel properties, we synthesize two gelators (Glu-CBZ and Glu-DPA) consisting of the same terminal long side chain but different aliphatic functional groups. The aliphatic functional groups are carbobenzoxy group and diphenyl phosphate group. The self-assembly driving forces, self-organization patterns, network morphologies, rheological properties, and the influences of solvents are researched through 1 H NMR spectra, Fourier transform infrared spectra, field-emission scanning electron microscopy images, rheological characterizations curves, tube-inversion experiment, and calculation of van't Hoff plots. The results show that the carbobenzoxy group of Glu-CBZ makes molecules pack more tightly such that it improves the gel properties during static equilibrium. Whereas the diphenyl phosphate group of Glu-DPA provides stronger intermolecular forces, performing outstandingly during dynamic equilibrium. It is advantageous to further investigate the competitive relationship in gel system between the increased number of functional groups and the consequent steric effect.

Fabrication of High Content Carbon Nanotube-Polyurethane Sheets with Tailorable Properties.

PubMed

Martinez-Rubi, Yadienka; Ashrafi, Behnam; Jakubinek, Michael B; Zou, Shan; Laqua, Kurtis; Barnes, Michael; Simard, Benoit

2017-09-13

We have fabricated carbon nanotube (CNT)-polyurethane (TPU) sheets via a one-step filtration method that uses a TPU solvent/nonsolvent combination. This solution method allows for control of the composition and processing conditions, significantly reducing both the filtration time and the need for large volumes of solvent to debundle the CNTs. Through an appropriate selection of the solvents and tuning the solvent/nonsolvent ratio, it is possible to enhance the interaction between the CNTs and the polymer chains in solution and improve the CNT exfoliation in the nanocomposites. The composition of the nanocomposites, which defines the characteristics of the material and its mechanical properties, can be precisely controlled. The highest improvements in tensile properties were achieved at a CNT:TPU weight ratio around 35:65 with a Young's modulus of 1270 MPa, stress at 50% strain of 35 MPa, and strength of 41 MPa, corresponding to ∼10-fold improvement in modulus and ∼7-fold improvement in stress at 50% strain, while maintaining a high failure strain. At the same composition, CNTs with higher aspect ratio produce nanocomposites with greater improvements (e.g., strength of 99 MPa). Electrical conductivity also shows a maximum near the same composition, where it can exceed the values achieved for the pristine nanotube buckypaper. The trend in mechanical and electrical properties was understood in terms of the CNT-TPU interfacial interactions and morphological changes occurring in the nanocomposite sheets as a function of increasing the TPU content. The availability of such a simple method and the understanding of the structure-property relationships are expected to be broadly applicable in the nanocomposites field.

Functionalization of graphene nanoribbons

NASA Astrophysics Data System (ADS)

Genorio, Bostjan; Znidarsic, Andrej

2014-03-01

Graphene nanoribbon (GNR) is a recently discovered carbon allotrope, which can be described as a stripe of graphene. Pseudo-one-dimensionality exerts additional confinement on the electrons resulting in the formation of a band gap relevant for electronic devices. Due to distinct physical and chemical properties it is a promising material for several applications. To expand the range of potential applications and to improve processability, chemical functionalization of GNRs is required. This review aims to provide a concise and systematic coverage of recent work in chemical functionalization of GNRs. We will focus on longitudinal carbon nanotube unzipping, functionalization with aryl diazonium salts, non-covalent functionalization, bottom-up synthesis and one pot carbon nanotube unzipping with in situ edge functionalization.

Establishing Biomechanical Mechanisms in Mouse Models: Practical Guidelines for Systematically Evaluating Phenotypic Changes in the Diaphyses of Long Bones

PubMed Central

Jepsen, Karl J; Silva, Matthew J; Vashishth, Deepak; Guo, X Edward; van der Meulen, Marjolein CH

2016-01-01

Mice are widely used in studies of skeletal biology, and assessment of their bones by mechanical testing is a critical step when evaluating the functional effects of an experimental perturbation. For example, a gene knockout may target a pathway important in bone formation and result in a “low bone mass” phenotype. But how well does the skeleton bear functional loads; eg, how much do bones deform during loading and how resistant are bones to fracture? By systematic evaluation of bone morphological, densitometric, and mechanical properties, investigators can establish the “biomechanical mechanisms” whereby an experimental perturbation alters whole-bone mechanical function. The goal of this review is to clarify these biomechanical mechanisms and to make recommendations for systematically evaluating phenotypic changes in mouse bones, with a focus on long-bone diaphyses and cortical bone. Further, minimum reportable standards for testing conditions and outcome variables are suggested that will improve the comparison of data across studies. Basic biomechanical principles are reviewed, followed by a description of the cross-sectional morphological properties that best inform the net cellular effects of a given experimental perturbation and are most relevant to biomechanical function. Although morphology is critical, whole-bone mechanical properties can only be determined accurately by a mechanical test. The functional importance of stiffness, maximum load, postyield displacement, and work-to-fracture are reviewed. Because bone and body size are often strongly related, strategies to adjust whole-bone properties for body mass are detailed. Finally, a comprehensive framework is presented using real data, and several examples from the literature are reviewed to illustrate how to synthesize morphological, tissue-level, and whole-bone mechanical properties of mouse long bones. PMID:25917136

Isolation of Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase from Leaves

USDA-ARS?s Scientific Manuscript database

Ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) is a multi-functional enzyme that catalyzes the fixation of CO2 and O2 in photosynthesis and photorespiration, respectively. As the rate-limiting step in photosynthesis, improving the catalytic properties of Rubisco has long been viewed as a...

Innovative Use of Thighplasty to Improve Prosthesis Fit and Function in a Transfemoral Amputee.

PubMed

Kuiken, Todd A; Fey, Nicholas P; Reissman, Timothy; Finucane, Suzanne B; Dumanian, Gregory A

2018-01-01

Excess residual limb fat is a common problem that can impair prosthesis control and negatively impact gait. In the general population, thighplasty and liposuction are commonly performed for cosmetic reasons but not specifically to improve function in amputees. The objective of this study was to determine if these procedures could enhance prosthesis fit and function in an overweight above-knee amputee. We evaluated the use of these techniques on a 50-year-old transfemoral amputee who was overweight. The patient underwent presurgical imaging and tests to measure her residual limb tissue distribution, socket-limb interface stiffness, residual femur orientation, lower-extremity function, and prosthesis satisfaction. A medial thighplasty procedure with circumferential liposuction was performed, during which 2,812 g (6.2 lbs.) of subcutaneous fat and skin was removed from her residual limb. Imaging was repeated 5 months postsurgery; functional assessments were repeated 9 months postsurgery. The patient demonstrated notable improvements in socket fit and in performing most functional and walking tests. Her comfortable walking speed increased 13.3%, and her scores for the Sit-to-Stand and Four Square Step tests improved over 20%. Femur alignment in her socket changed from 8.13 to 4.14 degrees, and analysis showed a marked increase in the socket-limb interface stiffness. This study demonstrates the potential of using a routine plastic surgery procedure to modify the intrinsic properties of the limb and to improve functional outcomes in overweight or obese transfemoral amputees. This technique is a potentially attractive option compared with multiple reiterations of sockets, which can be time-consuming and costly.

Optoelectronics and defect levels in hydroxyapatite by first-principles.

PubMed

Avakyan, Leon A; Paramonova, Ekaterina V; Coutinho, José; Öberg, Sven; Bystrov, Vladimir S; Bugaev, Lusegen A

2018-04-21

Hydroxyapatite (HAp) is an important component of mammal bones and teeth, being widely used in prosthetic implants. Despite the importance of HAp in medicine, several promising applications involving this material (e.g., in photo-catalysis) depend on how well we understand its fundamental properties. Among the ones that are either unknown or not known accurately, we have the electronic band structure and all that relates to it, including the bandgap width. We employ state-of-the-art methodologies, including density hybrid-functional theory and many-body perturbation theory within the dynamically screened single-particle Green's function approximation, to look at the optoelectronic properties of HAp. These methods are also applied to the calculation of defect levels. We find that the use of a mix of (semi-)local and exact exchange in the exchange-correlation functional brings a drastic improvement to the band structure. Important side effects include improvements in the description of dielectric and optical properties not only involving conduction band (excited) states but also the valence. We find that the highly dispersive conduction band bottom of HAp originates from anti-bonding σ* states along the ⋯OH-OH-⋯ infinite chain, suggesting the formation of a conductive 1D-ice phase. The choice of the exchange-correlation treatment to the calculation of defect levels was also investigated by using the OH-vacancy as a testing model. We find that donor and acceptor transitions obtained within semi-local density functional theory (DFT) differ from those of hybrid-DFT by almost 2 eV. Such a large discrepancy emphasizes the importance of using a high-quality description of the electron-electron interactions in the calculation of electronic and optical transitions of defects in HAp.

Optoelectronics and defect levels in hydroxyapatite by first-principles

NASA Astrophysics Data System (ADS)

Avakyan, Leon A.; Paramonova, Ekaterina V.; Coutinho, José; Öberg, Sven; Bystrov, Vladimir S.; Bugaev, Lusegen A.

2018-04-01

Hydroxyapatite (HAp) is an important component of mammal bones and teeth, being widely used in prosthetic implants. Despite the importance of HAp in medicine, several promising applications involving this material (e.g., in photo-catalysis) depend on how well we understand its fundamental properties. Among the ones that are either unknown or not known accurately, we have the electronic band structure and all that relates to it, including the bandgap width. We employ state-of-the-art methodologies, including density hybrid-functional theory and many-body perturbation theory within the dynamically screened single-particle Green's function approximation, to look at the optoelectronic properties of HAp. These methods are also applied to the calculation of defect levels. We find that the use of a mix of (semi-)local and exact exchange in the exchange-correlation functional brings a drastic improvement to the band structure. Important side effects include improvements in the description of dielectric and optical properties not only involving conduction band (excited) states but also the valence. We find that the highly dispersive conduction band bottom of HAp originates from anti-bonding σ* states along the ⋯OH-OH-⋯ infinite chain, suggesting the formation of a conductive 1D-ice phase. The choice of the exchange-correlation treatment to the calculation of defect levels was also investigated by using the OH-vacancy as a testing model. We find that donor and acceptor transitions obtained within semi-local density functional theory (DFT) differ from those of hybrid-DFT by almost 2 eV. Such a large discrepancy emphasizes the importance of using a high-quality description of the electron-electron interactions in the calculation of electronic and optical transitions of defects in HAp.

Ferrocene Containing Copolymers with Improved Electrostatic Dissipation Properties for Advanced Applications

NASA Technical Reports Server (NTRS)

Smith, T. M.; Nelson, G. L.

2005-01-01

Electrostatic dissipative polymers are used for a variety of functions. Typical methods utilized to transform electrically insulating polymers into either charge dissipative or conductive materials involve incorporating a conductive filler, conductive polymer, oxidizing the surface using plasma, or incorporating surfactants that act as surface wetting agents. Another approach is to synthesize a block copolymer that is expected to result in better electrical properties with minimal impacts to physical, fire, and thermal properties. One such block that can be added into the main chain of polymers is a diol terminated ferrocene oligomer, which is expected to impart electrostatic dissipative properties into the host polymer while concurrently improving the overall fire properties. Previous work with polyurethanes incorporating a ferrocene oligomer into the main chain resulted in much improved fire retardancy. In dealing with electrostatic dissipative materials the important questions are: how easily does the material charge and how quickly can the charge move to ground. One normally describes the materials conductivity, but conductivity only measures the fastest path for an electron not the slowest path. The slowest path is the one of interest, since it is left on the surface and thus can cause discharges. In order to assess ease of charging and decay times corona charge dissipation measurements can accurately assess these properties by introducing a charge on the surface of the material then measuring the surface voltage and the amount of charge deposited. The charge decay curve then will give an indication of a materials electrostatic dissipation properties. Normally, triboelectric testing can be performed, but results vary. Corona charge dissipation results are more repeatable.

Emerging applications of nanoparticles: Biomedical and environmental

NASA Astrophysics Data System (ADS)

Gulati, Shivani; Sachdeva, M.; Bhasin, K. K.

2018-05-01

Nanotechnology finds a wide range of applications from energy production to industrial fabrication processes to biomedical applications. Nanoparticles (NPs) can be engineered to possess unique compositions and functionalities to empower novel tools and techniques that have not existed previously in biomedical research. The unique size and shape dependent physicochemical properties along with their unique spectral and optical properties have prompted the development of a wide variety of potential applications in the field of diagnostics and medicines. In the plethora of scientific and technological fields, environmental safety is also a big concern. For this purpose, nanomaterials have been functionalized to cope up the existing pollution, improving manufacturing methods to reduce the generation of new pollution, and making alternative and more cost effective energy sources.

Thermoplastic-based conductive composites containing multi-wall carbon nanotubes aligned under the application of external electric fields

NASA Astrophysics Data System (ADS)

Osazuwa, Osayuki

The objective of this thesis is to prepare thermoplastic/multi-wall carbon nanotubes (MWCNTs) and to apply external alternating current (AC) electric fields to achieve enhanced conductivity and dielectric properties. The first part of the thesis focuses on preparing polyolefin-based composites containing welldispersed MWCNTs. MWCNTs are functionalized with a hyperbranched polyethylene (HBPE) using a non-covalent, non-specific functionalization approach and melt compounded with an ethylene-octene copolymer (EOC) matrix. The improved filler dispersion in the functionalized EOC/MWCNT composite results in higher elongation at break compared to the non-functionalized composite. However, the electrical percolation threshold and the ultimate conductivity of the composites are not affected considerably, suggesting that this functionalization approach leaves the inherent properties of the nanotubes intact. EOC/HBPE-functionalized MWCNT composites are further subjected to external AC electric fields (35 -- 212 kV/m), which induce the formation of aligned columnar structures, as evidenced by Scanning Electron Microscopy. Experimentally acquired resistivity data are used to derive correlations between the characteristic insulator-to-conductor transition times of the composites and the electric field strength (E), polymer viscosity (eta) and MWCNT volume fraction (φ). A criterion for the selection of (eta, E, φ) conditions that enable MWCNT assembly under an electric field controlled regime (minimal Brownian motion-driven aggregation effects) is developed. The dielectric properties of the solidified aligned EOC/MWCNT composites are further studied using dielectric spectroscopy. Annealing of the composites at 160 °C results in the formation of interconnected structures, whereas electrification, using AC field of 71 and 212 kV/m induces the formation of aligned columnar structures. The electrified and annealed composites have increased real and imaginary permittivity compared to the as-compounded composite, resulting in improved conductivity and storage capacity. An equivalent circuit model is fitted to the experimentally obtained impedance data in order to correlate the effects of electric field and processing time to the dielectric characteristics of the treated composites. Finally poly(ethylene succinate) (PESu) composites containing well-dispersed MWCNT were prepared by an in-situ polymerization method. Composite electrification results in improvements in the electrical conductivity by up to 12 orders of magnitude, and a retention of high conductivity in the solidified state.

* Constrained Cage Culture Improves Engineered Cartilage Functional Properties by Enhancing Collagen Network Stability.

PubMed

Nims, Robert J; Cigan, Alexander D; Durney, Krista M; Jones, Brian K; O'Neill, John D; Law, Wing-Sum A; Vunjak-Novakovic, Gordana; Hung, Clark T; Ateshian, Gerard A

2017-08-01

When cultured with sufficient nutrient supply, engineered cartilage synthesizes proteoglycans rapidly, producing an osmotic swelling pressure that destabilizes immature collagen and prevents the development of a robust collagen framework, a hallmark of native cartilage. We hypothesized that mechanically constraining the proteoglycan-induced tissue swelling would enhance construct functional properties through the development of a more stable collagen framework. To test this hypothesis, we developed a novel "cage" growth system to mechanically prevent tissue constructs from swelling while ensuring adequate nutrient supply to the growing construct. The effectiveness of constrained culture was examined by testing constructs embedded within two different scaffolds: agarose and cartilage-derived matrix hydrogel (CDMH). Constructs were seeded with immature bovine chondrocytes and cultured under free swelling (FS) conditions for 14 days with transforming growth factor-β before being placed into a constraining cage for the remainder of culture. Controls were cultured under FS conditions throughout. Agarose constructs cultured in cages did not expand after the day 14 caging while FS constructs expanded to 8 × their day 0 weight after 112 days of culture. In addition to the physical differences in growth, by day 56, caged constructs had higher equilibrium (agarose: 639 ± 179 kPa and CDMH: 608 ± 257 kPa) and dynamic compressive moduli (agarose: 3.4 ± 1.0 MPa and CDMH 2.8 ± 1.0 MPa) than FS constructs (agarose: 193 ± 74 kPa and 1.1 ± 0.5 MPa and CDMH: 317 ± 93 kPa and 1.8 ± 1.0 MPa for equilibrium and dynamic properties, respectively). Interestingly, when normalized to final day wet weight, cage and FS constructs did not exhibit differences in proteoglycan or collagen content. However, caged culture enhanced collagen maturation through the increased formation of pyridinoline crosslinks and improved collagen matrix stability as measured by α-chymotrypsin solubility. These findings demonstrate that physically constrained culture of engineered cartilage constructs improves functional properties through improved collagen network maturity and stability. We anticipate that constrained culture may benefit other reported engineered cartilage systems that exhibit a mismatch in proteoglycan and collagen synthesis.

The High-Density Lipoprotein Puzzle: Why Classic Epidemiology, Genetic Epidemiology, and Clinical Trials Conflict?

PubMed

Rosenson, Robert S

2016-05-01

Classical epidemiology has established the incremental contribution of the high-density lipoprotein (HDL) cholesterol measure in the assessment of atherosclerotic cardiovascular disease risk; yet, genetic epidemiology does not support a causal relationship between HDL cholesterol and the future risk of myocardial infarction. Therapeutic interventions directed toward cholesterol loading of the HDL particle have been based on epidemiological studies that have established HDL cholesterol as a biomarker of atherosclerotic cardiovascular risk. However, therapeutic interventions such as niacin, cholesteryl ester transfer protein inhibitors increase HDL cholesterol in patients treated with statins, but have repeatedly failed to reduce cardiovascular events. Statin therapy interferes with ATP-binding cassette transporter-mediated macrophage cholesterol efflux via miR33 and thus may diminish certain HDL functional properties. Unraveling the HDL puzzle will require continued technical advances in the characterization and quantification of multiple HDL subclasses and their functional properties. Key mechanistic criteria for clinical outcomes trials with HDL-based therapies include formation of HDL subclasses that improve the efficiency of macrophage cholesterol efflux and compositional changes in the proteome and lipidome of the HDL particle that are associated with improved antioxidant and anti-inflammatory properties. These measures require validation in genetic studies and clinical trials of HDL-based therapies on the background of statins. © 2016 American Heart Association, Inc.

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

NASA Astrophysics Data System (ADS)

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

2012-02-01

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

Improved scatterer property estimates from ultrasound backscatter for small gate lengths using a gate-edge correction factor

NASA Astrophysics Data System (ADS)

Oelze, Michael L.; O'Brien, William D.

2004-11-01

Backscattered rf signals used to construct conventional ultrasound B-mode images contain frequency-dependent information that can be examined through the backscattered power spectrum. The backscattered power spectrum is found by taking the magnitude squared of the Fourier transform of a gated time segment corresponding to a region in the scattering volume. When a time segment is gated, the edges of the gated regions change the frequency content of the backscattered power spectrum due to truncating of the waveform. Tapered windows, like the Hanning window, and longer gate lengths reduce the relative contribution of the gate-edge effects. A new gate-edge correction factor was developed that partially accounted for the edge effects. The gate-edge correction factor gave more accurate estimates of scatterer properties at small gate lengths compared to conventional windowing functions. The gate-edge correction factor gave estimates of scatterer properties within 5% of actual values at very small gate lengths (less than 5 spatial pulse lengths) in both simulations and from measurements on glass-bead phantoms. While the gate-edge correction factor gave higher accuracy of estimates at smaller gate lengths, the precision of estimates was not improved at small gate lengths over conventional windowing functions. .

An improved analytic function for predicting light fluence rate in circular fields on a semi-infinite geometry

NASA Astrophysics Data System (ADS)

Zhu, Timothy C.; Lu, Amy; Ong, Yi-Hong

2016-03-01

Accurate determination of in-vivo light fluence rate is critical for preclinical and clinical studies involving photodynamic therapy (PDT). This study compares the longitudinal light fluence distribution inside biological tissue in the central axis of a 1 cm diameter circular uniform light field for a range of in-vivo tissue optical properties (absorption coefficients (μa) between 0.01 and 1 cm-1 and reduced scattering coefficients (μs') between 2 and 40 cm-1). This was done using Monte-Carlo simulations for a semi-infinite turbid medium in an air-tissue interface. The end goal is to develop an analytical expression that would fit the results from the Monte Carlo simulation for both the 1 cm diameter circular beam and the broad beam. Each of these parameters is expressed as a function of tissue optical properties. These results can then be compared against the existing expressions in the literature for broad beam for analysis in both accuracy and applicable range. Using the 6-parameter model, the range and accuracy for light transport through biological tissue is improved and may be used in the future as a guide in PDT for light fluence distribution for known tissue optical properties.

Pore channel surface modification for enhancing anti-fouling membrane distillation

NASA Astrophysics Data System (ADS)

Qiu, Haoran; Peng, Yuelian; Ge, Lei; Villacorta Hernandez, Byron; Zhu, Zhonghua

2018-06-01

Membrane surface modification by forming a functional layer is an effective way to improve the anti-fouling properties of membranes; however, the additional layer and the potential blockage of bulk pores may increase the mass transfer resistance and reduce the permeability. In this study, we applied a novel method of preparing anti-fouling membranes for membrane distillation by dispersing graphene oxide (GO) on the channel surface of polyvinylidene fluoride membranes. The surface morphology and properties were characterized by scanning electron microscopy, atomic force microscope, and Fourier transform infrared spectrometry. Compared to the membrane surface modification by nanoparticles (e.g. SiO2), GO was mainly located on the pore surface of the membrane bulk, rather than being formed as an individual layer onto the membrane surface. The performance was evaluated via a direct-contact membrane distillation process with anionic and cationic surfactants as the foulants, separately. Compared to the pristine PVDF membrane, the anti-fouling behavior and distillate flux of the GO-modified membranes were improved, especially when using the anionic surfactant as the foulant. The enhanced anti-fouling performance can be attributed to the oxygen containing functional groups in GO and the healing of the membrane pore defects. This method may provide an effective route to manipulate membrane pore surface properties for anti-fouling separation without increasing mass transfer resistance.

Multilayer composition coatings for cutting tools: formation and performance properties

NASA Astrophysics Data System (ADS)

Tabakov, Vladimir P.; Vereschaka, Anatoly S.; Vereschaka, Alexey A.

2018-03-01

The paper considers the concept of a multi-layer architecture of the coating in which each layer has a predetermined functionality. Latest generation of coatings with multi-layered architecture for cutting tools secure a dual nature of the coating, in which coatings should not only improve the mechanical and physical characteristics of the cutting tool material, but also reduce the thermo-mechanical effect on the cutting tool determining wear intensity. Here are presented the results of the development of combined methods of forming multi-layer coatings with improved properties. Combined method of forming coatings using a pulsed laser allowed reducing excessively high levels of compressive residual stress and increasing micro hardness of the multilayered coatings. The results in testing coated HSS tools showed that the use of additional pulse of laser processing increases tool life up to 3 times. Using filtered cathodic vacuum arc deposition for the generation of multilayer coatings based on TiAlN compound has increased the wear-resistance of carbide tools by 2 fold compared with tool life of cutting tool with commercial TiN coatings. The aim of this study was to develop an innovative methodological approach to the deposition of multilayer coatings for cutting tools with functional architectural selection, properties and parameters of the coating based on sound knowledge of coating failure in machining process.

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

PubMed

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

2012-02-08

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

Effect of irradiation on the prevulcanized latex/low nitrosamines latex blends

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

Ibrahim, Pairu; Zin, Wan Manshol Wan; Daik, Rusli

2015-09-25

Radiation Prevulcanized Natural Rubber Latex (RVNRL) was blended with Low Nitrosamines Latex (LNL) at different composition ratio. Methyl Metachrylate (MMA) was added for grafting onto the blended latex. Blended latex was subjected to gamma irradiation at various doses up to 8kGy. The mechanical properties and FTIR analysis were investigated as a function of the blended composition and irradiation dose. It was found that blending at specific ratio and gamma irradiation at specific dose led to significant improvement on the properties of the latex. The optimum mechanical properties was attained at a total blending ratio of 70% RVNRL and 30% ofmore » LNL.« less

Thermal and mechanical analysis of PVA / sulfonated carbon nanotubes composite

NASA Astrophysics Data System (ADS)

Yadav, Vikrant; Sharma, Prem P.; Rajput, Abhishek; Kulshrestha, Vaibhav

2018-04-01

Nanocomposites of polyvinyl alcohol (PVA) and sulfonated carbon nanotubes (s-CNT) with enhanced properties were synthesized successfully. Effect of different amount of sulfonated nanotubes on thermal and mechanical properties of resultant nanocomposites derived from s-CNT and PVA were studied. Structural analysis for functionalization of CNT was done by using FTIR spectra. Thermal and mechanical analysis were done by using TGA, DSC and UTM. Nanocomposite containing s-CNT shows higher elastic moduli, higher melting temperature in consort with lower weight loss at same temperature, compared with pristine PVA. The novelty of this work is to use PVA/s-CNT based composites with improved thermomechanical properties in different nanotechnologies.

Using Copper to Improve the Well-Being of the Skin

PubMed Central

Borkow, Gadi

2014-01-01

Copper has two key properties that are being exploited in consumer and medical device products in the last decade. On the one hand, copper has potent biocidal properties. On the other hand, copper is involved in numerous physiological and metabolic processes critical for the appropriate functioning of almost all tissues in the human body. In the skin, copper is involved in the synthesis and stabilization of extracellular matrix skin proteins and angiogenesis. This manuscript reviews clinical studies that show that the use of textile consumer and medical device products, embedded with microscopic copper oxide particles, improve the well-being of the skin. These include studies showing a) cure of athlete’s foot infections and improvement in skin elasticity, especially important for individuals suffering from diabetes; b) reduction of facial fine line and wrinkles; and c) enhancement of wound healing; by copper oxide embedded socks, pillowcases and wound dressings, respectively. The manuscript also reviews and discusses the mechanisms by which the presence of copper in these products improves skin well-being. PMID:26361585

Optimization of a novel improver gel formulation for Barbari flat bread using response surface methodology.

PubMed

Pourfarzad, Amir; Haddad Khodaparast, Mohammad Hossein; Karimi, Mehdi; Mortazavi, Seyed Ali

2014-10-01

Nowadays, the use of bread improvers has become an essential part of improving the production methods and quality of bakery products. In the present study, the Response Surface Methodology (RSM) was used to determine the optimum improver gel formulation which gave the best quality, shelf life, sensory and image properties for Barbari flat bread. Sodium stearoyl-2-lactylate (SSL), diacetyl tartaric acid esters of monoglyceride (DATEM) and propylene glycol (PG) were constituents of the gel and considered in this study. A second-order polynomial model was fitted to each response and the regression coefficients were determined using least square method. The optimum gel formulation was found to be 0.49 % of SSL, 0.36 % of DATEM and 0.5 % of PG when desirability function method was applied. There was a good agreement between the experimental data and their predicted counterparts. Results showed that the RSM, image processing and texture analysis are useful tools to investigate, approximate and predict a large number of bread properties.

Biochemical Engineering Approaches for Increasing Viability and Functionality of Probiotic Bacteria

PubMed Central

Nguyen, Huu-Thanh; Truong, Dieu-Hien; Kouhoundé, Sonagnon; Ly, Sokny; Razafindralambo, Hary; Delvigne, Frank

2016-01-01

The literature presents a growing body of evidence demonstrating the positive effect of probiotics on health. Probiotic consumption levels are rising quickly in the world despite the fluctuation of their viability and functionality. Technological methods aiming at improving probiotic characteristics are thus highly wanted. However, microbial metabolic engineering toolbox is not available for this kind of application. On the other hand, basic microbiology teaches us that bacteria are able to exhibit adaptation to external stresses. It is known that adequately applied sub-lethal stress, i.e., controlled in amplitude and frequency at a given stage of the culture, is able to enhance microbial robustness. This property could be potentially used to improve the viability of probiotic bacteria, but some technical challenges still need to be overcome before any industrial implementation. This review paper investigates the different technical tools that can be used in order to define the proper condition for improving viability of probiotic bacteria and their implementation at the industrial scale. Based on the example of Bifidobacterium bifidum, potentialities for simultaneously improving viability, but also functionality of probiotics will be described. PMID:27271598

Improved real-time dynamics from imaginary frequency lattice simulations

NASA Astrophysics Data System (ADS)

Pawlowski, Jan M.; Rothkopf, Alexander

2018-03-01

The computation of real-time properties, such as transport coefficients or bound state spectra of strongly interacting quantum fields in thermal equilibrium is a pressing matter. Since the sign problem prevents a direct evaluation of these quantities, lattice data needs to be analytically continued from the Euclidean domain of the simulation to Minkowski time, in general an ill-posed inverse problem. Here we report on a novel approach to improve the determination of real-time information in the form of spectral functions by setting up a simulation prescription in imaginary frequencies. By carefully distinguishing between initial conditions and quantum dynamics one obtains access to correlation functions also outside the conventional Matsubara frequencies. In particular the range between ω0 and ω1 = 2πT, which is most relevant for the inverse problem may be more highly resolved. In combination with the fact that in imaginary frequencies the kernel of the inverse problem is not an exponential but only a rational function we observe significant improvements in the reconstruction of spectral functions, demonstrated in a simple 0+1 dimensional scalar field theory toy model.

Analysis of Online Composite Mirror Descent Algorithm.

PubMed

Lei, Yunwen; Zhou, Ding-Xuan

2017-03-01

We study the convergence of the online composite mirror descent algorithm, which involves a mirror map to reflect the geometry of the data and a convex objective function consisting of a loss and a regularizer possibly inducing sparsity. Our error analysis provides convergence rates in terms of properties of the strongly convex differentiable mirror map and the objective function. For a class of objective functions with Hölder continuous gradients, the convergence rates of the excess (regularized) risk under polynomially decaying step sizes have the order [Formula: see text] after [Formula: see text] iterates. Our results improve the existing error analysis for the online composite mirror descent algorithm by avoiding averaging and removing boundedness assumptions, and they sharpen the existing convergence rates of the last iterate for online gradient descent without any boundedness assumptions. Our methodology mainly depends on a novel error decomposition in terms of an excess Bregman distance, refined analysis of self-bounding properties of the objective function, and the resulting one-step progress bounds.

Green synthesis of AuNPs for eco-friendly functionalization of cellulosic substrates

NASA Astrophysics Data System (ADS)

Ibrahim, Nabil A.; Eid, Basma M.; Abdel-Aziz, Mohamed S.

2016-12-01

In this research work, extracellular biosynthesis of gold nanoparticles (AuNPs) using marine bacterial isolates (Streptomyces sp.) as a reducing/capping/stabilizing bio-agent and chlolauric acid (HAuCl4) as a precursor has been investigated. Surface modification of cotton and viscose knitted fabrics using O2-plasma followed by subsequent treatment with bio-synthesized AuNPs alone and in combination with TiO2NPs or ZnONPs to impart new functional properties namely antibacterial and UV-blocking were studied. The results show that loading of nominated nanomaterials onto the activated fabric samples results in a significant improvement in antibacterial activity against both G+ve (S. aureus) and G-ve (E. coli) along with a remarkable enhancement in the UV-protection functionality of the treated fabrics. The highest antibacterial and anti-UV values were obtained when O2-plasma treated fabrics were loaded with AuNPs/ZnONPs combination, irrespective of the used substrate. The imparted functional properties demonstrated remarkable retention even after 15 washings.

Cellular therapy in bone-tendon interface regeneration

PubMed Central

Rothrauff, Benjamin B; Tuan, Rocky S

2014-01-01

The intrasynovial bone-tendon interface is a gradual transition from soft tissue to bone, with two intervening zones of uncalcified and calcified fibrocartilage. Following injury, the native anatomy is not restored, resulting in inferior mechanical properties and an increased risk of re-injury. Recent in vivo studies provide evidence of improved healing when surgical repair of the bone-tendon interface is augmented with cells capable of undergoing chondrogenesis. In particular, cellular therapy in bone-tendon healing can promote fibrocartilage formation and associated improvements in mechanical properties. Despite these promising results in animal models, cellular therapy in human patients remains largely unexplored. This review highlights the development and structure-function relationship of normal bone-tendon insertions. The natural healing response to injury is discussed, with subsequent review of recent research on cellular approaches for improved healing. Finally, opportunities for translating in vivo findings into clinical practice are identified. PMID:24326955

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

Berdova, Maria; Liu, Xuwen; Franssila, Sami, E-mail: sami.franssila@aalto.fi

The investigation of mechanical properties of atomic layer deposition HfO{sub 2} films is important for implementing these layers in microdevices. The mechanical properties of films change as a function of composition and structure, which accordingly vary with deposition temperature and post-annealing. This work describes elastic modulus, hardness, and wear resistance of as-grown and annealed HfO{sub 2}. From nanoindentation measurements, the elastic modulus and hardness remained relatively stable in the range of 163–165 GPa and 8.3–9.7 GPa as a function of deposition temperature. The annealing of HfO{sub 2} caused significant increase in hardness up to 14.4 GPa due to film crystallization and densification. Themore » structural change also caused increase in the elastic modulus up to 197 GPa. Wear resistance did not change as a function of deposition temperature, but improved upon annealing.« less

Impact of bimetal electrodes on dielectric properties of TiO2 and Al-doped TiO2 films.

PubMed

Kim, Seong Keun; Han, Sora; Jeon, Woojin; Yoon, Jung Ho; Han, Jeong Hwan; Lee, Woongkyu; Hwang, Cheol Seong

2012-09-26

Rutile structured Al-doped TiO(2) (ATO) and TiO(2) films were grown on bimetal electrodes (thin Ru/thick TiN, Pt, and Ir) for high-performance capacitors. The work function of the top Ru layer decreased on TiN and increased on Pt and Ir when it was thinner than ~2 nm, suggesting that the lower metal within the electrodes influences the work function of the very thin Ru layer. The use of the lower electrode with a high work function for bottom electrode eventually improves the leakage current properties of the capacitor at a very thin Ru top layer (≤2 nm) because of the increased Schottky barrier height at the interface between the dielectric and the bottom electrode. The thin Ru layer was necessary to achieve the rutile structured ATO and TiO(2) dielectric films.

τ hadronic spectral function moments in a nonpower QCD perturbation theory

NASA Astrophysics Data System (ADS)

Abbas, Gauhar; Ananthanarayan, B.; Caprini, I.; Fischer, J.

2016-04-01

The moments of the hadronic spectral functions are of interest for the extraction of the strong coupling and other QCD parameters from the hadronic decays of the τ lepton. We consider the perturbative behavior of these moments in the framework of a QCD nonpower perturbation theory, defined by the technique of series acceleration by conformal mappings, which simultaneously implements renormalization-group summation and has a tame large-order behavior. Two recently proposed models of the Adler function are employed to generate the higher order coefficients of the perturbation series and to predict the exact values of the moments, required for testing the properties of the perturbative expansions. We show that the contour-improved nonpower perturbation theories and the renormalization-group-summed nonpower perturbation theories have very good convergence properties for a large class of moments of the so-called ;reference model;, including moments that are poorly described by the standard expansions.

Validating density-functional theory simulations at high energy-density conditions with liquid krypton shock experiments to 850 GPa on Sandia's Z machine

DOE PAGES

Mattsson, Thomas R.; Root, Seth; Mattsson, Ann E.; ...

2014-11-11

We use Sandia's Z machine and magnetically accelerated flyer plates to shock compress liquid krypton to 850 GPa and compare with results from density-functional theory (DFT) based simulations using the AM05 functional. We also employ quantum Monte Carlo calculations to motivate the choice of AM05. We conclude that the DFT results are sensitive to the quality of the pseudopotential in terms of scattering properties at high energy/temperature. A new Kr projector augmented wave potential was constructed with improved scattering properties which resulted in excellent agreement with the experimental results to 850 GPa and temperatures above 10 eV (110 kK). Inmore » conclusion, we present comparisons of our data from the Z experiments and DFT calculations to current equation of state models of krypton to determine the best model for high energy-density applications.« less

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.

Properties of low-fat, low-cholesterol egg yolk prepared by supercritical CO2 extraction.

PubMed

Bringe, N A

1997-01-01

A dry egg yolk ingredient called Eggcellent has 74% less fat and 90% less cholesterol than liquid egg yolks, when reconstituted on an equal protein basis. The phospholipids and proteins are retained, enabling the ingredient to have the taste and texturizing properties of fresh egg yolk. Using the new yolk, it is possible to significantly improve the acceptability of low-fat, low-cholesterol bakery products, scrambled eggs and mayonnaise dressings without losing nutritional claims. The structures and functional properties of egg yolk components and the conditions required to optimize their benefits in foods are reviewed. The lipoproteins of low-fat, low-cholesterol yolk have valuable properties as flavorants, texturizers, foaming agents, emulsifiers, antioxidants, colorants, and nutraceuticals.

Linear relationship between increasing amounts of extruded linseed in dairy cow diet and milk fatty acid composition and butter properties.

PubMed

Hurtaud, C; Faucon, F; Couvreur, S; Peyraud, J-L

2010-04-01

The aim of this experiment was to compare the effects of increasing amounts of extruded linseed in dairy cow diet on milk fat yield, milk fatty acid (FA) composition, milk fat globule size, and butter properties. Thirty-six Prim'Holstein cows at 104 d in milk were sorted into 3 groups by milk production and milk fat globule size. Three diets were assigned: a total mixed ration (control) consisting of corn silage (70%) and concentrate (30%), or a supplemented ration based on the control ration but where part of the concentrate energy was replaced on a dry matter basis by 2.1% (LIN1) or 4.3% (LIN2) extruded linseed. The increased amounts of extruded linseed linearly decreased milk fat content and milk fat globule size and linearly increased the percentage of milk unsaturated FA, specifically alpha-linolenic acid and trans FA. Extruded linseed had no significant effect on butter color or on the sensory properties of butters, with only butter texture in the mouth improved. The LIN2 treatment induced a net improvement of milk nutritional properties but also created problems with transforming the cream into butter. The butters obtained were highly spreadable and melt-in-the-mouth, with no pronounced deficiency in taste. The LIN1 treatment appeared to offer a good tradeoff of improved milk FA profile and little effect on butter-making while still offering butters with improved functional properties. Copyright (c) 2010 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

An Angular Method with Position Control for Block Mesh Squareness Improvement

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

Yao, J.; Stillman, D.

We optimize a target function de ned by angular properties with a position control term for a basic stencil with a block-structured mesh, to improve element squareness in 2D and 3D. Comparison with the condition number method shows that besides a similar mesh quality regarding orthogonality can be achieved as the former does, the new method converges faster and provides a more uniform global mesh spacing in our numerical tests.

Muscle-derived Decellularised Extracellular Matrix Improves Functional Recovery in a Rat Latissimus Dorsi Muscle Defect Model

DTIC Science & Technology

2013-12-01

battlefield wounds, often involving volumetric muscle loss (VML). The physical loss of muscle results in functional deficits and cosmetic ...repair with M-ECM and 3) sham (all procedures except muscle excision). Four and 8 weeks post- surgery , the isometric contractile properties of the LD... Surgery (2013) 66, 1750e1758 Report Documentation Page Form ApprovedOMB No. 0704-0188 Public reporting burden for the collection of information is

Molecular and supramolecular control of the work function of an inorganic electrode with self-assembled monolayer of umbrella-shaped fullerene derivatives.

PubMed

Lacher, Sebastian; Matsuo, Yutaka; Nakamura, Eiichi

2011-10-26

The surface properties of inorganic substrates can be altered by coating with organic molecules, which may result in the improvement of the properties suitable for electronic or biological applications. This article reports a systematic experimental study on the influence of the molecular and supramolecular properties of umbrella-shaped penta(organo)[60]fullerene derivatives, and on the work function and the water contact angle of indium-tin oxide (ITO) and gold surfaces. We could relate these macroscopic characteristics to single-molecular level properties, such as ionization potential and molecular dipole. The results led us to conclude that the formation of a SAM of a polar compound generates an electronic field through intermolecular interaction of the molecular charges, and this field makes the overall dipole of the SAM much smaller than the one expected from the simple sum of the dipoles of all molecules in the SAM. This effect, which was called depolarization and previously discussed theoretically, is now quantitatively probed by experiments. The important physical properties in surface science such as work function, ionization potential, and water contact angles have been mutually correlated at the level of molecular structures and molecular orientations on the substrate surface. We also found that the SAMs on ITO and gold operate under the same principle except that the "push-back" effect operates specifically for gold. The study also illustrates the ability of the photoelectron yield spectroscopy technique to rapidly measure the work function of a SAM-covered substrate and the ionization potential value of a molecule on the surface.

Tissue-engineered matrices as functional delivery systems: adsorption and release of bioactive proteins from degradable composite scaffolds.

PubMed

Cushnie, Emily K; Khan, Yusuf M; Laurencin, Cato T

2010-08-01

A tissue-engineered bone graft should imitate the ideal autograft in both form and function. However, biomaterials that have appropriate chemical and mechanical properties for grafting applications often lack biological components that may enhance regeneration. The concept of adding proteins such as growth factors to scaffolds has therefore emerged as a possible solution to improve overall graft design. In this study, we investigated this concept by loading porous hydroxyapatite-poly(lactide-co-glycolide) (HA-PLAGA) scaffolds with a model protein, cytochrome c, and then studying its release in a phosphate-buffered saline solution. The HA-PLAGA scaffold has previously been shown to be bioactive, osteoconductive, and to have appropriate physical properties for tissue engineering applications. The loading experiments demonstrated that the HA-PLAGA scaffold could also function effectively as a substrate for protein adsorption and release. Scaffold protein adsorptive loading (as opposed to physical entrapment within the matrix) was directly related to levels of scaffold HA-content. The HA phase of the scaffold facilitated protein retention in the matrix following incubation in aqueous buffer for periods up to 8 weeks. Greater levels of protein retention time may improve the protein's effective activity by increasing the probability for protein-cell interactions. The ability to control protein loading and delivery simply via composition of the HA-PLAGA scaffold offers the potential of forming robust functionalized bone grafts. (c) 2010 Wiley Periodicals, Inc.

Accurate Energies and Orbital Description in Semi-Local Kohn-Sham DFT

NASA Astrophysics Data System (ADS)

Lindmaa, Alexander; Kuemmel, Stephan; Armiento, Rickard

2015-03-01

We present our progress on a scheme in semi-local Kohn-Sham density-functional theory (KS-DFT) for improving the orbital description while still retaining the level of accuracy of the usual semi-local exchange-correlation (xc) functionals. DFT is a widely used tool for first-principles calculations of properties of materials. A given task normally requires a balance of accuracy and computational cost, which is well achieved with semi-local DFT. However, commonly used semi-local xc functionals have important shortcomings which often can be attributed to features of the corresponding xc potential. One shortcoming is an overly delocalized representation of localized orbitals. Recently a semi-local GGA-type xc functional was constructed to address these issues, however, it has the trade-off of lower accuracy of the total energy. We discuss the source of this error in terms of a surplus energy contribution in the functional that needs to be accounted for, and offer a remedy for this issue which formally stays within KS-DFT, and, which does not harshly increase the computational effort. The end result is a scheme that combines accurate total energies (e.g., relaxed geometries) with an improved orbital description (e.g., improved band structure).

Who or What? Self-Replication and Function-Reproduction in the Origin of Life

NASA Technical Reports Server (NTRS)

New, Michael H.; Stassinopoulos, Dimitris; Monaco, Regina; Pohorille, Andrew; DeVincenzi, Donald (Technical Monitor)

2002-01-01

In this presentation, we will present results on the fundamental properties of two classes of replicating systems: autocatalytic replicators that reproduce exact copies of a template molecule, and function reproducers that maintain a set of essential functions without replicating the identities of the functional moieties. We will describe the stability and behavior in-the-large of autocatalytic replicators. Most importantly, we have found no sharp distinction between an autocatalytic and a non-autocatalytic domain. We will also present a new derivation of von Kiedrowski's square-root rate law. Function - reproducers are proposed as an important component of protocells and we will present theoretical results on a simple model system that incorporates known peptide biophysics. For a wide range of parameters, we have shown that this type of system can improve its overall performance, even in the absence of any method for information storage. This type of system improvement is defined to be non-genomic evolution.

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

Song, Jong-Won; Hirao, Kimihiko, E-mail: hirao@riken.jp

Since the advent of hybrid functional in 1993, it has become a main quantum chemical tool for the calculation of energies and properties of molecular systems. Following the introduction of long-range corrected hybrid scheme for density functional theory a decade later, the applicability of the hybrid functional has been further amplified due to the resulting increased performance on orbital energy, excitation energy, non-linear optical property, barrier height, and so on. Nevertheless, the high cost associated with the evaluation of Hartree-Fock (HF) exchange integrals remains a bottleneck for the broader and more active applications of hybrid functionals to large molecular andmore » periodic systems. Here, we propose a very simple yet efficient method for the computation of long-range corrected hybrid scheme. It uses a modified two-Gaussian attenuating operator instead of the error function for the long-range HF exchange integral. As a result, the two-Gaussian HF operator, which mimics the shape of the error function operator, reduces computational time dramatically (e.g., about 14 times acceleration in C diamond calculation using periodic boundary condition) and enables lower scaling with system size, while maintaining the improved features of the long-range corrected density functional theory.« less

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

PubMed Central

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

2013-01-01

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

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

PubMed

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

2012-11-01

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

Amino acid-functionalized multi-walled carbon nanotubes for improving compatibility with chiral poly(amide-ester-imide) containing L-phenylalanine and L-tyrosine linkages

NASA Astrophysics Data System (ADS)

Abdolmaleki, Amir; Mallakpour, Shadpour; Borandeh, Sedigheh

2013-12-01

Amino acid functionalized multi-walled carbon nanotubes (f-MWCNTs)/poly(amide-ester-imide) (PAEI) composites were fabricated by solution mixing method. Proper functionalization and mixing strategy of MWCNTs provides the best opportunity for better distribution and bonding of nanoparticles to the polymer matrix. MWCNTs have been chemically modified with L-phenylalanine to improve their compatibility with L-phenylalanine based PAEI. Field emission scanning electron microscopy micrographs of composite revealed that f-MWCNTs made a good interaction with polymer chains by wrapping the polymer around them, and transmission electron microscopy results confirmed well dispersion with nano size of f-MWCNTs in the polymer matrix. In addition, thermal analysis showed good enhancement in thermal properties of composites compared to pure polymer. Thermal stability of the composites containing f-MWCNTs was enhanced due to their good dispersion and improved interfacial interaction between the amino acid based PAEI matrix and f-MWCNTs.

An Experimental Investigation towards Improvement of Thermoelectric Properties of Strontium Titanate Ceramics

NASA Astrophysics Data System (ADS)

Mehdizadeh Dehkordi, Arash

The direct energy conversion between heat and electricity based on thermoelectric effects is a topic of long-standing interest in condensed matter materials science. Experimental and theoretical investigations in order to understand the mechanisms involved and to improve the materials properties and conversion efficiency have been ongoing for more than half a century. While significant achievements have been accomplished in improving the properties of conventional heavy element based materials (such as Bi2Te 3 and PbTe) as well as the discovery of new materials systems for the close-to-room temperature and intermediate temperatures, high-temperature applications of thermoelectrics is still limited to one materials system, namely SiGe. Recently, oxides have exhibited great potential to be investigated for high-temperature thermoelectric power generation. The objective of this dissertation is to synthesize and investigate both electronic and thermal transport in strontium titanate (SrTiO3) ceramics in order to experimentally realize its potential and to ultimately investigate the possibility of further improvement of the thermoelectric performance of this perovskite oxide for mid- to high temperature applications. Developing a synthesis strategy and tuning various synthesis parameters to benefit the thermoelectric transport form the foundation of this study. It is worth mentioning that the results of this study has been employed to prepare targets for pulsed-laser deposition (PLD) to study the thermoelectric properties of corresponding thin films and superlattice structures at Dr. Husam Alshareef's group at King Abdullah University of Science and Technology (KAUST), Saudi Arabia. Considering the broad range of functionality of SrTiO3, the findings of this work will surely benefit other fields of research and application of this functional oxide such as photoluminescence, ferroelectricity or mixed-ionic electronic conductivity. This dissertation will ultimately attempt to answer the question, "Is it possible to further improve the thermoelectric properties of SrTiO 3-based ceramics?". The organization of the dissertation is as follows: In Chapter 1, the fundamental concepts in the thermoelectric theory is explained. Second, we briefly review the characteristics of "good" thermoelectric materials and highlight the differences exist between SrTiO3 and conventional thermoelectric materials. In Chapter 2, SrTiO3 is introduced and the electronic and thermal properties arising from its crystal structure are discussed. Chapter 3 is dedicated to the fundamentals of measurements of the electronic and thermal transport properties which are the backbone of the current work. Our experimental results are presented in Chapter 4 and 5. The synthesis and processing techniques to prepare doped SrTiO3 powder and bulk polycrystalline ceramic are presented in Chapter 3. The optimizations of the synthesis and densification parameters involved are presented and discussed in this chapter as well. Significant improvement achieved in the thermoelectric figure of merit of Pr-doped SrTiO3 and the studies performed to understand the results are presented in Chapter 5. Concluding remarks and future work are discussed in Chapter 6.

Functional graded fullerene derivatives for improving the fill factor and device stability of inverted-type perovskite solar cells.

PubMed

Chiu, Kuo Yuan; Chang, Sheng Hsiung; Huang, Wei-Chen; Cheng, Hsin-Ming; Shaw, Hsin; Yeh, Shih-Chieh; Chen, Chin-Ti; Su, Yuhlong Oliver; Chen, Sheng-Hui; Wu, Chun-Guey

2018-07-27

A graded fullerene derivative thin film was used as a dual-functional electron transport layer (ETL) in CH 3 NH 3 PbI 3 (MAPbI 3 ) solar cells, to improve the fill factor (FF) and device stability. The graded ETL was made by mixing phenyl-C 61 -butyric acid methyl ester (PCBM) molecules and C 60 -diphenylmethanofullerene-oligoether (C 60 -DPM-OE) molecules using the spin-coating method. The formation of the graded ETLs can be due to the phase separation between hydrophobic PCBM and hydrophilic C 60 -DPM-OE, which was confirmed by XPS depth-profile analysis and an electron energy-loss spectroscope. Comprehensive studies were carried out to explore the characteristics of the graded ETLs in MAPbI 3 solar cells, including the surface properties, electronic energy levels, molecular packing properties and energy transfer dynamics. The elimination of the s-shape in the current density-voltage curves results in an increase in the FF, which originates from the smooth contact between the C 60 -DPM-OE and hydrophilic MAPbI 3 and the formation of the more ordered ETL. There was an improvement in device stability mainly due to the decrease in the photothermal induced morphology change of the graded ETLs fabricated from two fullerene derivatives with distinct hydrophilicity. Consequently, such a graded ETL provides dual-functional capabilities for the realization of stable high-performance MAPbI 3 solar cells.