The effect of changes in surface wettability on two-phase saturated flow in horizontal replicas of single natural fractures.

PubMed

Bergslien, Elisa; Fountain, John

2006-12-15

By using translucent epoxy replicas of natural single fractures, it is possible to optically measure aperture distribution and directly observe NAPL flow. However, detailed characterization of epoxy reveals that it is not a sufficiently good analogue to natural rock for many two-phase flow studies. The surface properties of epoxy, which is hydrophobic, are quite unlike those of natural rock, which is generally assumed to be hydrophilic. Different surface wettabilities result in dramatically different two-phase flow behavior and residual distributions. In hydrophobic replicas, the NAPL flows in well-developed channels, displacing water and filling all of the pore space. In hydrophilic replicas, the invading NAPL is confined to the largest aperture pathways and flow frequently occurs in pulses, with no limited or no stable channel development, resulting in isolated blobs with limited accessible surface area. The pulsing and channel abandonment behaviors described are significantly different from the piston-flow frequently assumed in current modeling practice. In addition, NAPL never achieved total saturation in hydrophilic models, indicating that significantly more than a monolayer of water was bound to the model surface. Despite typically only 60-80% NAPL saturation, there was generally good agreement between theoretically calculated Young-Laplace aperture invasion boundaries and the observed minimum apertures invaded. The key to determining whether surface wettability is negligible, or not, lies in accurate characterization of the contaminant-geologic media system under study. As long as the triple-point contact angle of the system is low (<20 degrees), the assumption of perfect water wettability is not a bad one.

Effect of two in-office whitening agents on the enamel surface in vivo: a morphological and non-contact profilometric study.

PubMed

Cadenaro, Milena; Breschi, Lorenzo; Nucci, Cesare; Antoniolli, Francesca; Visintini, Erika; Prati, Carlo; Matis, Bruce A; Di Lenarda, Roberto

2008-01-01

This study evaluated the morphological effects produced in vivo by two in-office bleaching agents on enamel surface roughness using a noncontact profilometric analysis of epoxy replicas. The null hypothesis tested was that there would be no difference in the micromorphology of the enamel surface during or after bleaching with two different bleaching agents. Eighteen subjects were selected and randomly assigned to two treatment groups (n=9). The tooth whitening materials tested were 38% hydrogen peroxide (HP) (Opalescence Xtra Boost) and 35% carbamide peroxide (CP) (Rembrandt Quik Start). The bleaching agents were applied in accordance with manufacturer protocols. The treatments were repeated four times at one-week intervals. High precision impressions of the upper right incisor were taken at baseline as the control (CTRL) and after each bleaching treatment (T0: first application, T1: second application at one week, T2: third application at two weeks and T3: fourth application at three weeks). Epoxy resin replicas were poured from impressions, and the surface roughness was analyzed by means of a non-contact profilometer (Talysurf CLI 1000). Epoxy replicas were then observed using SEM. All data were statistically analyzed using ANOVA and differences were determined with a t-test. No significant differences in surface roughness were found on enamel replicas using either 38% hydrogen peroxide or 35% carbamide peroxide in vivo. This in vivo study supports the null hypothesis that two in-office bleaching agents, with either a high concentration of hydrogen or carbamide peroxide, do not alter enamel surface roughness, even after multiple applications.

Light and transmission electron microscopy of the intact interfaces between non-submerged titanium-coated epoxy resin implants and bone or gingiva.

PubMed

Listgarten, M A; Buser, D; Steinemann, S G; Donath, K; Lang, N P; Weber, H P

1992-02-01

This experiment was aimed at studying the intact tissue/implant interface of non-submerged dental implants with a titanium surface. Epoxy-resin replicas were fabricated from 3.05 x 8 mm cylindrical titanium implants with a plasma-sprayed apical portion and a smooth coronal collar. The replicas were coated with a 90-120-nm-thick layer of pure titanium and autoclaved. The coated replicas were inserted as non-submerged endosseous implants in the edentulous premolar region of dog mandibles and allowed to heal for three months. Jaw sections containing the implants were processed for light and electron microscopic study of the intact tissue/implant interface with and without prior demineralization. Gingival connective tissue fibers were closely adapted to the titanium layer, in an orientation more or less parallel to the implant surface. There was no evidence of any fiber insertions into the surface irregularities of the smooth or rough titanium surface. Undemineralized bone was intimately adapted to the titanium surface without any intervening space. In demineralized sections, the collagen fibers of the bone matrix tended to be somewhat thinner and occasionally less densely packed in the vicinity of the implant surface. However, they extended all the way to the titanium surface, without any intervening fibril-free layer.

New approach to accuracy verification of 3D surface models: An analysis of point cloud coordinates.

PubMed

Lee, Wan-Sun; Park, Jong-Kyoung; Kim, Ji-Hwan; Kim, Hae-Young; Kim, Woong-Chul; Yu, Chin-Ho

2016-04-01

The precision of two types of surface digitization devices, i.e., a contact probe scanner and an optical scanner, and the trueness of two types of stone replicas, i.e., one without an imaging powder (SR/NP) and one with an imaging powder (SR/P), were evaluated using a computer-aided analysis. A master die was fabricated from stainless steel. Ten impressions were taken, and ten stone replicas were prepared from Type IV stone (Fujirock EP, GC, Leuven, Belgium). The precision of two types of scanners was analyzed using the root mean square (RMS), measurement error (ME), and limits of agreement (LoA) at each coordinate. The trueness of the stone replicas was evaluated using the total deviation. A Student's t-test was applied to compare the discrepancies between the CAD-reference-models of the master die (m-CRM) and point clouds for the two types of stone replicas (α=.05). The RMS values for the precision were 1.58, 1.28, and 0.98μm along the x-, y-, and z-axes in the contact probe scanner and 1.97, 1.32, and 1.33μm along the x-, y-, and z-axes in the optical scanner, respectively. A comparison with m-CRM revealed a trueness of 7.10μm for SR/NP and 8.65μm for SR/P. The precision at each coordinate (x-, y-, and z-axes) was revealed to be higher than the one assessed in the previous method (overall offset differences). A comparison between the m-CRM and 3D surface models of the stone replicas revealed a greater dimensional change in SR/P than in SR/NP. Copyright © 2015 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

PIN - APOLLO 11

NASA Image and Video Library

1969-08-05

S69-40941 (July 1969) --- This picture is of the gold replica of an olive branch, the traditional symbol of peace, which was left on the moon's surface by Apollo 11 crewmembers. Astronaut Neil A. Armstrong, commander, was in charge of placing the small replica (less than half a foot in length) on the moon. The gesture represents a fresh wish for peace for all mankind.

Measurements of π ^± differential yields from the surface of the T2K replica target for incoming 31 GeV/ c protons with the NA61/SHINE spectrometer at the CERN SPS

NASA Astrophysics Data System (ADS)

Abgrall, N.; Aduszkiewicz, A.; Ajaz, M.; Ali, Y.; Andronov, E.; Antićić, T.; Antoniou, N.; Baatar, B.; Bay, F.; Blondel, A.; Blümer, J.; Bogomilov, M.; Brandin, A.; Bravar, A.; Brzychczyk, J.; Bunyatov, S. A.; Busygina, O.; Christakoglou, P.; Ćirković, M.; Czopowicz, T.; Davis, N.; Debieux, S.; Dembinski, H.; Deveaux, M.; Diakonos, F.; Di Luise, S.; Dominik, W.; Dumarchez, J.; Dynowski, K.; Engel, R.; Ereditato, A.; Feofilov, G. A.; Fodor, Z.; Garibov, A.; Gaździcki, M.; Golubeva, M.; Grebieszkow, K.; Grzeszczuk, A.; Guber, F.; Haesler, A.; Hasegawa, T.; Hervé, A. E.; Hierholzer, M.; Igolkin, S.; Ivashkin, A.; Johnson, S. R.; Kadija, K.; Kapoyannis, A.; Kaptur, E.; Kisiel, J.; Kobayashi, T.; Kolesnikov, V. I.; Kolev, D.; Kondratiev, V. P.; Korzenev, A.; Kowalik, K.; Kowalski, S.; Koziel, M.; Krasnoperov, A.; Kuich, M.; Kurepin, A.; Larsen, D.; László, A.; Lewicki, M.; Lyubushkin, V. V.; Maćkowiak-Pawłowska, M.; Maksiak, B.; Malakhov, A. I.; Manić, D.; Marcinek, A.; Marino, A. D.; Marton, K.; Mathes, H.-J.; Matulewicz, T.; Matveev, V.; Melkumov, G. L.; Messerly, B.; Mills, G. B.; Morozov, S.; Mrówczyński, S.; Nagai, Y.; Nakadaira, T.; Naskręt, M.; Nirkko, M.; Nishikawa, K.; Panagiotou, A. D.; Paolone, V.; Pavin, M.; Petukhov, O.; Pistillo, C.; Płaneta, R.; Popov, B. A.; Posiadała-Zezula, M.; Puławski, S.; Puzović, J.; Rauch, W.; Ravonel, M.; Redij, A.; Renfordt, R.; Richter-Wąs, E.; Robert, A.; Röhrich, D.; Rondio, E.; Roth, M.; Rubbia, A.; Rumberger, B. T.; Rustamov, A.; Rybczynski, M.; Sadovsky, A.; Sakashita, K.; Sarnecki, R.; Schmidt, K.; Sekiguchi, T.; Selyuzhenkov, I.; Seryakov, A.; Seyboth, P.; Sgalaberna, D.; Shibata, M.; Słodkowski, M.; Staszel, P.; Stefanek, G.; Stepaniak, J.; Ströbele, H.; Šuša, T.; Szuba, M.; Tada, M.; Taranenko, A.; Tefelska, A.; Tefelski, D.; Tereshchenko, V.; Tsenov, R.; Turko, L.; Ulrich, R.; Unger, M.; Vassiliou, M.; Veberič, D.; Vechernin, V. V.; Vesztergombi, G.; Vinogradov, L.; Wilczek, A.; Włodarczyk, Z.; Wojtaszek-Szwarc, A.; Wyszyński, O.; Yarritu, K.; Zambelli, L.; Zimmerman, E. D.; Friend, M.; Galymov, V.; Hartz, M.; Hiraki, T.; Ichikawa, A.; Kubo, H.; Matsuoka, K.; Murakami, A.; Nakaya, T.; Suzuki, K.; Tzanov, M.; Yu, M.

2016-11-01

Measurements of particle emission from a replica of the T2K 90 cm-long carbon target were performed in the NA61/SHINE experiment at CERN SPS, using data collected during a high-statistics run in 2009. An efficient use of the long-target measurements for neutrino flux predictions in T2K requires dedicated reconstruction and analysis techniques. Fully-corrected differential yields of π ^± -mesons from the surface of the T2K replica target for incoming 31 GeV/ c protons are presented. A possible strategy to implement these results into the T2K neutrino beam predictions is discussed and the propagation of the uncertainties of these results to the final neutrino flux is performed.

Neurovascular Modeling: Small-Batch Manufacturing of Silicone Vascular Replicas

PubMed Central

Chueh, J.Y.; Wakhloo, A.K.; Gounis, M.J.

2009-01-01

BACKGROUND AND PURPOSE Realistic, population based cerebrovascular replicas are required for the development of neuroendovascular devices. The objective of this work was to develop an efficient methodology for manufacturing realistic cerebrovascular replicas. MATERIALS AND METHODS Brain MR angiography data from 20 patients were acquired. The centerline of the vasculature was calculated, and geometric parameters were measured to describe quantitatively the internal carotid artery (ICA) siphon. A representative model was created on the basis of the quantitative measurements. Using this virtual model, we designed a mold with core-shell structure and converted it into a physical object by fused-deposit manufacturing. Vascular replicas were created by injection molding of different silicones. Mechanical properties, including the stiffness and luminal coefficient of friction, were measured. RESULTS The average diameter, length, and curvature of the ICA siphon were 4.15 ± 0.09 mm, 22.60 ± 0.79 mm, and 0.34 ± 0.02 mm-1 (average ± standard error of the mean), respectively. From these image datasets, we created a median virtual model, which was transformed into a physical replica by an efficient batch-manufacturing process. The coefficient of friction of the luminal surface of the replica was reduced by up to 55% by using liquid silicone rubber coatings. The modulus ranged from 0.67 to 1.15 MPa compared with 0.42 MPa from human postmortem studies, depending on the material used to make the replica. CONCLUSIONS Population-representative, smooth, and true-to-scale silicone arterial replicas with uniform wall thickness were successfully built for in vitro neurointerventional device-testing by using a batch-manufacturing process. PMID:19321626

[Use of bacteriphages against Salmonella Enteritidis: a prevention tool].

PubMed

García, Cristina; Marín, Clara; Catalá-Gregori, Pablo; Soriano, Jose Miguel

2015-06-01

Salmonellosis is a highly prevalent disease still searching for preventive tools to avoid contamination level priority public health. The in vitro effect of bacteriophages against Salmonella enteritidis was evaluated as a prevention tool. Two tests with three concentrations of bacteriophages were conducted against two strains of Salmonella Enteritidis inoculated in fresh faeces of laying hens. Each test had a positive control. Thus, four groups in each test were evaluated. Each experimental group included two replicates, and three plates were incubated per replicate. The concentrations tested were three: commercial solution (5 × 10(7) pfu/mL), and two dilutions (1/10 and 1/30). One of the strains tested was CECT 4300, a certified strain of Colección Española de Cultivo Tipo and the other a field isolated strain in a sacrificed hen farm. Both strains were inoculated at 1.3 × 10(5) cfu/g of faeces in each of the four groups. Isolation and identification of bacteria by ISO6579 was done at various times after inoculation: 1 minute, 24 hours and 7 days. In the first test, with certified strain, Salmonella was isolated in all groups at time 1 minute. After 24 hours, Salmonella was isolated in all groups except in one of the replicas treated with 1/10 dilution of bacteriophages, one of the other replica plate treated with 1/10 dilution, and two plates of the two replicas treated with the commercial solution. After 7 days, the bacteria were not isolated from any of the experimental groups. In the second test, with the field strain, Salmonella was isolated in all groups at time 1 minute. After 24 hours, Salmonella was isolated in all groups except in one of the replicas treated with 1/10 dilution of bacteriophages and the two replicas treated with the commercial solution. Salmonella was not isolated in any of the experimental groups at 7 days. The use of bacteriophages reduced Salmonella enteritidis isolates in faeces at 24 hours after the application, so it could be considered as a prevention tool. At 7 days after inoculation of bacteria, no one was isolated in any of the experimental groups. Copyright AULA MEDICA EDICIONES 2014. Published by AULA MEDICA. All rights reserved.

Sampling enhancement for the quantum mechanical potential based molecular dynamics simulations: a general algorithm and its extension for free energy calculation on rugged energy surface.

PubMed

Li, Hongzhi; Yang, Wei

2007-03-21

An approach is developed in the replica exchange framework to enhance conformational sampling for the quantum mechanical (QM) potential based molecular dynamics simulations. Importantly, with our enhanced sampling treatment, a decent convergence for electronic structure self-consistent-field calculation is robustly guaranteed, which is made possible in our replica exchange design by avoiding direct structure exchanges between the QM-related replicas and the activated (scaled by low scaling parameters or treated with high "effective temperatures") molecular mechanical (MM) replicas. Although the present approach represents one of the early efforts in the enhanced sampling developments specifically for quantum mechanical potentials, the QM-based simulations treated with the present technique can possess the similar sampling efficiency to the MM based simulations treated with the Hamiltonian replica exchange method (HREM). In the present paper, by combining this sampling method with one of our recent developments (the dual-topology alchemical HREM approach), we also introduce a method for the sampling enhanced QM-based free energy calculations.

Ubiquitous strong electron–phonon coupling at the interface of FeSe/SrTiO3

PubMed Central

Zhang, Chaofan; Liu, Zhongkai; Chen, Zhuoyu; Xie, Yanwu; He, Ruihua; Tang, Shujie; He, Junfeng; Li, Wei; Jia, Tao; Rebec, Slavko N.; Ma, Eric Yue; Yan, Hao; Hashimoto, Makoto; Lu, Donghui; Mo, Sung-Kwan; Hikita, Yasuyuki; Moore, Robert G.; Hwang, Harold Y.; Lee, Dunghai; Shen, Zhixun

2017-01-01

The observation of replica bands in single-unit-cell FeSe on SrTiO3 (STO)(001) by angle-resolved photoemission spectroscopy (ARPES) has led to the conjecture that the coupling between FeSe electrons and the STO phonons are responsible for the enhancement of Tc over other FeSe-based superconductors. However the recent observation of a similar superconducting gap in single-unit-cell FeSe/STO(110) raised the question of whether a similar mechanism applies. Here we report the ARPES study of the electronic structure of FeSe/STO(110). Similar to the results in FeSe/STO(001), clear replica bands are observed. We also present a comparative study of STO(001) and STO(110) bare surfaces, and observe similar replica bands separated by approximately the same energy, indicating this coupling is a generic feature of the STO surfaces and interfaces. Our findings suggest that the large superconducting gaps observed in FeSe films grown on different STO surface terminations are likely enhanced by a common mechanism. PMID:28186084

Ubiquitous strong electron–phonon coupling at the interface of FeSe/SrTiO 3

DOE PAGES

Zhang, Chaofan; Liu, Zhongkai; Chen, Zhuoyu; ...

2017-02-10

The observation of replica bands in single-unit-cell FeSe on SrTiO 3 (STO)(001) by angle-resolved photoemission spectroscopy (ARPES) has led to the conjecture that the coupling between FeSe electrons and the STO phonons are responsible for the enhancement of T c over other FeSe-based superconductors. However the recent observation of a similar superconducting gap in single-unit-cell FeSe/STO(110) raised the question of whether a similar mechanism applies. Here we report the ARPES study of the electronic structure of FeSe/STO(110). Similar to the results in FeSe/STO(001), clear replica bands are observed. We also present a comparative study of STO(001) and STO(110) bare surfaces,more » and observe similar replica bands separated by approximately the same energy, indicating this coupling is a generic feature of the STO surfaces and interfaces. Lastly, our findings suggest that the large superconducting gaps observed in FeSe films grown on different STO surface terminations are likely enhanced by a common mechanism.« less

Microlens fabrication by replica molding of frozen laser-printed droplets

NASA Astrophysics Data System (ADS)

Surdo, Salvatore; Diaspro, Alberto; Duocastella, Martí

2017-10-01

In this work, we synergistically combine laser-induced forward transfer (LIFT) and replica molding for the fabrication of microlenses with control of their geometry and size independent of the material or substrate used. Our approach is based on a multistep process in which liquid microdroplets of an aqueous solution are first printed on a substrate by LIFT. Following a freezing step, the microdroplets are used as a master to fabricate a polydimethylsiloxane (PDMS) mold. A subsequent replica molding step enables the creation of microlenses and microlens arrays on arbitrary selected substrates and by using different curable polymers. Thus, our method combines the rapid fabrication capabilities of LIFT and the perfectively smooth surface quality of the generated microdroplets, with the advantages of replica molding in terms of parallelization and materials flexibility. We demonstrate our strategy by generating microlenses of different photocurable polymers and by characterizing their optical and morphological properties.

Calculation of absolute protein-ligand binding free energy using distributed replica sampling.

PubMed

Rodinger, Tomas; Howell, P Lynne; Pomès, Régis

2008-10-21

Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

Calculation of absolute protein-ligand binding free energy using distributed replica sampling

NASA Astrophysics Data System (ADS)

Rodinger, Tomas; Howell, P. Lynne; Pomès, Régis

2008-10-01

Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

Surface-initiated polymerization within mesoporous silica spheres for the modular design of charge-neutral polymer particles.

PubMed

Müllner, Markus; Cui, Jiwei; Noi, Ka Fung; Gunawan, Sylvia T; Caruso, Frank

2014-06-03

We report a templating approach for the preparation of functional polymer replica particles via surface-initiated polymerization in mesoporous silica templates. Subsequent removal of the template resulted in discrete polymer particles. Furthermore, redox-responsive replica particles could be engineered to disassemble in a reducing environment. Particles, made of poly(methacryloyloxyethyl phosphorylcholine) (PMPC) or poly[oligo(ethylene glycol) methyl ether methacrylate] (POEGMA), exhibited very low association to human cancer cells (below 5%), which renders the reported charge-neutral polymer particles a modular and versatile class of highly functional carriers with potential applications in drug delivery.

3D profilometric characterization of the aged skin surface using a skin replica and alicona Mex software.

PubMed

Pirisinu, Marco; Mazzarello, Vittorio

2016-05-01

The skin's surface is characterized by a network of furrows and wrinkles showing different height and depth. Different studies showed that processes such as aging, photo aging and cancer may alter dermal ultrastructure surface. The quantitative analysis of skin topography is a key point for understanding health condition of the skin. Here, for the first time, the skin fine structure was studied via a new approach where replica method was combined with Mex Alicona software and scanning electron microscopy (SEM). The skin texture of cheek and forearm were studied in 120 healthy sardinian volunteers. Patients were divided into three different aged groups. The skin areas of interest were reproduced by the silicone replica method, each replica was explored by SEM and digital images were taken. By using Mex Alicona software were created 3D imagine and a list of 24 surface texture parameters were obtained, of these the most representative were chosen in order to assess eventual changes between groups. The skin's texture of forearm and cheek showed a gradually loss of its typical polyhedric mesh with increasing age group. In particular, the photoexposition increased loss of dermal texture. At today, Alicona mex technology was exclusively used on palaeontology studies, our results showed that a deep analyze of skin texture was performed and support Mex alicona software as a new promising tool on dermatological research. This new analytical approach provided an easy and fast process to appreciate skin texture and its changes, by using high quality 3D dimension images. SCANNING 38:213-220, 2016. © 2015 Wiley Periodicals, Inc. © Wiley Periodicals, Inc.

Soft Lithography

NASA Astrophysics Data System (ADS)

Xia, Younan; Whitesides, George M.

1998-08-01

Soft lithography represents a non-photolithographic strategy based on selfassembly and replica molding for carrying out micro- and nanofabrication. It provides a convenient, effective, and low-cost method for the formation and manufacturing of micro- and nanostructures. In soft lithography, an elastomeric stamp with patterned relief structures on its surface is used to generate patterns and structures with feature sizes ranging from 30 nm to 100 mum. Five techniques have been demonstrated: microcontact printing (muCP), replica molding (REM), microtransfer molding (muTM), micromolding in capillaries (MIMIC), and solvent-assisted micromolding (SAMIM). In this chapter we discuss the procedures for these techniques and their applications in micro- and nanofabrication, surface chemistry, materials science, optics, MEMS, and microelectronics.

Electronically transparent graphene replicas of diatoms: a new technique for the investigation of frustule morphology

PubMed Central

Pan, Zhengwei; Lerch, Sarah J. L.; Xu, Liang; Li, Xufan; Chuang, Yen-Jun; Howe, Jane Y.; Mahurin, Shannon M.; Dai, Sheng; Hildebrand, Mark

2014-01-01

The morphogenesis of the silica cell walls (called frustules) of unicellular algae known as diatoms is one of the most intriguing mysteries of the diatoms. To study frustule morphogenesis, optical, electron and atomic force microscopy has been extensively used to reveal the frustule morphology. However, since silica frustules are opaque, past observations were limited to outer and fracture surfaces, restricting observations of interior structures. Here we show that opaque silica frustules can be converted into electronically transparent graphene replicas, fabricated using chemical vapor deposition of methane. Chemical vapor deposition creates a continuous graphene coating preserving the frustule's shape and fine, complicated internal features. Subsequent dissolution of the silica with hydrofluoric acid yields a free-standing replica of the internal and external native frustule morphologies. Electron microscopy renders these graphene replicas highly transparent, revealing previously unobserved, complex, three-dimensional, interior frustule structures, which lend new insights into the investigation of frustule morphogenesis. PMID:25135739

[Effect of Shexiang Baoxin Pills on isoprenaline-induced myocardial cell hypertrophy and Cx43 expression].

PubMed

Tang, Fen; Jiang, Zhentao; Tan, Wenting; Long, Junrong; Liu, Shengquan; Chu, Chun

2017-08-28

To observe the effects of Shexiang Baoxin Pill (SBP) on isoprenaline (Iso)-induced changes in myocardial cell volume, shape, and connexin 43 (Cx43) expression.
 Methods: H9C2 myocardial cells were randomly divided into a control group, a Iso group and a Iso+SBP group. After 72 h of culture, the average surface area of H9C2 cells was measured under phase contrast microscope. Bicinchoninic acid (BCA) protein assay was carried out to determine the concentration of proteins. The survival rate of myocardial cells was measured by methylthiazolyldiphenyl-tetrazolium bromide (MTT) assay, and the Cx43 expression was detected by Western blot.
 Results: The mean surface area and Cx43 concentration in Iso-treated myocardial cells were increased under the phase contrast microscope (P<0.05). Compared with the Iso group, the mean surface area was decreased, and the Cx43 concentration was reduced in the Iso+SBP group (both P<0.05). Compared with the control group, the Cx43 expression was obviously down-regulated in the H9C2 cells of the Iso group (P<0.05); while compared with the Iso group, the Cx43 expression was obviously up-regulated in the Iso+SBP group (P<0.05).
 Conclusion: Shexiang Baoxin Pills can prevent Iso-induced myocardial hypertrophy and down-regulate Cx43 expression.

The Effect of n vs. iso Isomerization on the Thermophysical Properties of Aromatic and Non-aromatic Ionic Liquids.

PubMed

Rodrigues, Ana S M C; Almeida, Hugo F D; Freire, Mara G; Lopes-da-Silva, José A; Coutinho, João A P; Santos, Luís M N B F

2016-09-15

This work explores the n vs. iso isomerization effects on the physicochemical properties of different families of ionic liquids (ILs) with variable aromaticity and ring size. This study comprises the experimental measurements, in a wide temperature range, of the ILs' thermal behavior, heat capacities, densities, refractive indices, surface tensions, and viscosities. The results here reported show that the presence of the iso -alkyl group leads to an increase of the temperature of the glass transition, T g . The iso- pyrrolidinium (5 atoms ring cation core) and iso -piperidinium (6 atoms ring cation core) ILs present a strong differentiation in the enthalpy and entropy of melting. Non-aromatic ILs have higher molar heat capacities due to the increase of the atomic contribution, whereas it was not found any significant differentiation between the n and iso -alkyl isomers. A small increase of the surface tension was observed for the non-aromatic ILs, which could be related to their higher cohesive energy of the bulk, while the lower surface entropy observed for the iso isomers indicates a structural resemblance between the IL bulk and surface. The significant differentiation between ILs with a 5 and 6 atoms ring cation in the n -alkyl series (where 5 atoms ring cations have higher surface entropy) is an indication of a more efficient arrangement of the non-polar region at the surface in ILs with smaller cation cores. The ILs constituted by non-aromatic piperidinium cation, and iso -alkyl isomers were found to be the most viscous among the studied ILs due to their higher energy barriers for shear stress.

Lunar Tire Close-up

NASA Image and Video Library

2017-02-23

This is a close-up of an exact replica of the Apollo-era Lunar Roving Vehicle Wheel, of which twelve originals still rest on the surface of the Moon. The tire was designed to flex under load, without air, and was formed from a mesh of plated piano wire. Metal straps were hand riveted onto the mesh to reduce sinking into loose lunar soils. These replica wheels were tested in NASA Glenn's SLOPE Lab to establish a baseline for future improvements.

Origin of two time-scale regimes in potentiometric titration of metal oxides. A replica kinetic Monte Carlo study.

PubMed

Zarzycki, Piotr; Rosso, Kevin M

2009-06-16

Replica kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface nonuniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton-binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation does not necessarily need to be invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic nonuniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed, and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.

Effect of spatial distribution of wax and PEG-isocyanate on the morphology and hydrophobicity of starch films.

PubMed

Muscat, Delina; Adhikari, Raju; Tobin, Mark J; McKnight, Stafford; Wakeling, Lara; Adhikari, Benu

2014-10-13

This study proposes a novel method for improving surface hydrophobicity of glycerol plasticized high amylose (HAG) films. We used polyethylene glycol isocyanate (PEG-iso) crosslinker to link HAG and three natural waxes (beeswax, candelilla wax and carnauba wax) to produce HAG+wax+PEG-iso films. The spatial distributions of wax and PEG-iso across the thickness of these films were determined using Synchrotron-based Fourier transform infrared spectroscopy. The hydrophobicity and surface morphology of the films were determined using contact angle (CA) and scanning electron microscopic measurements, respectively. The distribution patterns of wax and the PEG-iso across the thickness of the film, and the nature of crystalline patterns formed on the surface of these films were found to be the key factors affecting surface hydrophobicity. The highest hydrophobicity (CA >90°) was created when the PEG-iso was primarily distributed in the interior of the films and a hierarchical circular pinnacle structure of solidified wax was formed on the surface. Copyright © 2014 Elsevier Ltd. All rights reserved.

Application of Surface Analysis Methods to Nanomaterials: Summaryof ISO/TC 201 Technical Report: ISO 14187:2011 -Surface Chemical Analysis- Characterization of Nanomaterials

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

Baer, Donald R.

ISO Technical Report (TR) 14187 provides an introduction to (and examples of) the information that can be obtained about nanostructured materials using surface-analysis tools. In addition, both general issues and challenges associated with characterising nanostructured materials and the specific opportunities and challenges associated with individual analytical methods are identified. As the size of objects or components of materials approaches a few nanometres, the distinctions among 'bulk', 'surface' and 'particle' analysis blur. This Technical Report focuses on issues specifically relevant to surface chemical analysis of nanostructured materials. The report considers a variety of analysis methods but focuses on techniques that aremore » in the domain of ISO/TC 201 including Auger electron spectroscopy, X-ray photoelectron spectroscopy, secondary ion mass spectrometry, and scanning probe microscopy. Measurements of nanoparticle surface properties such as surface potential that are often made in a solution are not discussed.« less

Controlling factors of oligomerization at the water surface: why is isoprene such a unique VOC?

PubMed

Ishizuka, Shinnosuke; Fujii, Tomihide; Matsugi, Akira; Sakamoto, Yosuke; Hama, Tetsuya; Enami, Shinichi

2018-06-06

Recent studies have shown that atmospheric particles are sufficiently acidic to enhance the uptake of unsaturated volatile organic compounds (VOCs) by triggering acid-catalyzed oligomerization. Controlling factors of oligomerization at the aqueous surfaces, however, remain to be elucidated. Herein, isoprene (2-methyl-1,3-butadiene, ISO), 1,3-butadiene (1,3-b), 1,4-pentadiene (1,4-p), 1-pentene (1-p), and 2-pentene (2-p) vapors are exposed to an acidic water microjet (1 ≤ pH ≤ 5), where cationic products are generated on its surface within ∼10 μs and directly detected using surface-sensitive mass spectrometry. We found that carbocations form at the air-water interface in all the cases, whereas the extent of oligomerization largely depends on the structure in the following order: ISO ≫ 1,3-b > 1,4-p ≫ 1-p ≈ 2-p. Importantly, the cationic oligomerization of ISO yields a protonated decamer ((ISO)10H+, a C50 species of m/z 681.6), while the pentenes 1-p/2-p remain as protonated monomers. We suggest that ISO oligomerization is uniquely facilitated by (1) the resonance stabilization of (ISO)H+ through the formation of a tertiary carbocation with a conjugated C[double bond, length as m-dash]C bond pair, and (2) π-electron enrichment induced by the neighboring methyl group. Experiments in D2O and D2O : H2O mixtures revealed that ISO oligomerization on the acidic water surface proceeds via two competitive mechanisms: chain-propagation and proton-exchange reactions. Furthermore, we found that ISO carbocations undergo addition to relatively inert 1-p, generating hitherto uncharacterized co-oligomers.

Progress in revising and supplementing fundamental optical ISO standards

NASA Astrophysics Data System (ADS)

Schuhmann, Rainer

2017-11-01

This overview reflects the ISO working group activities of ISO/TC 172 Subcommittee 1 during the last years which have resulted in revisions and new ISO standards for optical components. For ISO 10110, ISO 14999 and other standards new surface forms and metrology techniques have been considered, standards about material characteristics have been consolidated, and optical drawings have been updated. Selected examples of new improvements and future work items are given.

Pdf modeling for premixed turbulent combustion based on the properties of iso-concentration surfaces

NASA Technical Reports Server (NTRS)

Vervisch, L.; Kollmann, W.; Bray, K. N. C.; Mantel, T.

1994-01-01

In premixed turbulent flames the presence of intense mixing zones located in front of and behind the flame surface leads to a requirement to study the behavior of iso-concentration surfaces defined for all values of the progress variable (equal to unity in burnt gases and to zero in fresh mixtures). To support this study, some theoretical and mathematical tools devoted to level surfaces are first developed. Then a database of direct numerical simulations of turbulent premixed flames is generated and used to investigate the internal structure of the flame brush, and a new pdf model based on the properties of iso-surfaces is proposed.

An Ingenious Super Light Trapping Surface Templated from Butterfly Wing Scales

NASA Astrophysics Data System (ADS)

Han, Zhiwu; Li, Bo; Mu, Zhengzhi; Yang, Meng; Niu, Shichao; Zhang, Junqiu; Ren, Luquan

2015-08-01

Based on the super light trapping property of butterfly Trogonoptera brookiana wings, the SiO2 replica of this bionic functional surface was successfully synthesized using a simple and highly effective synthesis method combining a sol-gel process and subsequent selective etching. Firstly, the reflectivity of butterfly wing scales was carefully examined. It was found that the whole reflectance spectroscopy of the butterfly wings showed a lower level (less than 10 %) in the visible spectrum. Thus, it was confirmed that the butterfly wings possessed a super light trapping effect. Afterwards, the morphologies and detailed architectures of the butterfly wing scales were carefully investigated using the ultra-depth three-dimensional (3D) microscope and field emission scanning electronic microscopy (FESEM). It was composed by the parallel ridges and quasi-honeycomb-like structure between them. Based on the biological properties and function above, an exact SiO2 negative replica was fabricated through a synthesis method combining a sol-gel process and subsequent selective etching. At last, the comparative analysis of morphology feature size and the reflectance spectroscopy between the SiO2 negative replica and the flat plate was conducted. It could be concluded that the SiO2 negative replica inherited not only the original super light trapping architectures, but also the super light trapping characteristics of bio-template. This work may open up an avenue for the design and fabrication of super light trapping materials and encourage people to look for more super light trapping architectures in nature.

Validation of the replica trick for simple models

NASA Astrophysics Data System (ADS)

Shinzato, Takashi

2018-04-01

We discuss the replica analytic continuation using several simple models in order to prove mathematically the validity of the replica analysis, which is used in a wide range of fields related to large-scale complex systems. While replica analysis consists of two analytical techniques—the replica trick (or replica analytic continuation) and the thermodynamical limit (and/or order parameter expansion)—we focus our study on replica analytic continuation, which is the mathematical basis of the replica trick. We apply replica analysis to solve a variety of analytical models, and examine the properties of replica analytic continuation. Based on the positive results for these models we propose that replica analytic continuation is a robust procedure in replica analysis.

Classification of Streptomyces Spore Surfaces into Five Groups

PubMed Central

Dietz, Alma; Mathews, John

1971-01-01

Streptomyces spores surfaces have been classified into five groups, smooth, warty, spiny, hairy, and rugose, by examination of carbon replicas of spores with the transmission electron microscope and by direct examination of spores with the scanning electron microscope. Images PMID:4928607

On the kinematics of scalar iso-surfaces in turbulent flow

NASA Astrophysics Data System (ADS)

Blakeley, Brandon C.; Riley, James J.; Storti, Duane W.; Wang, Weirong

2017-11-01

The behavior of scalar iso-surfaces in turbulent flows is of fundamental interest and importance in a number of problems, e.g., the stoichiometric surface in non-premixed reactions, and the turbulent/non-turbulent interface in localized turbulent shear flows. Of particular interest here is the behavior of the average surface area per unit volume, Σ. We report on the use of direct numerical simulations and sophisticated surface tracking techniques to directly compute Σ and model its evolution. We consider two different scalar configurations in decaying, isotropic turbulence: first, the iso-surface is initially homogenous and isotropic in space, second, the iso-surface is initially planar. A novel method of computing integral properties from regularly-sampled values of a scalar function is leveraged to provide accurate estimates of Σ. Guided by simulation results, modeling is introduced from two perspectives. The first approach models the various terms in the evolution equation for Σ, while the second uses Rice's theorem to model Σ directly. In particular, the two principal effects on the evolution of Σ, i.e., the growth of the surface area due to local surface stretching, and the ultimate decay due to molecular destruction, are addressed.

Entanglement, replicas, and Thetas

NASA Astrophysics Data System (ADS)

Mukhi, Sunil; Murthy, Sameer; Wu, Jie-Qiang

2018-01-01

We compute the single-interval Rényi entropy (replica partition function) for free fermions in 1+1d at finite temperature and finite spatial size by two methods: (i) using the higher-genus partition function on the replica Riemann surface, and (ii) using twist operators on the torus. We compare the two answers for a restricted set of spin structures, leading to a non-trivial proposed equivalence between higher-genus Siegel Θ-functions and Jacobi θ-functions. We exhibit this proposal and provide substantial evidence for it. The resulting expressions can be elegantly written in terms of Jacobi forms. Thereafter we argue that the correct Rényi entropy for modular-invariant free-fermion theories, such as the Ising model and the Dirac CFT, is given by the higher-genus computation summed over all spin structures. The result satisfies the physical checks of modular covariance, the thermal entropy relation, and Bose-Fermi equivalence.

Kinetics from Replica Exchange Molecular Dynamics Simulations.

PubMed

Stelzl, Lukas S; Hummer, Gerhard

2017-08-08

Transitions between metastable states govern many fundamental processes in physics, chemistry and biology, from nucleation events in phase transitions to the folding of proteins. The free energy surfaces underlying these processes can be obtained from simulations using enhanced sampling methods. However, their altered dynamics makes kinetic and mechanistic information difficult or impossible to extract. Here, we show that, with replica exchange molecular dynamics (REMD), one can not only sample equilibrium properties but also extract kinetic information. For systems that strictly obey first-order kinetics, the procedure to extract rates is rigorous. For actual molecular systems whose long-time dynamics are captured by kinetic rate models, accurate rate coefficients can be determined from the statistics of the transitions between the metastable states at each replica temperature. We demonstrate the practical applicability of the procedure by constructing master equation (Markov state) models of peptide and RNA folding from REMD simulations.

Replica Exchange Gaussian Accelerated Molecular Dynamics: Improved Enhanced Sampling and Free Energy Calculation.

PubMed

Huang, Yu-Ming M; McCammon, J Andrew; Miao, Yinglong

2018-04-10

Through adding a harmonic boost potential to smooth the system potential energy surface, Gaussian accelerated molecular dynamics (GaMD) provides enhanced sampling and free energy calculation of biomolecules without the need of predefined reaction coordinates. This work continues to improve the acceleration power and energy reweighting of the GaMD by combining the GaMD with replica exchange algorithms. Two versions of replica exchange GaMD (rex-GaMD) are presented: force constant rex-GaMD and threshold energy rex-GaMD. During simulations of force constant rex-GaMD, the boost potential can be exchanged between replicas of different harmonic force constants with fixed threshold energy. However, the algorithm of threshold energy rex-GaMD tends to switch the threshold energy between lower and upper bounds for generating different levels of boost potential. Testing simulations on three model systems, including the alanine dipeptide, chignolin, and HIV protease, demonstrate that through continuous exchanges of the boost potential, the rex-GaMD simulations not only enhance the conformational transitions of the systems but also narrow down the distribution width of the applied boost potential for accurate energetic reweighting to recover biomolecular free energy profiles.

(Bio)Chemical Tailoring of Biogenic 3-D Nanopatterned Templates with Energy-Relevant Functionalities

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

Sandhage, Kenneth H; Kroger, Nils

2014-09-08

The overall aim of this research has been to obtain fundamental understanding of (bio)chemical methodologies that will enable utilization of the unique 3-D nanopatterned architectures naturally produced by diatoms for the syntheses of advanced functional materials attractive for applications in energy harvesting/conversion and storage. This research has been conducted in three thrusts: Thrust 1 (In vivo immobilization of proteins in diatom biosilica) is directed towards elucidating the fundamental mechanism(s) underlying the cellular processes of in vivo immobilization of proteins in diatom silica. Thrust 2 (Shape-preserving reactive conversion of diatom biosilica into porous, high-surface area inorganic replicas) is aimed at understandingmore » the fundamental mechanisms of shape preservation and nanostructural evolution associated with the reactive conversion and/or coating-based conversion of diatom biosilica templates into porous inorganic replicas. Thrust 3 (Immobilization of energy-relevant enzymes in diatom biosilica and onto diatom biosilica-derived inorganic replicas) involves use of the results from both Thrust 1 and 2 to develop strategies for in vivo and in vitro immobilization of enzymes in/on diatom biosilica and diatom biosilica-derived inorganic replicas, respectively. This Final Report describes progress achieved in all 3 of these thrusts.« less

Electron Phonon Coupling versus Photoelectron Energy Loss at the Origin of Replica Bands in Photoemission of FeSe on SrTiO3

NASA Astrophysics Data System (ADS)

Li, Fengmiao; Sawatzky, George A.

2018-06-01

The recent observation of replica bands in single-layer FeSe /SrTiO3 by angle-resolved photoemission spectroscopy (ARPES) has triggered intense discussions concerning the potential influence of the FeSe electrons coupling with substrate phonons on the superconducting transition temperature. Here we provide strong evidence that the replica bands observed in the single-layer FeSe /SrTiO3 system and several other cases are largely due to the energy loss processes of the escaping photoelectron, resulted from the well-known strong coupling of external propagating electrons to Fuchs-Kliewer surface phonons in ionic materials in general. The photoelectron energy loss in ARPES on single-layer FeSe /SrTiO3 is calculated using the demonstrated successful semiclassical dielectric theory in describing low energy electron energy loss spectroscopy of ionic insulators. Our result shows that the observed replica bands are mostly a result of extrinsic photoelectron energy loss and not a result of the electron phonon interaction of the Fe d electrons with the substrate phonons. The strong enhancement of the superconducting transition temperature in these monolayers remains an open question.

Flow Liner Slot Edge Replication Feasibility Study

NASA Technical Reports Server (NTRS)

Newman, John A.; Willard, Scott A.; Smith, Stephen W.; Piascik, Robert S.

2006-01-01

Surface replication has been proposed as a method for crack detection in space shuttle main engine flowliner slots. The results of a feasibility study show that examination of surface replicas with a scanning electron microscope can result in the detection of cracks as small as 0.005 inch, and surface flaws as small as 0.001 inch, for the flowliner material.

Surface microstructures of daisy florets (Asteraceae) and characterization of their anisotropic wetting.

PubMed

Koch, Kerstin; Bennemann, Michael; Bohn, Holger F; Albach, Dirk C; Barthlott, Wilhelm

2013-09-01

The surface microstructures on ray florets of 62 species were characterized and compared with modern phylogenetic data of species affiliation in Asteraceae to determine sculptural patterns and their occurrence in the tribes of Asteraceae. Their wettability was studied to identify structural-induced droplet adhesion, which can be used for the development of artificial surfaces for water harvesting and passive surface water transport. The wettability was characterized by contact angle (CA) and tilt angle measurements, performed on fresh ray florets and their epoxy resin replica. The CAs on ray florets varied between 104° and 156°, but water droplets did not roll off when surface was tilted at 90°. Elongated cell structures and cuticle folding orientated in the same direction as the cell elongation caused capillary forces, leading to anisotropic wetting, with extension of water droplets along the length axis of epidermis cells. The strongest elongation of the droplets was also supported by a parallel, cell-overlapping cuticle striation. In artificial surfaces made of epoxy replica of ray florets, this effect was enhanced. The distribution of the identified four structural types exhibits a strong phylogenetic signal and allows the inference of an evolutionary trend in the modification of floret epidermal cells.

The use of a 3D laser scanner using superimpositional software to assess the accuracy of impression techniques.

PubMed

Shah, Sinal; Sundaram, Geeta; Bartlett, David; Sherriff, Martyn

2004-11-01

Several studies have made comparisons in the dimensional accuracy of different elastomeric impression materials. Most have used two-dimensional measuring devices, which neglect to account for the dimensional changes that exist along a three-dimensional surface. The aim of this study was to compare the dimensional accuracy of an impression technique using a polyether material (Impregum) and a vinyl poly siloxane material (President) using a laser scanner with three-dimensional superimpositional software. Twenty impressions, 10 with a polyether and 10 with addition silicone, of a stone master model that resembled a dental arch containing three acrylic posterior teeth were cast in orthodontic stone. One plastic tooth was prepared for a metal crown. The master model and the casts were digitised with the non-contacting laser scanner to produce a 3D image. 3D surface viewer software superimposed the master model to the stone replica and the difference between the images analysed. The mean difference between the model and the stone replica made from Impregum was 0.072mm (SD 0.006) and that for the silicone 0.097mm (SD 0.005) and this difference was statistically significantly, p=0.001. Both impression materials provided an accurate replica of the prepared teeth supporting the view that these materials are highly accurate.

Development and validation of a canine radius replica for mechanical testing of orthopedic implants.

PubMed

Little, Jeffrey P; Horn, Timothy J; Marcellin-Little, Denis J; Harrysson, Ola L A; West, Harvey A

2012-01-01

To design and fabricate fiberglass-reinforced composite (FRC) replicas of a canine radius and compare their mechanical properties with those of radii from dog cadavers. Replicas based on 3 FRC formulations with 33%, 50%, or 60% short-length discontinuous fiberglass by weight (7 replicas/group) and 5 radii from large (> 30-kg) dog cadavers. Bones and FRC replicas underwent nondestructive mechanical testing including 4-point bending, axial loading, and torsion and destructive testing to failure during 4-point bending. Axial, internal and external torsional, and bending stiffnesses were calculated. Axial pullout loads for bone screws placed in the replicas and cadaveric radii were also assessed. Axial, internal and external torsional, and 4-point bending stiffnesses of FRC replicas increased significantly with increasing fiberglass content. The 4-point bending stiffness of 33% and 50% FRC replicas and axial and internal torsional stiffnesses of 33% FRC replicas were equivalent to the cadaveric bone stiffnesses. Ultimate 4-point bending loads did not differ significantly between FRC replicas and bones. Ultimate screw pullout loads did not differ significantly between 33% or 50% FRC replicas and bones. Mechanical property variability (coefficient of variation) of cadaveric radii was approximately 2 to 19 times that of FRC replicas, depending on loading protocols. Within the range of properties tested, FRC replicas had mechanical properties equivalent to and mechanical property variability less than those of radii from dog cadavers. Results indicated that FRC replicas may be a useful alternative to cadaveric bones for biomechanical testing of canine bone constructs.

Rectification of Atmospheric Intraseasonal Oscillations on Seasonal to Interannual Sea Surface Temperature in the Indian Ocean

NASA Astrophysics Data System (ADS)

Duncan, B.; Han, W.

2010-12-01

An ocean general circulation model (the Hybrid Coordinate Ocean Model, HYCOM) is used to examine the rectification of atmospheric intraseasonal oscillations (ISOs) on lower-frequency seasonal to interannual sea surface temperatures (SSTs) in the Indian Ocean (IO). Existing studies have shown that ISOs rectify on low-frequency equatorial surface currents, suggesting that they may also have important impacts on low-frequency SST variability. To evaluate these impacts, a hierarchy of experiments is run with HYCOM that isolates the ocean response to atmospheric forcing by 10-30 day (submonthly), 30-90 day (dominated by the Madden-Julian Oscillation), and 10-90 day (all ISO) events. Other experiments isolate the ocean response to a range of forcing processes including shortwave radiation, precipitation, and winds. Results indicate that ISOs have a non-negligible effect on the seasonal and annual cycles of SST in the Arabian Sea. The maximum seasonal SST variability in the Arabian Sea is 1.6°C, while the ISO-forced seasonal SST variability has a maximum of 0.4°C. Because SSTs in the Arabian Sea are already warm (>28°C), a change of 0.4°C can affect convection there. ISOs also have non-negligible effects on the seasonal variability of SST in the south- and west- equatorial IO. The ISO contribution to the seasonal cycle of mixed layer thickness (hmix) in the eastern equatorial IO has a maximum of 9m, while the total hmix seasonal cycle has a maximum of 14m. ISOs affect the hmix seasonal cycle by up to 10m in the Arabian Sea, where the total seasonal cycle has a maximum of 75m. Further work will seek to explain the causes of this observed rectification of ISOs on seasonal SST and mixed layer variability, and to extend our results to include interannual timescales.

Synergistic responses of superficial chemistry and micro topography of titanium created by wire-type electric discharge machining.

PubMed

Kataoka, Yu; Tamaki, Yukimichi; Miyazaki, Takashi

2011-01-01

Wire-type electric discharge machining has been applied to the manufacture of endosseous titanium implants as this computer associated technique allows extremely accurate complex sample shaping with an optimal micro textured surface during the processing. Since the titanium oxide layer is sensitively altered by each processing, the authors hypothesized that this technique also up-regulates biological responses through the synergistic effects of the superficial chemistry and micro topography. To evaluate the respective in vitro cellular responses on the superficial chemistry and micro topography of titanium surface processed by wire-type electric discharge, we used titanium-coated epoxy resin replica of the surface. An oxide layer on the titanium surface processed by wire-type electric discharge activated the initial responses of osteoblastic cells through an integrin-mediated mechanism. Since the mRNA expression of ALP on those replicas was up-regulated compared to smooth titanium samples, the micro topography of a titanium surface processed by wire-type electric discharge promotes the osteogenic potential of cells. The synergistic response of the superficial chemistry and micro topography of titanium processed by wire-type electric discharge was demonstrated in this study.

The fabrication of subwavelength anti-reflective nanostructures using a bio-template

NASA Astrophysics Data System (ADS)

Xie, Guoyong; Zhang, Guoming; Lin, Feng; Zhang, Jin; Liu, Zhongfan; Mu, Shichen

2008-03-01

This paper describes a paradigm, a simple, low-cost and conventional approach to the fabrication of large-area subwavelength anti-reflective nanostructures on films directly with a bio-template. Specifically, the nano-nipple arrays on the surface of cicada wings have been precisely replicated to a PMMA (polymethyl methacrylate) film with high reproducibility by a technique of replica molding, which mainly involves two processes: one is that a negative Au mold is prepared directly from the bio-template of the cicada wing by thermal deposition; the other is that the Au mold is used to obtain the replica of the nanostructures on the original cicada wing by casting polymer. The reflectance spectra measurement shows that the replicated PMMA film can considerably reduce reflectivity at its surface over a large wavelength range from 250 to 800 nm, indicating that the anti-reflective property has also been inherited by the PMMA film.

Replica exchange with solute tempering: A method for sampling biological systems in explicit water

NASA Astrophysics Data System (ADS)

Liu, Pu; Kim, Byungchan; Friesner, Richard A.; Berne, B. J.

2005-09-01

An innovative replica exchange (parallel tempering) method called replica exchange with solute tempering (REST) for the efficient sampling of aqueous protein solutions is presented here. The method bypasses the poor scaling with system size of standard replica exchange and thus reduces the number of replicas (parallel processes) that must be used. This reduction is accomplished by deforming the Hamiltonian function for each replica in such a way that the acceptance probability for the exchange of replica configurations does not depend on the number of explicit water molecules in the system. For proof of concept, REST is compared with standard replica exchange for an alanine dipeptide molecule in water. The comparisons confirm that REST greatly reduces the number of CPUs required by regular replica exchange and increases the sampling efficiency. This method reduces the CPU time required for calculating thermodynamic averages and for the ab initio folding of proteins in explicit water. Author contributions: B.J.B. designed research; P.L. and B.K. performed research; P.L. and B.K. analyzed data; and P.L., B.K., R.A.F., and B.J.B. wrote the paper.Abbreviations: REST, replica exchange with solute tempering; REM, replica exchange method; MD, molecular dynamics.*P.L. and B.K. contributed equally to this work.

Straightforward and precise approach to replicate complex hierarchical structures from plant surfaces onto soft matter polymer

PubMed Central

Speck, Thomas; Bohn, Holger F.

2018-01-01

The surfaces of plant leaves are rarely smooth and often possess a species-specific micro- and/or nano-structuring. These structures usually influence the surface functionality of the leaves such as wettability, optical properties, friction and adhesion in insect–plant interactions. This work presents a simple, convenient, inexpensive and precise two-step micro-replication technique to transfer surface microstructures of plant leaves onto highly transparent soft polymer material. Leaves of three different plants with variable size (0.5–100 µm), shape and complexity (hierarchical levels) of their surface microstructures were selected as model bio-templates. A thermoset epoxy resin was used at ambient conditions to produce negative moulds directly from fresh plant leaves. An alkaline chemical treatment was established to remove the entirety of the leaf material from the cured negative epoxy mould when necessary, i.e. for highly complex hierarchical structures. Obtained moulds were filled up afterwards with low viscosity silicone elastomer (PDMS) to obtain positive surface replicas. Comparative scanning electron microscopy investigations (original plant leaves and replicated polymeric surfaces) reveal the high precision and versatility of this replication technique. This technique has promising future application for the development of bioinspired functional surfaces. Additionally, the fabricated polymer replicas provide a model to systematically investigate the structural key points of surface functionalities. PMID:29765666

Thermal and ion-induced surface reactions of 1,1-difluoroethylene on Si(111)7 x 7 and vitreous SiO2.

PubMed

He, Zhenhua; Leung, K T

2005-08-11

Thermal and ion-induced reactions of 1,1-difluoroethylene (1,1-C2H2F2 or iso-DFE) on Si(111)7 x 7 and vitreous SiO2 surfaces have been investigated by vibrational electron energy loss spectroscopy and thermal desorption spectrometry. Like ethylene, iso-DFE predominantly chemisorbs via a [2 + 2] cycloaddition mechanism onto the 7 x 7 surface as a di-sigma-bonded difluoroethane-1,2-diyl adstructure, which undergoes H abstraction and defluorination, producing hydrocarbon fragments and SiF(x) (x = 1-3) upon annealing to >700 K. Ion irradiation of Si(111)7 x 7 in iso-DFE at 50 eV impact energy appears to substantially enhance the production of hydrocarbon fragments and SiF(x)(), leading to stronger SiF4 desorption products over an extended temperature range (400-900 K). The observed SiC and SiF(x) produced on the 7 x 7 surface by ion irradiation in iso-DFE are found to be similar to those obtained by ion irradiation in the fluoromethane homologues, CF4 and CH2F2. The production of higher relative concentrations for the larger SiF(x) and C2-containing fragments is evidently favored on the 7 x 7 surface. On a vitreous SiO2 surface, ion irradiation in iso-DFE, unlike that in CF4 and CH2F2, appears to produce less SiF(x) than that on the 7 x 7 surface, which indicates that surface O does not interact strongly with the C2-containing fragments. The presence or absence of a C=C bond and the relative F-to-C ratio of the sputtering gas could therefore produce important effects on the resulting surface products obtained by low-energy ion irradiation.

Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations.

PubMed

Jiang, Wei; Roux, Benoît

2010-07-01

Free Energy Perturbation with Replica Exchange Molecular Dynamics (FEP/REMD) offers a powerful strategy to improve the convergence of free energy computations. In particular, it has been shown previously that a FEP/REMD scheme allowing random moves within an extended replica ensemble of thermodynamic coupling parameters "lambda" can improve the statistical convergence in calculations of absolute binding free energy of ligands to proteins [J. Chem. Theory Comput. 2009, 5, 2583]. In the present study, FEP/REMD is extended and combined with an accelerated MD simulations method based on Hamiltonian replica-exchange MD (H-REMD) to overcome the additional problems arising from the existence of kinetically trapped conformations within the protein receptor. In the combined strategy, each system with a given thermodynamic coupling factor lambda in the extended ensemble is further coupled with a set of replicas evolving on a biased energy surface with boosting potentials used to accelerate the inter-conversion among different rotameric states of the side chains in the neighborhood of the binding site. Exchanges are allowed to occur alternatively along the axes corresponding to the thermodynamic coupling parameter lambda and the boosting potential, in an extended dual array of coupled lambda- and H-REMD simulations. The method is implemented on the basis of new extensions to the REPDSTR module of the biomolecular simulation program CHARMM. As an illustrative example, the absolute binding free energy of p-xylene to the nonpolar cavity of the L99A mutant of T4 lysozyme was calculated. The tests demonstrate that the dual lambda-REMD and H-REMD simulation scheme greatly accelerates the configurational sampling of the rotameric states of the side chains around the binding pocket, thereby improving the convergence of the FEP computations.

An in vivo study of the effect of a 38 percent hydrogen peroxide in-office whitening agent on enamel.

PubMed

Cadenaro, Milena; Navarra, Chiara Ottavia; Mazzoni, Annalisa; Nucci, Cesare; Matis, Bruce A; Di Lenarda, Roberto; Breschi, Lorenzo

2010-04-01

In an in vivo study, the authors tested the hypothesis that no difference in enamel surface roughness is detectable either during or after bleaching with a high-concentration in-office whitening agent. The authors performed profilometric and scanning electron microscopic (SEM) analyses of epoxy resin replicas of the upper right incisors of 20 participants at baseline (control) and after each bleaching treatment with a 38 percent hydrogen peroxide whitening agent, applied four times, at one-week intervals. The authors used analysis of variance for repeated measures to analyze the data statistically. The profilometric analysis of the enamel surface replicas after the in vivo bleaching protocol showed no significant difference in surface roughness parameters (P > .05) compared with those at baseline, irrespective of the time interval. Results of the correlated SEM analysis showed no relevant alteration on the enamel surface. Results of this in vivo study support the tested hypothesis that the application of a 38 percent hydrogen peroxide in-office whitening agent does not alter enamel surface roughness, even after multiple applications. The use of a 38 percent hydrogen peroxide in-office whitening agent induced no roughness alterations of the enamel surface, even after prolonged and repeated applications.

Application Of Holographic Interferometry For Investigation Of Microroughness Of Engineering Surfaces

NASA Astrophysics Data System (ADS)

Lech, Marek; Mruk, Irena; Stupnicki, Jacek

1985-01-01

The paper describes an improved immersion method of holographic interferometry /IMHI/ adjusted for studies of roughness of engineering surfaces. Special optical arrangement, with two types of immersion cells and adequate technique of preparing transparent replicas reproducting with high fidelity details of differently machined surfaces was elaborated. It permits to obtain the contour maps of the surface asperities with intervals between the planes of succesive contour lines within a range of 1 μm. The results obtained for some engineering surfaces are given.

Faster protein folding using enhanced conformational sampling of molecular dynamics simulation.

PubMed

Kamberaj, Hiqmet

2018-05-01

In this study, we applied swarm particle-like molecular dynamics (SPMD) approach to enhance conformational sampling of replica exchange simulations. In particular, the approach showed significant improvement in sampling efficiency of conformational phase space when combined with replica exchange method (REM) in computer simulation of peptide/protein folding. First we introduce the augmented dynamical system of equations, and demonstrate the stability of the algorithm. Then, we illustrate the approach by using different fully atomistic and coarse-grained model systems, comparing them with the standard replica exchange method. In addition, we applied SPMD simulation to calculate the time correlation functions of the transitions in a two dimensional surface to demonstrate the enhancement of transition path sampling. Our results showed that folded structure can be obtained in a shorter simulation time using the new method when compared with non-augmented dynamical system. Typically, in less than 0.5 ns using replica exchange runs assuming that native folded structure is known and within simulation time scale of 40 ns in the case of blind structure prediction. Furthermore, the root mean square deviations from the reference structures were less than 2Å. To demonstrate the performance of new method, we also implemented three simulation protocols using CHARMM software. Comparisons are also performed with standard targeted molecular dynamics simulation method. Copyright © 2018 Elsevier Inc. All rights reserved.

Storing files in a parallel computing system using list-based index to identify replica files

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

Faibish, Sorin; Bent, John M.; Tzelnic, Percy

Improved techniques are provided for storing files in a parallel computing system using a list-based index to identify file replicas. A file and at least one replica of the file are stored in one or more storage nodes of the parallel computing system. An index for the file comprises at least one list comprising a pointer to a storage location of the file and a storage location of the at least one replica of the file. The file comprises one or more of a complete file and one or more sub-files. The index may also comprise a checksum value formore » one or more of the file and the replica(s) of the file. The checksum value can be evaluated to validate the file and/or the file replica(s). A query can be processed using the list.« less

Photographic replica of the plaque Apollo 13 astronauts will leave on moon

NASA Image and Video Library

1970-04-13

S70-34685 (April 1970) --- A photographic replica of the plaque which the Apollo 13 astronauts will leave behind on the moon during their lunar landing mission. Astronauts James A. Lovell Jr., commander; and Fred W. Haise Jr., lunar module pilot, will descend to the lunar surface in the Lunar Module (LM) "Aquarius". Astronaut John L. Swigert Jr., command module pilot, will remain with the Command and Service Modules (CSM) in lunar orbit. The plaque will be attached to the ladder of the landing gear strut on the LM?s descent stage. Commemorative plaques were also left on the moon by the Apollo 11 and Apollo 12 astronauts.

Thin sectioning and surface replication of ice at low temperature.

USGS Publications Warehouse

Daley, M.A.; Kirby, S.H.

1984-01-01

We have developed a new technique for making thin sections and surface replicas of ice at temperatures well below 273d K. The ability to make thin sections without melting sample material is important in textural and microstructural studies of ice deformed at low temperatures because of annealing effects we have observed during conventional section making.-from Author

Accuracy and repeatability of long-bone replicas of small animals fabricated by use of low-end and high-end commercial three-dimensional printers.

PubMed

Cone, Jamie A; Martin, Thomas M; Marcellin-Little, Denis J; Harrysson, Ola L A; Griffith, Emily H

2017-08-01

OBJECTIVE To assess the repeatability and accuracy of polymer replicas of small, medium, and large long bones of small animals fabricated by use of 2 low-end and 2 high-end 3-D printers. SAMPLE Polymer replicas of a cat femur, dog radius, and dog tibia were fabricated in triplicate by use of each of four 3-D printing methods. PROCEDURES 3-D renderings of the 3 bones reconstructed from CT images were prepared, and length, width of the proximal aspect, and width of the distal aspect of each CT image were measured in triplicate. Polymer replicas were fabricated by use of a high-end system that relied on jetting of curable liquid photopolymer, a high-end system that relied on polymer extrusion, a triple-nozzle polymer extrusion low-end system, and a dual-nozzle polymer extrusion low-end system. Polymer replicas were scanned by use of a laser-based coordinate measurement machine. Length, width of the proximal aspect, and width of the distal aspect of the scans of replicas were measured and compared with measurements for the 3-D renderings. RESULTS 129 measurements were collected for 34 replicas (fabrication of 1 large long-bone replica was unsuccessful on each of the 2 low-end printers). Replicas were highly repeatable for all 3-D printers. The 3-D printers overestimated dimensions of large replicas by approximately 1%. CONCLUSIONS AND CLINICAL RELEVANCE Low-end and high-end 3-D printers fabricated CT-derived replicas of bones of small animals with high repeatability. Replicas were slightly larger than the original bones.

A simple and effective approach towards biomimetic replication of photonic structures from butterfly wings.

PubMed

Zhu, Shenmin; Zhang, Di; Chen, Zhixin; Gu, Jiajun; Li, Wenfei; Jiang, Haibo; Zhou, Gang

2009-08-05

A general sonochemical process is reported for the replication of photonic structures from Morpho butterfly wings in several hours. By selecting appropriate precursors, we can achieve exact replications of photonic structures in a variety of transparent metal oxides, such as titania, tin oxide and silica. The exact replications at the micro- and nanoscales were characterized by a combination of FE-SEM, TEM, EDX and Raman measurements. The optical properties of the replicas were investigated by using reflectance spectroscopy, and it was found that the interesting chromaticity of the reflected light could be adjusted simply by tuning the replica materials. An ultrasensitive SnO(2)-based chemical sensor was prepared from the SnO(2) replica. The sensor has a sensitivity of 35.3-50 ppm ethanol at 300 degrees C, accompanied by a rapid response and recovery (around 8-15 s), owing to its large surface area and photonic structure. Thus, this process could be developed to produce photonic structural ceramics which could be used in many passive and active infrared devices, especially high performance optical components and sensors.

Replica Exchange Improves Sampling in Low-Resolution Docking Stage of RosettaDock

PubMed Central

Zhang, Zhe; Lange, Oliver F.

2013-01-01

Many protein-protein docking protocols are based on a shotgun approach, in which thousands of independent random-start trajectories minimize the rigid-body degrees of freedom. Another strategy is enumerative sampling as used in ZDOCK. Here, we introduce an alternative strategy, ReplicaDock, using a small number of long trajectories of temperature replica exchange. We compare replica exchange sampling as low-resolution stage of RosettaDock with RosettaDock's original shotgun sampling as well as with ZDOCK. A benchmark of 30 complexes starting from structures of the unbound binding partners shows improved performance for ReplicaDock and ZDOCK when compared to shotgun sampling at equal or less computational expense. ReplicaDock and ZDOCK consistently reach lower energies and generate significantly more near-native conformations than shotgun sampling. Accordingly, they both improve typical metrics of prediction quality of complex structures after refinement. Additionally, the refined ReplicaDock ensembles reach significantly lower interface energies and many previously hidden features of the docking energy landscape become visible when ReplicaDock is applied. PMID:24009670

A Validation Study of the Impression Replica Technique.

PubMed

Segerström, Sofia; Wiking-Lima de Faria, Johanna; Braian, Michael; Ameri, Arman; Ahlgren, Camilla

2018-04-17

To validate the well-known and often-used impression replica technique for measuring fit between a preparation and a crown in vitro. The validation consisted of three steps. First, a measuring instrument was validated to elucidate its accuracy. Second, a specimen consisting of male and female counterparts was created and validated by the measuring instrument. Calculations were made for the exact values of three gaps between the male and female. Finally, impression replicas were produced of the specimen gaps and sectioned into four pieces. The replicas were then measured with the use of a light microscope. The values received from measuring the specimen were then compared with the values received from the impression replicas, and the technique was thereby validated. The impression replica technique overvalued all measured gaps. Depending on location of the three measuring sites, the difference between the specimen and the impression replicas varied from 47 to 130 μm. The impression replica technique overestimates gaps within the range of 2% to 11%. The validation of the replica technique enables the method to be used as a reference when testing other methods for evaluating fit in dentistry. © 2018 by the American College of Prosthodontists.

The Activity of Antimicrobial Surfaces Varies by Testing Protocol Utilized

PubMed Central

Campos, Matias D.; Zucchi, Paola C.; Phung, Ann; Leonard, Steven N.; Hirsch, Elizabeth B.

2016-01-01

Background Contaminated hospital surfaces are an important source of nosocomial infections. A major obstacle in marketing antimicrobial surfaces is a lack of efficacy data based on standardized testing protocols. Aim We compared the efficacy of multiple testing protocols against several “antimicrobial” film surfaces. Methods Four clinical isolates were used: one Escherichia coli, one Klebsiella pneumoniae, and two Staphylococcus aureus strains. Two industry methods (modified ISO 22196 and ASTM E2149), a “dried droplet”, and a “transfer” method were tested against two commercially available antimicrobial films, one film in development, an untreated control, and a positive (silver) control film. At 2 (only ISO) and 24 hours following inoculation, bacteria were collected from film surfaces and enumerated. Results Compared to untreated films in all protocols, there were no significant differences in recovery on either commercial brand at 2 or 24 hours after inoculation. The silver surface demonstrated significant microbicidal activity (mean loss 4.9 Log10 CFU/ml) in all methods and time points with the exception of 2 hours in the ISO protocol and the transfer method. Using our novel droplet method, no differences between placebo and active surfaces were detected. The surface in development demonstrated variable activity depending on method, organism, and time point. The ISO demonstrated minimal activity at 2 hours but significant activity at 24 hours (mean 4.5 Log10 CFU/ml difference versus placebo). The ASTEM protocol exhibited significant differences in recovery of staphylococci (mean 5 Log10 CFU/ml) but not Gram-negative isolates (10 fold decrease). Minimal activity was observed with this film in the transfer method. Conclusions Varying results between protocols suggested that efficacy of antimicrobial surfaces cannot be easily and reproducibly compared. Clinical use should be considered and further development of representative methods is needed. PMID:27494336

Fog collecting biomimetic surfaces: Influence of microstructure and wettability.

PubMed

Azad, M A K; Ellerbrok, D; Barthlott, W; Koch, K

2015-01-19

We analyzed the fog collection efficiency of three different sets of samples: replica (with and without microstructures), copper wire (smooth and microgrooved) and polyolefin mesh (hydrophilic, superhydrophilic and hydrophobic). The collection efficiency of the samples was compared in each set separately to investigate the influence of microstructures and/or the wettability of the surfaces on fog collection. Based on the controlled experimental conditions chosen here large differences in the efficiency were found. We found that microstructured plant replica samples collected 2-3 times higher amounts of water than that of unstructured (smooth) samples. Copper wire samples showed similar results. Moreover, microgrooved wires had a faster dripping of water droplets than that of smooth wires. The superhydrophilic mesh tested here was proved more efficient than any other mesh samples with different wettability. The amount of collected fog by superhydrophilic mesh was about 5 times higher than that of hydrophilic (untreated) mesh and was about 2 times higher than that of hydrophobic mesh.

Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions.

PubMed

Adamczak, Beata; Kogut, Mateusz; Czub, Jacek

2018-04-25

Although osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage by enthalpically-driven association with the protein, acting synergistically with temperature to induce unfolding. In contrast, betaine is sterically excluded from the protein surface thereby exerting entropic depletion forces that contribute to the stabilization of the native state. In fact, we find that while at low temperatures betaine slightly increases the folding free energy of Trp-cage by promoting another near-native conformation, it protects the protein against temperature-induced denaturation. This, in turn, can be attributed to enhanced exclusion of betaine at higher temperatures that arises from less attractive interactions with the protein surface.

Alternative Fuels Data Center: Semi Service Outfits Replica Batmobile to

Science.gov Websites

Run on Natural Gas Semi Service Outfits Replica Batmobile to Run on Natural Gas to someone by E -mail Share Alternative Fuels Data Center: Semi Service Outfits Replica Batmobile to Run on Natural Gas on Natural Gas on Twitter Bookmark Alternative Fuels Data Center: Semi Service Outfits Replica

10 CFR 1.53 - Use of NRC seal or replicas.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Use of NRC seal or replicas. 1.53 Section 1.53 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag § 1.53 Use of NRC seal or replicas. (a) The use of the seal or replicas is restricted to the following: (1...

10 CFR 1.53 - Use of NRC seal or replicas.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Use of NRC seal or replicas. 1.53 Section 1.53 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag § 1.53 Use of NRC seal or replicas. (a) The use of the seal or replicas is restricted to the following: (1...

Finite Size Corrections to the Parisi Overlap Function in the GREM

NASA Astrophysics Data System (ADS)

Derrida, Bernard; Mottishaw, Peter

2018-01-01

We investigate the effects of finite size corrections on the overlap probabilities in the Generalized Random Energy Model in two situations where replica symmetry is broken in the thermodynamic limit. Our calculations do not use replicas, but shed some light on what the replica method should give for finite size corrections. In the gradual freezing situation, which is known to exhibit full replica symmetry breaking, we show that the finite size corrections lead to a modification of the simple relations between the sample averages of the overlaps Y_k between k configurations predicted by replica theory. This can be interpreted as fluctuations in the replica block size with a negative variance. The mechanism is similar to the one we found recently in the random energy model in Derrida and Mottishaw (J Stat Mech 2015(1): P01021, 2015). We also consider a simultaneous freezing situation, which is known to exhibit one step replica symmetry breaking. We show that finite size corrections lead to full replica symmetry breaking and give a more complete derivation of the results presented in Derrida and Mottishaw (Europhys Lett 115(4): 40005, 2016) for the directed polymer on a tree.

Effect of repetitive pecking at working length for glide path preparation using G-file.

PubMed

Ha, Jung-Hong; Jeon, Hyo-Jin; Abed, Rashid El; Chang, Seok-Woo; Kim, Sung-Kyo; Kim, Hyeon-Cheol

2015-05-01

Glide path preparation is recommended to reduce torsional failure of nickel-titanium (NiTi) rotary instruments and to prevent root canal transportation. This study evaluated whether the repetitive insertions of G-files to the working length maintain the apical size as well as provide sufficient lumen as a glide path for subsequent instrumentation. The G-file system (Micro-Mega) composed of G1 and G2 files for glide path preparation was used with the J-shaped, simulated resin canals. After inserting a G1 file twice, a G2 file was inserted to the working length 1, 4, 7, or 10 times for four each experimental group, respectively (n = 10). Then the canals were cleaned by copious irrigation, and lubricated with a separating gel medium. Canal replicas were made using silicone impression material, and the diameter of the replicas was measured at working length (D0) and 1 mm level (D1) under a scanning electron microscope. Data was analysed by one-way ANOVA and post-hoc tests (p = 0.05). The diameter at D0 level did not show any significant difference between the 1, 2, 4, and 10 times of repetitive pecking insertions of G2 files at working length. However, 10 times of pecking motion with G2 file resulted in significantly larger canal diameter at D1 (p < 0.05). Under the limitations of this study, the repetitive insertion of a G2 file up to 10 times at working length created an adequate lumen for subsequent apical shaping with other rotary files bigger than International Organization for Standardization (ISO) size 20, without apical transportation at D0 level.

Measurements of the absolute neutron fluence spectrum emitted at 0/sup 0/ and 90/sup 0/ from the Little-Boy replica

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

Roberts, J.H.; Gold, R.; Preston, C.C.

Nuclear research emulsions (NRE) have been used to characterize the neutron spectrum emitted by the Little-Boy replica. NRE were irradiated at the Little-Boy surface as well as approximately 2m from the center of the Little-Boy replica using polar angles of 0/sup 0/, 30/sup 0/, 60/sup 0/ and 90/sup 0/. For the NRE exposed at 2m, neutron background was determined using shadow shields of borated polyethylene. Emulsion scanning to date has concentrated exclusively on the 2m, 0/sup 0/ and 2m, 90/sup 0/ locations. Approximately 5000 proton-recoil tracks have been measured in NRE irradiated at each of these locations. At the 2m,more » 90/sup 0/ location the NRE neutron spectrum extends from 0.37 up to 8.2 MeV, whereas the NRE neutron spectrum at the 2m, 0/sup 0/ location is much softer and extends only up to 2.7 MeV. NRE neutron spectrometry results at these two locations are compared with both liquid scintillator neutron spectrometry and Monte Carlo calculations. 7 refs., 3 figs.« less

Evaluating the Use of Synthetic Replicas for SEM Identification of Bloodstains (with Emphasis on Archaeological and Ethnographic Artifacts).

PubMed

Hortolà, Policarp

2015-12-01

Some archaeological or ethnographic specimens are unavailable for direct examination using a scanning electron microscope (SEM) due to methodological obstacles or legal issues. In order to assess the feasibility of using SEM synthetic replicas for the identification of bloodstains (BSs) via morphology of red blood cells (RBCs), three fragments of different natural raw material (inorganic, stone; plant, wood; animal, shell) were smeared with peripheral human blood. Afterwards, molds and casts of the bloodstained areas were made using vinyl polysiloxane (VPS) silicone impression and polyurethane (PU) resin casting material, respectively. Then, the original samples and the resulting casts were coated with gold and examined in secondary-electron mode using a high-vacuum SEM. Results suggest that PU resin casts obtained from VPS silicone molds can preserve RBC morphology in BSs, and consequently that synthetic replicas are feasible for SEM identification of BSs on cultural heritage specimens made of natural raw materials. Although the focus of this study was on BSs, the method reported in this paper may be applicable to organic residues other than blood, as well as to the surface of other specimens when, for any reason, the original is unavailable for an SEM.

Evaluation of seatback vibration based on ISO 2631-1 (1997) standard method: The influence of vehicle seat structural resonance.

PubMed

Ittianuwat, R; Fard, M; Kato, K

2017-01-01

Although much research has been done in developing the current ISO 2631-1 (1997) standard method for assessment seat vibration comfort, little consideration has been given to the influence of vehicle seat structural dynamics on comfort assessment. Previous research has shown that there are inconsistencies between standard methods and subjective evaluation of comfort at around vehicle seat twisting resonant frequencies. This study reports the frequency-weighted r.m.s. accelerations in [Formula: see text], [Formula: see text] and [Formula: see text] axes and the total vibration (point vibration total value) at five locations on seatback surface at around vehicle seat twisting resonant frequencies. The results show that the vibration measured at the centre of seatback surface, suggested by current ISO 2631-1 (1997), at around twisting resonant frequencies was the least for all tested vehicle seats. The greatest point vibration total value on the seatback surface varies among vehicle seats. The variations in vibration measured at different locations on seatback surface at around twisting resonant frequencies were sufficiently great that might affect the comfort assessment of vehicle seat.Practitioner Summary: The influence of vehicle seat structural dynamics has not been considered in current ISO 2631-1 (1997). The results of this study show that the vibration measures on seatback surface at around vehicle seat twisting resonant frequency depends on vehicle seats and dominate at the top or the bottom of seatback but not at the centre.

Simulation studies of the fidelity of biomolecular structure ensemble recreation

NASA Astrophysics Data System (ADS)

Lätzer, Joachim; Eastwood, Michael P.; Wolynes, Peter G.

2006-12-01

We examine the ability of Bayesian methods to recreate structural ensembles for partially folded molecules from averaged data. Specifically we test the ability of various algorithms to recreate different transition state ensembles for folding proteins using a multiple replica simulation algorithm using input from "gold standard" reference ensembles that were first generated with a Gō-like Hamiltonian having nonpairwise additive terms. A set of low resolution data, which function as the "experimental" ϕ values, were first constructed from this reference ensemble. The resulting ϕ values were then treated as one would treat laboratory experimental data and were used as input in the replica reconstruction algorithm. The resulting ensembles of structures obtained by the replica algorithm were compared to the gold standard reference ensemble, from which those "data" were, in fact, obtained. It is found that for a unimodal transition state ensemble with a low barrier, the multiple replica algorithm does recreate the reference ensemble fairly successfully when no experimental error is assumed. The Kolmogorov-Smirnov test as well as principal component analysis show that the overlap of the recovered and reference ensembles is significantly enhanced when multiple replicas are used. Reduction of the multiple replica ensembles by clustering successfully yields subensembles with close similarity to the reference ensembles. On the other hand, for a high barrier transition state with two distinct transition state ensembles, the single replica algorithm only samples a few structures of one of the reference ensemble basins. This is due to the fact that the ϕ values are intrinsically ensemble averaged quantities. The replica algorithm with multiple copies does sample both reference ensemble basins. In contrast to the single replica case, the multiple replicas are constrained to reproduce the average ϕ values, but allow fluctuations in ϕ for each individual copy. These fluctuations facilitate a more faithful sampling of the reference ensemble basins. Finally, we test how robustly the reconstruction algorithm can function by introducing errors in ϕ comparable in magnitude to those suggested by some authors. In this circumstance we observe that the chances of ensemble recovery with the replica algorithm are poor using a single replica, but are improved when multiple copies are used. A multimodal transition state ensemble, however, turns out to be more sensitive to large errors in ϕ (if appropriately gauged) and attempts at successful recreation of the reference ensemble with simple replica algorithms can fall short.

Leaf Histology--Two Modern Methods.

ERIC Educational Resources Information Center

Freeman, H. E.

1984-01-01

Two methods for examining leaf structure are presented; both methods involve use of "superglue." The first method uses the glue to form a thin, permanent, direct replica of a leaf surface on a microscope slide. The second method uses the glue to examine the three-dimensional structure of spongy mesophyll. (JN)

Guidance of dorsal root ganglion neurites and Schwann cells by isolated Schwann cell topography on poly(dimethyl siloxane) conduits and films

NASA Astrophysics Data System (ADS)

Richardson, J. A.; Rementer, C. W.; Bruder, Jan M.; Hoffman-Kim, D.

2011-08-01

Biomimetic replicas of cellular topography have been utilized to direct neurite outgrowth. Here, we cultured postnatal rat dorsal root ganglion (DRG) explants in the presence of Schwann cell (SC) topography to determine the influence of SC topography on neurite outgrowth. Four distinct poly(dimethyl siloxane) conduits were fabricated within which DRG explants were cultured. To determine the contribution of SC topographical features to neurite guidance, the extent of neurite outgrowth into unpatterned conduits, conduits with randomly oriented SC replicas, and conduits with SC replicas parallel or perpendicular to the conduit long axis was measured. Neurite directionality and outgrowth from DRG were also quantified on two-dimensional SC replicas with orientations corresponding to the four conduit conditions. Additionally, live SC migration and neurite extension from DRG on SC replicas were examined as a first step toward quantification of the interactions between live SC and navigating neurites on SC replicas. DRG neurite outgrowth and morphology within conduits and on two-dimensional SC replicas were directed by the underlying SC topographical features. Maximal neurite outgrowth and alignment to the underlying features were observed into parallel conduits and on parallel two-dimensional substrates, whereas the least extent of outgrowth was observed into perpendicular conduits and on perpendicular two-dimensional replica conditions. Additionally, neurites on perpendicular conditions turned to extend along the direction of underlying SC topography. Neurite outgrowth exceeded SC migration in the direction of the underlying anisotropic SC replica after two days in culture. This finding confirms the critical role that SC have in guiding neurite outgrowth and suggests that the mechanism of neurite alignment to SC replicas depends on direct contact with cellular topography. These results suggest that SC topographical replicas may be used to direct and optimize neurite alignment, and emphasize the importance of SC features in neurite guidance.

Evaluation of sprayable fixatives on a sandy soil for potential use in a dirty bomb response.

PubMed

Fritz, Brad G; Whitaker, John D

2008-06-01

After the events of 11 September 2001, the possibility of a dirty bomb being detonated within the United States seems more realistic. Development of tools for use in response to a dirty bomb detonation has become a topic of both discussion and research. While it has been reported that the health risk to the public from such an event would likely be small, it is thought that the psychological impact could be considerable. One response option that has been considered is adapting sprayable solutions for the purpose of fixing contamination in place, thereby limiting the spread of contamination by wind and rain and facilitating subsequent cleanup. This work evaluated two commercially available particle fixatives (IsoFIX-HT and IsoFIX-RC) for their effectiveness in preventing dispersal of simulated contamination. Nonradioactive cesium chloride and cobalt oxide particles were selected as the simulated contamination and applied to the surface of three outdoor test plots. Two test plots were treated with fixatives; the third plot provided a control. Samples were collected over 95 days to observe changes in tracer concentration on the surface of the test plots. One fixative (IsoFIX-RC) effectively held the tracer in place with no net loss of tracer, while the other fixative (IsoFIX-HT) had no impact on the loss of tracer relative to the control. Under the conditions tested, IsoFIX-RC appears capable of fixing surface contamination in place for at least several months.

Morphogenesis at the inflorescence shoot apex of Anagallis arvensis: surface geometry and growth in comparison with the vegetative shoot.

PubMed

Kwiatkowska, Dorota; Routier-Kierzkowska, Anne-Lise

2009-01-01

Quantitative analysis of geometry and surface growth based on the sequential replica method is used to compare morphogenesis at the shoot apex of Anagallis arvensis in the reproductive and vegetative phases of development. Formation of three types of lateral organs takes place at the Anagallis shoot apical meristem (SAM): vegetative leaf primordia are formed during the vegetative phase and leaf-like bracts and flower primordia during the reproductive phase. Although the shapes of all the three types of primordia are very similar during their early developmental stages, areal growth rates and anisotropy of apex surface growth accompanying formation of leaf or bract primordia are profoundly different from those during formation of flower primordia. This provides an example of different modes of de novo formation of a given shape. Moreover, growth accompanying the formation of the boundary between the SAM and flower primordium is entirely different from growth at the adaxial leaf or bract primordium boundary. In the latter, areal growth rates at the future boundary are the lowest of all the apex surface, while in the former they are relatively very high. The direction of maximal growth rate is latitudinal (along the future boundary) in the case of leaf or bract primordium but meridional (across the boundary) in the case of flower. The replica method does not enable direct analysis of growth in the direction perpendicular to the apex surface (anticlinal direction). Nevertheless, the reconstructed surfaces of consecutive replicas taken from an individual apex allow general directions of SAM surface bulging accompanying primordium formation to be recognized. Precise alignment of consecutive reconstructions shows that the direction of initial bulging during the leaf or bract formation is nearly parallel to the shoot axis (upward bulging), while in the case of flower it is perpendicular to the axis (lateral bulging). In future, such 3D reconstructions can be used to assess displacement velocity fields so that growth in the anticlinal direction can be assessed. In terms of self-perpetuation, the inflorescence SAM of Anagallis differs from the SAM in the vegetative phase in that the centrally located region of slow growth is less distinct in the inflorescence SAM. Moreover, the position of this slowly growing zone with respect to cells is not stable in the course of the meristem ontogeny.

Parallel replica dynamics with a heterogeneous distribution of barriers: Application to n-hexadecane pyrolysis

NASA Astrophysics Data System (ADS)

Kum, Oyeon; Dickson, Brad M.; Stuart, Steven J.; Uberuaga, Blas P.; Voter, Arthur F.

2004-11-01

Parallel replica dynamics simulation methods appropriate for the simulation of chemical reactions in molecular systems with many conformational degrees of freedom have been developed and applied to study the microsecond-scale pyrolysis of n-hexadecane in the temperature range of 2100-2500 K. The algorithm uses a transition detection scheme that is based on molecular topology, rather than energetic basins. This algorithm allows efficient parallelization of small systems even when using more processors than particles (in contrast to more traditional parallelization algorithms), and even when there are frequent conformational transitions (in contrast to previous implementations of the parallel replica algorithm). The parallel efficiency for pyrolysis initiation reactions was over 90% on 61 processors for this 50-atom system. The parallel replica dynamics technique results in reaction probabilities that are statistically indistinguishable from those obtained from direct molecular dynamics, under conditions where both are feasible, but allows simulations at temperatures as much as 1000 K lower than direct molecular dynamics simulations. The rate of initiation displayed Arrhenius behavior over the entire temperature range, with an activation energy and frequency factor of Ea=79.7 kcal/mol and log A/s-1=14.8, respectively, in reasonable agreement with experiment and empirical kinetic models. Several interesting unimolecular reaction mechanisms were observed in simulations of the chain propagation reactions above 2000 K, which are not included in most coarse-grained kinetic models. More studies are needed in order to determine whether these mechanisms are experimentally relevant, or specific to the potential energy surface used.

Multiple Replica Repulsion Technique for Efficient Conformational Sampling of Biological Systems

PubMed Central

Malevanets, Anatoly; Wodak, Shoshana J.

2011-01-01

Here, we propose a technique for sampling complex molecular systems with many degrees of freedom. The technique, termed “multiple replica repulsion” (MRR), does not suffer from poor scaling with the number of degrees of freedom associated with common replica exchange procedures and does not require sampling at high temperatures. The algorithm involves creation of multiple copies (replicas) of the system, which interact with one another through a repulsive potential that can be applied to the system as a whole or to portions of it. The proposed scheme prevents oversampling of the most populated states and provides accurate descriptions of conformational perturbations typically associated with sampling ground-state energy wells. The performance of MRR is illustrated for three systems of increasing complexity. A two-dimensional toy potential surface is used to probe the sampling efficiency as a function of key parameters of the procedure. MRR simulations of the Met-enkephalin pentapeptide, and the 76-residue protein ubiquitin, performed in presence of explicit water molecules and totaling 32 ns each, investigate the ability of MRR to characterize the conformational landscape of the peptide, and the protein native basin, respectively. Results obtained for the enkephalin peptide reflect more closely the extensive conformational flexibility of this peptide than previously reported simulations. Those obtained for ubiquitin show that conformational ensembles sampled by MRR largely encompass structural fluctuations relevant to biological recognition, which occur on the microsecond timescale, or are observed in crystal structures of ubiquitin complexes with other proteins. MRR thus emerges as a very promising simple and versatile technique for modeling the structural plasticity of complex biological systems. PMID:21843487

Asynchronous Replica Exchange Software for Grid and Heterogeneous Computing.

PubMed

Gallicchio, Emilio; Xia, Junchao; Flynn, William F; Zhang, Baofeng; Samlalsingh, Sade; Mentes, Ahmet; Levy, Ronald M

2015-11-01

Parallel replica exchange sampling is an extended ensemble technique often used to accelerate the exploration of the conformational ensemble of atomistic molecular simulations of chemical systems. Inter-process communication and coordination requirements have historically discouraged the deployment of replica exchange on distributed and heterogeneous resources. Here we describe the architecture of a software (named ASyncRE) for performing asynchronous replica exchange molecular simulations on volunteered computing grids and heterogeneous high performance clusters. The asynchronous replica exchange algorithm on which the software is based avoids centralized synchronization steps and the need for direct communication between remote processes. It allows molecular dynamics threads to progress at different rates and enables parameter exchanges among arbitrary sets of replicas independently from other replicas. ASyncRE is written in Python following a modular design conducive to extensions to various replica exchange schemes and molecular dynamics engines. Applications of the software for the modeling of association equilibria of supramolecular and macromolecular complexes on BOINC campus computational grids and on the CPU/MIC heterogeneous hardware of the XSEDE Stampede supercomputer are illustrated. They show the ability of ASyncRE to utilize large grids of desktop computers running the Windows, MacOS, and/or Linux operating systems as well as collections of high performance heterogeneous hardware devices.

Population control of self-replicating systems

NASA Technical Reports Server (NTRS)

Mccord, R. L.

1982-01-01

The literature concerning fibonacci sequence and the mathematics of self replication are reviewed. One option allows each primary to generate n-replicas, one in each sequential time frame after its own generation with no restrictions on the number of ancestors per replica. The state vector of the replicas in an efficient manner is determined. Option-B has a fixed number of replicas per primary and no restrictions on the number of ancestors for a replica. Any element fij represents the number of elements of type-j in time frame k+1 generated from type-i in time frame k. Option-D is a diagonal matrix whose eigenvalues are precisely those of f.

Conformational sampling enhancement of replica exchange molecular dynamics simulations using swarm particle intelligence

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

Kamberaj, Hiqmet, E-mail: hkamberaj@ibu.edu.mk

In this paper, we present a new method based on swarm particle social intelligence for use in replica exchange molecular dynamics simulations. In this method, the replicas (representing the different system configurations) are allowed communicating with each other through the individual and social knowledge, in additional to considering them as a collection of real particles interacting through the Newtonian forces. The new method is based on the modification of the equations of motion in such way that the replicas are driven towards the global energy minimum. The method was tested for the Lennard-Jones clusters of N = 4,  5, andmore » 6 atoms. Our results showed that the new method is more efficient than the conventional replica exchange method under the same practical conditions. In particular, the new method performed better on optimizing the distribution of the replicas among the thermostats with time and, in addition, ergodic convergence is observed to be faster. We also introduce a weighted histogram analysis method allowing analyzing the data from simulations by combining data from all of the replicas and rigorously removing the inserted bias.« less

Conformational sampling enhancement of replica exchange molecular dynamics simulations using swarm particle intelligence

NASA Astrophysics Data System (ADS)

Kamberaj, Hiqmet

2015-09-01

In this paper, we present a new method based on swarm particle social intelligence for use in replica exchange molecular dynamics simulations. In this method, the replicas (representing the different system configurations) are allowed communicating with each other through the individual and social knowledge, in additional to considering them as a collection of real particles interacting through the Newtonian forces. The new method is based on the modification of the equations of motion in such way that the replicas are driven towards the global energy minimum. The method was tested for the Lennard-Jones clusters of N = 4, 5, and 6 atoms. Our results showed that the new method is more efficient than the conventional replica exchange method under the same practical conditions. In particular, the new method performed better on optimizing the distribution of the replicas among the thermostats with time and, in addition, ergodic convergence is observed to be faster. We also introduce a weighted histogram analysis method allowing analyzing the data from simulations by combining data from all of the replicas and rigorously removing the inserted bias.

Implementation of ISO 10110 optics drawing standards for the National Ignition Facility

NASA Astrophysics Data System (ADS)

Wang, David Y.; English, R. Edward, Jr.; Aikens, David M.

1999-11-01

The National Ignition Facility (NIF) project elected to implement ISO 10110 standard for the specifications of NIF optics drawings in 1996. More than 7,000 NIF large optics and 20,000 NIF small optics will be manufactured based on ISO 10110 indications. ISO 10110 standard meets many of the needs of the NIF optics specifications. It allows the optical engineer to quantify and clearly communicate the desired optical specifications. While no single drawing standard specifies all the requirements of high energy laser system, a combination of ISO 10110 standard with detailed notes make it possible to apply international drawing standards to the NIF laser system. This paper will briefly describe LLNL's interpretation and implementation of the ISO 10110 drawing standard, present some examples of NIF optics drawings, and discuss pros and cons of the indications from the perspective of this application. Emphasis will be given to the surface imperfection specifications, known as 5/, for the NIF optics.

Topological terms, AdS2 n gravity, and renormalized entanglement entropy of holographic CFTs

NASA Astrophysics Data System (ADS)

Anastasiou, Giorgos; Araya, Ignacio J.; Olea, Rodrigo

2018-05-01

We extend our topological renormalization scheme for entanglement entropy to holographic CFTs of arbitrary odd dimensions in the context of the AdS /CFT correspondence. The procedure consists in adding the Chern form as a boundary term to the area functional of the Ryu-Takayanagi minimal surface. The renormalized entanglement entropy thus obtained can be rewritten in terms of the Euler characteristic and the AdS curvature of the minimal surface. This prescription considers the use of the replica trick to express the renormalized entanglement entropy in terms of the renormalized gravitational action evaluated on the conically singular replica manifold extended to the bulk. This renormalized action is obtained in turn by adding the Chern form as the counterterm at the boundary of the 2 n -dimensional asymptotically AdS bulk manifold. We explicitly show that, up to next-to-leading order in the holographic radial coordinate, the addition of this boundary term cancels the divergent part of the entanglement entropy. We discuss possible applications of the method for studying CFT parameters like central charges.

Measurements of drag and flow over biofilm

NASA Astrophysics Data System (ADS)

Hartenberger, Joel; Gose, James W.; Perlin, Marc; Ceccio, Steven L.

2017-11-01

Microbial `slime' biofilms detrimentally affect the performance of every day systems from medical devices to large ocean-going vessels. In flow applications, the presence of biofilm typically results in a drag increase and may alter the turbulence in the adjacent boundary layer. Recent studies emphasize the severity of the drag penalty associated with soft biofouling and suggest potential mechanisms underlying the increase; yet, fundamental questions remain-such as the role played by compliance and the contribution of form drag to the overall resistance experienced by a fouled system. Experiments conducted on live biofilm and 3D printed rigid replicas in the Skin-Friction Flow Facility at the University of Michigan seek to examine these factors. The hydrodynamic performance of the biofilms grown on test panels was evaluated through pressure drop measurements as well as conventional and microscale PIV. High-resolution, 3D rigid replicas of select cases were generated via additive manufacturing using surface profiles obtained from a laser scanning system. Drag and flow measurements will be presented along with details of the growth process and the surface profile characterization method.

Dual-Templated Cobalt Oxide for Photochemical Water Oxidation.

PubMed

Deng, Xiaohui; Bongard, Hans-Josef; Chan, Candace K; Tüysüz, Harun

2016-02-19

Mesoporous Co3 O4 was prepared using a dual templating approach whereby mesopores inside SiO2 nanospheres, as well as the void spaces between the nanospheres, were used as templates. The effect of calcination temperature on the crystallinity, morphology, and textural parameters of the Co3 O4 replica was investigated. The catalytic activity of Co3 O4 for photochemical water oxidation in a [Ru(bpy)3 ](2+) [S2 O8 ](2-) system was evaluated. The Co3 O4 replica calcined at the lowest temperature (150 °C) exhibited the best performance as a result of the unique nanostructure and high surface area arising from the dual templating. The performance of Co3 O4 with highest surface area was further examined in electrochemical water oxidation. Superior activity over high temperature counterpart and decent stability was observed. Furthermore, CoO with identical morphology was prepared from Co3 O4 using an ethanol reduction method and a higher turnover-frequency number for photochemical water oxidation was obtained. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Internal structure analysis of particle-double network gels used in a gel organ replica

NASA Astrophysics Data System (ADS)

Abe, Mei; Arai, Masanori; Saito, Azusa; Sakai, Kazuyuki; Kawakami, Masaru; Furukawa, Hidemitsu

2016-04-01

In recent years, the fabrication of patient organ replicas using 3D printers has been attracting a great deal of attention in medical fields. However, the cost of these organ replicas is very high as it is necessary to employ very expensive 3D printers and printing materials. Here we present a new gel organ replica, of human kidney, fabricated with a conventional molding technique, using a particle-double network hydrogel (P-DN gel). The replica is transparent and has the feel of a real kidney. It is expected that gel organ replicas produced this way will be a useful tool for the education of trainee surgeons and clinical ultrasonography technologists. In addition to developing a gel organ replica, the internal structure of the P-DN gel used is also discussed. Because the P-DN gel has a complex structure comprised of two different types of network, it has not been possible to investigate them internally in detail. Gels have an inhomogeneous network structure. If it is able to get a more uniform structure, it is considered that this would lead to higher strength in the gel. In the present study we investigate the structure of P-DN gel, using the gel organ replica. We investigated the internal structure of P-DN gel using Scanning Microscopic Light Scattering (SMILS), a non-contacting and non-destructive.

Surface roughness evaluation on mandrels and mirror shells for future X-ray telescopes

NASA Astrophysics Data System (ADS)

Sironi, Giorgia; Spiga, D.

2008-07-01

More X-ray missions that will be operating in near future, like particular SIMBOL-X, e-Rosita, Con-X/HXT, SVOM/XIAO and Polar-X, will be based on focusing optics manufactured by means of the Ni electroforming replication technique. This production method has already been successfully exploited for SAX, XMM and Swift-XRT. Optical surfaces for X-ray reflection have to be as smooth as possible also at high spatial frequencies. Hence it will be crucial to take under control microroughness in order to reduce the scattering effects. A high rms microroughness would cause the degradation of the angular resolution and loss of effective area. Stringent requirements have therefore to be fixed for mirror shells surface roughness depending on the specific energy range investigated, and roughness evolution has to be carefully monitored during the subsequent steps of the mirror-shells realization. This means to study the roughness evolution in the chain mandrel, mirror shells, multilayer deposition and also the degradation of mandrel roughness following iterated replicas. Such a study allows inferring which phases of production are the major responsible of the roughness growth and could help to find solutions optimizing the involved processes. The exposed study is carried out in the context of the technological consolidation related to SIMBOL-X, along with a systematic metrological study of mandrels and mirror shells. To monitor the roughness increase following each replica, a multiinstrumental approach was adopted: microprofiles were analysed by means of their Power Spectral Density (PSD) in the spatial frequency range 1000-0.01 μm. This enables the direct comparison of roughness data taken with instruments characterized by different operative ranges of frequencies, and in particular optical interferometers and Atomic Force Microscopes. The performed analysis allowed us to set realistic specifications on the mandrel roughness to be achieved, and to suggest a limit for the maximum number of a replica a mandrel can undergo before being refurbished.

3-D profilometer using a CCD linear image sensor: application to skin surface topography measurement.

PubMed

Nita, D; Mignot, J; Chuard, M; Sofa, M

1998-08-01

Measurement of cutaneous surface topography can be made by three-dimensional (3-D) profilometry. Different equipment is used for this measurement. The magnitude of the vertical scale required, which can vary from several tens of micrometers (microrelief) to several millimeters (skin pathologies), depends also on the precision required and the duration of acquisition time. Over the last few years, different apparatuses have been produced, with a vertical range that is most frequently used for classical industrial applications, i.e., 0-1000 μm. The system developed here has a wide range of about 7 mm and is accurate enough to analyse each of the different skin surfaces that fall in this range without changing magnification. An optical principle, operating without any contact with a skin replica, allows a precise measurement with a high scanning speed. The profilometer has a vertical sensitivity of 4 μm within a vertical range of 7 mm. This sensitivity is lower than that of a mechanical or focusing profilometer, but the vertical range is wider. The system has several advantages: because of its verticale range, it can measure large surfaces with great roughness variations; the initial position of the replica beneath the profilometer must be within the 7 mm vertical range; and skin topography can be quantified, without contact, in a short time.

Manufacture of patient-specific vascular replicas for endovascular simulation using fast, low-cost method

NASA Astrophysics Data System (ADS)

Kaneko, Naoki; Mashiko, Toshihiro; Ohnishi, Taihei; Ohta, Makoto; Namba, Katsunari; Watanabe, Eiju; Kawai, Kensuke

2016-12-01

Patient-specific vascular replicas are essential to the simulation of endovascular treatment or for vascular research. The inside of silicone replica is required to be smooth for manipulating interventional devices without resistance. In this report, we demonstrate the fabrication of patient-specific silicone vessels with a low-cost desktop 3D printer. We show that the surface of an acrylonitrile butadiene styrene (ABS) model printed by the 3D printer can be smoothed by a single dipping in ABS solvent in a time-dependent manner, where a short dip has less effect on the shape of the model. The vascular mold is coated with transparent silicone and then the ABS mold is dissolved after the silicone is cured. Interventional devices can pass through the inside of the smoothed silicone vessel with lower pushing force compared to the vessel without smoothing. The material cost and time required to fabricate the silicone vessel is about USD $2 and 24 h, which is much lower than the current fabrication methods. This fast and low-cost method offers the possibility of testing strategies before attempting particularly difficult cases, while improving the training of endovascular therapy, enabling the trialing of new devices, and broadening the scope of vascular research.

Hollow Microneedles for Intradermal Injection Fabricated by Sacrificial Micromolding and Selective Electrodeposition

PubMed Central

Norman, James J.; Choi, Seong-O; Tong, Nhien T.; Aiyar, Avishek R.; Patel, Samirkumar R.; Prausnitz, Mark R.; Allen, Mark G.

2012-01-01

Limitations with standard intradermal injections have created a clinical need for an alternative, low-cost injection device. In this study, we designed a hollow metal microneedle for reliable intradermal injection and developed a high-throughput micromolding process to produce metal microneedles with complex geometries. To fabricate the microneedles, we laser-ablated a 70 μm × 70 μm square cavity near the tip of poly(lactic acid-co-glyoclic acid) (PLGA) microneedles. The master structure was a template for multiple micromolded PLGA replicas. Each replica was sputtered with a gold seed layer with minimal gold deposited in the cavity due to masking effects. In this way, nickel was electrodeposited selectively outside of the cavity, after which the polymer replica was dissolved to produce a hollow metal microneedle. Force-displacement tests showed the microneedles, with 12 μm thick electrodeposition, could penetrate skin with an insertion force 9 times less than their axial failure force. We injected fluid with the microneedles into pig skin in vitro and hairless guinea pig skin in vivo. The injections targeted 90% of the material within the skin with minimal leakage onto the skin surface. We conclude that hollow microneedles made by this simple microfabrication method can achieve targeted intradermal injection. PMID:23053452

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

DOE PAGES

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.; ...

2018-04-19

Smore » mall 3D perturbations to the magnetic field in DIII-D ( δ B / B ~ 2 × 10 - 4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. Finally, the resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.« less

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

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

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.

Smore » mall 3D perturbations to the magnetic field in DIII-D ( δ B / B ~ 2 × 10 - 4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. Finally, the resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.« less

Helical variation of density profiles and fluctuations in the tokamak pedestal with applied 3D fields and implications for confinement

NASA Astrophysics Data System (ADS)

Wilcox, R. S.; Rhodes, T. L.; Shafer, M. W.; Sugiyama, L. E.; Ferraro, N. M.; Lyons, B. C.; McKee, G. R.; Paz-Soldan, C.; Wingen, A.; Zeng, L.

2018-05-01

Small 3D perturbations to the magnetic field in DIII-D ( δB /B ˜2 ×10-4 ) result in large modulations of density fluctuation amplitudes in the pedestal, which are shown using Doppler backscattering measurements to vary by a factor of 2. Helical perturbations of equilibrium density within flux surfaces have previously been observed in the pedestal of DIII-D plasmas when 3D fields are applied and were correlated with density fluctuation asymmetries in the pedestal. These intra-surface density and pressure variations are shown through two fluid MHD modeling studies using the M3D-C1 code to be due to the misalignment of the density and temperature equilibrium iso-surfaces in the pedestal region. This modeling demonstrates that the phase shift between the two iso-surfaces corresponds to the diamagnetic direction of the two species, with the mass density surfaces shifted in the ion diamagnetic direction relative to the temperature and magnetic flux iso-surfaces. The resulting pedestal density, potential, and turbulence asymmetries within flux surfaces near the separatrix may be at least partially responsible for several poorly understood phenomena that occur with the application of 3D fields in tokamaks, including density pump out and the increase in power required to transition from L- to H-mode.

Replica amplification of nucleic acid arrays

DOEpatents

Church, George M.; Mitra, Robi D.

2010-08-31

Disclosed are improved methods of making and using immobilized arrays of nucleic acids, particularly methods for producing replicas of such arrays. Included are methods for producing high density arrays of nucleic acids and replicas of such arrays, as well as methods for preserving the resolution of arrays through rounds of replication. Also included are methods which take advantage of the availability of replicas of arrays for increased sensitivity in detection of sequences on arrays. Improved methods of sequencing nucleic acids immobilized on arrays utilizing single copies of arrays and methods taking further advantage of the availability of replicas of arrays are disclosed. The improvements lead to higher fidelity and longer read lengths of sequences immobilized on arrays. Methods are also disclosed which improve the efficiency of multiplex PCR using arrays of immobilized nucleic acids.

Bayesian ensemble refinement by replica simulations and reweighting.

PubMed

Hummer, Gerhard; Köfinger, Jürgen

2015-12-28

We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

Design of replica bit line control circuit to optimize power for SRAM

NASA Astrophysics Data System (ADS)

Pengjun, Wang; Keji, Zhou; Huihong, Zhang; Daohui, Gong

2016-12-01

A design of a replica bit line control circuit to optimize power for SRAM is proposed. The proposed design overcomes the limitations of the traditional replica bit line control circuit, which cannot shut off the word line in time. In the novel design, the delay of word line enable and disable paths are balanced. Thus, the word line can be opened and shut off in time. Moreover, the chip select signal is decomposed, which prevents feedback oscillations caused by the replica bit line and the replica word line. As a result, the switch power caused by unnecessary discharging of the bit line is reduced. A 2-kb SRAM is fully custom designed in an SMIC 65-nm CMOS process. The traditional replica bit line control circuit and the new replica bit line control circuit are used in the designed SRAM, and their performances are compared with each other. The experimental results show that at a supply voltage of 1.2 V, the switch power consumption of the memory array can be reduced by 53.7%. Project supported by the Zhejiang Provincial Natural Science Foundation of China (No. LQ14F040001), the National Natural Science Foundation of China (Nos. 61274132, 61234002, 61474068), and the K. C. Wong Magna Fund in Ningbo University.

Bayesian ensemble refinement by replica simulations and reweighting

NASA Astrophysics Data System (ADS)

Hummer, Gerhard; Köfinger, Jürgen

2015-12-01

We describe different Bayesian ensemble refinement methods, examine their interrelation, and discuss their practical application. With ensemble refinement, the properties of dynamic and partially disordered (bio)molecular structures can be characterized by integrating a wide range of experimental data, including measurements of ensemble-averaged observables. We start from a Bayesian formulation in which the posterior is a functional that ranks different configuration space distributions. By maximizing this posterior, we derive an optimal Bayesian ensemble distribution. For discrete configurations, this optimal distribution is identical to that obtained by the maximum entropy "ensemble refinement of SAXS" (EROS) formulation. Bayesian replica ensemble refinement enhances the sampling of relevant configurations by imposing restraints on averages of observables in coupled replica molecular dynamics simulations. We show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas. In the "Bayesian inference of ensembles" method, we combine the replica and EROS approaches to accelerate the convergence. An adaptive algorithm can be used to sample directly from the optimal ensemble, without replicas. We discuss the incorporation of single-molecule measurements and dynamic observables such as relaxation parameters. The theoretical analysis of different Bayesian ensemble refinement approaches provides a basis for practical applications and a starting point for further investigations.

Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations

PubMed Central

Henriksen, Niel M.; Roe, Daniel R.; Cheatham, Thomas E.

2013-01-01

Molecular dynamics force field development and assessment requires a reliable means for obtaining a well-converged conformational ensemble of a molecule in both a time-efficient and cost-effective manner. This remains a challenge for RNA because its rugged energy landscape results in slow conformational sampling and accurate results typically require explicit solvent which increases computational cost. To address this, we performed both traditional and modified replica exchange molecular dynamics simulations on a test system (alanine dipeptide) and an RNA tetramer known to populate A-form-like conformations in solution (single-stranded rGACC). A key focus is on providing the means to demonstrate that convergence is obtained, for example by investigating replica RMSD profiles and/or detailed ensemble analysis through clustering. We found that traditional replica exchange simulations still require prohibitive time and resource expenditures, even when using GPU accelerated hardware, and our results are not well converged even at 2 microseconds of simulation time per replica. In contrast, a modified version of replica exchange, reservoir replica exchange in explicit solvent, showed much better convergence and proved to be both a cost-effective and reliable alternative to the traditional approach. We expect this method will be attractive for future research that requires quantitative conformational analysis from explicitly solvated simulations. PMID:23477537

Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations.

PubMed

Henriksen, Niel M; Roe, Daniel R; Cheatham, Thomas E

2013-04-18

Molecular dynamics force field development and assessment requires a reliable means for obtaining a well-converged conformational ensemble of a molecule in both a time-efficient and cost-effective manner. This remains a challenge for RNA because its rugged energy landscape results in slow conformational sampling and accurate results typically require explicit solvent which increases computational cost. To address this, we performed both traditional and modified replica exchange molecular dynamics simulations on a test system (alanine dipeptide) and an RNA tetramer known to populate A-form-like conformations in solution (single-stranded rGACC). A key focus is on providing the means to demonstrate that convergence is obtained, for example, by investigating replica RMSD profiles and/or detailed ensemble analysis through clustering. We found that traditional replica exchange simulations still require prohibitive time and resource expenditures, even when using GPU accelerated hardware, and our results are not well converged even at 2 μs of simulation time per replica. In contrast, a modified version of replica exchange, reservoir replica exchange in explicit solvent, showed much better convergence and proved to be both a cost-effective and reliable alternative to the traditional approach. We expect this method will be attractive for future research that requires quantitative conformational analysis from explicitly solvated simulations.

Calculation of Protein Heat Capacity from Replica-Exchange Molecular Dynamics Simulations with Different Implicit Solvent Models

DTIC Science & Technology

2008-10-30

rigorous Poisson-based methods generally apply a Lee-Richards mo- lecular surface.9 This surface is considered the de facto description for continuum...definition and calculation of the Born radii. To evaluate the Born radii, two approximations are invoked. The first is the Coulomb field approximation (CFA...energy term, and depending on the particular GB formulation, higher-order non- Coulomb correction terms may be added to the Born radii to account for the

Prospective treatment plan-specific action limits for real-time intrafractional monitoring in surface image guided radiosurgery.

PubMed

Yock, Adam D; Pawlicki, Todd; Kim, Gwe-Ya

2016-07-01

In surface image guided radiosurgery, action limits are created to determine at what point intrafractional motion exhibited by the patient is large enough to warrant intervention. Action limit values remain constant across patients despite the fact that patient motion affects the target coverage of brain metastases differently depending on the planning technique and other treatment plan-specific factors. The purpose of this work was twofold. The first purpose was to characterize the sensitivity of single-met per iso and multimet per iso treatment plans to uncorrected patient motion. The second purpose was to describe a method to prospectively determine treatment plan-specific action limits considering this sensitivity. In their surface image guided radiosurgery technique, patient positioning is achieved with a thermoplastic mask that does not cover the patient's face. The patient's exposed face is imaged by a stereoscopic photogrammetry system. It is then compared to a reference surface and monitored throughout treatment. Seventy-two brain metastases (representing 29 patients) were used for this study. Twenty-five mets were treated individually ("single-met per iso plans"), and 47 were treated in a plan simultaneously with at least one other met ("multimet per iso plans"). For each met, the proportion of the gross tumor volume that remained within the 100% prescription isodose line was estimated under the influence of combinations of translations and rotations (0.0-3.0 mm and 0.0°-3.0°, respectively). The target volume and the prescription dose-volume were considered concentric spheres that each encompassed a volume determined from the treatment plan. Plan-specific contour plots and DVHs were created to illustrate the sensitivity of a specific lesion to uncorrected patient motion. Both single-met per iso and multimet per iso plans exhibited compromised target coverage under translations and rotations, though multimet per iso plans were considerably more sensitive to these transformations (2.3% and 39.8%, respectively). Plan-specific contour plots and DVHs were used to illustrate how size, distance from isocenter, and planning technique affect a particular met's sensitivity to motion. Stereotactic radiosurgery treatment plans that treat multiple brain metastases using a common isocenter are particularly susceptible to compromised target coverage as a result of uncorrected patient motion. The use of such a planning technique along with other treatment plan-specific factors should influence patient motion management. A graphical representation of the effect of translations and rotations on any particular plan can be generated to inform clinicians of the appropriate action limit when monitoring intrafractional motion.

Relationship of boreal summer 10-20-day and 30-60-day intraseasonal oscillation intensity over the tropical western North Pacific to tropical Indo-Pacific SST

NASA Astrophysics Data System (ADS)

Wu, Renguang; Cao, Xi

2017-06-01

The present study contrasts interannual variations in the intensity of boreal summer 10-20-day and 30-60-day intraseasonal oscillations (ISOs) over the tropical western North Pacific and their factors. A pronounced difference is found in the relationship of the two ISOs to El Niño-Southern Oscillation. The 10-20-day ISO intensity is enhanced during El Niño developing summer, whereas the 30-60-day ISO intensity is enhanced during La Niña decaying summer. The above different relationship is interpreted as follows. The equatorial central and eastern Pacific SST anomalies modify vertical wind shear, lower-level moisture, and vertical motion in a southeast-northwest oriented band from the equatorial western Pacific to the tropical western North Pacific where the 10-20-day ISOs originate and propagate. These background field changes modulate the amplitude of 10-20-day ISOs. Preceding equatorial central and eastern Pacific SST anomalies induce SST anomalies in the North Indian Ocean in summer, which in turn modify vertical wind shear and vertical motion over the tropical western North Pacific. The modified background fields influence the amplitude of the 30-60-day ISOs when they reach the tropical western North Pacific from the equatorial region. A feedback of ISO intensity on local SST change is identified in the tropical western North Pacific likely due to a net effect of ISOs on surface heat flux anomalies. This feedback is more prominent from the 10-20-day than the 30-60-day ISO intensity change.

A computational method for sharp interface advection.

PubMed

Roenby, Johan; Bredmose, Henrik; Jasak, Hrvoje

2016-11-01

We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face-interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM ® extension and is published as open source.

Rapid prototyping to create vascular replicas from CT scan data: making tools to teach, rehearse, and choose treatment strategies.

PubMed

Knox, K; Kerber, Charles W; Singel, S A; Bailey, M J; Imbesi, S G

2005-05-01

Our goal was to develop and prove the accuracy of a system that would allow us to re-create live patient arterial pathology. Anatomically accurate replicas of blood vessels could allow physicians to teach and practice dangerous interventional techniques and might also be used to gather basic physiologic information. The preparation of replicas has, until now, depended on acquisition of fresh cadaver material. Using rapid prototyping, it should be able to replicate vascular pathology in a live patient. We obtained CT angiographic scan data from two patients with known arterial abnormalities. We took such data and, using proprietary software, created a 3D replica using a commercially available rapid prototyping machine. From the prototypes, using a lost wax technique, we created vessel replicas, placed those replicas in the CT scanner, then compared those images with the original scans. Comparison of the images made directly from the patient and from the replica showed that with each step, the relationships were maintained, remaining within 3% of the original, but some smoothing occurred in the final computer manipulation. From routinely obtainable CT angiographic data, it is possible to create accurate replicas of human vascular pathology with the aid of commercially available stereolithography equipment. Visual analysis of the images appeared to be as important as the measurements. With 64 and 128 slice detector scanners becoming available, acquisition times fall enough that we should be able to model rapidly moving structures such as the aortic root. (c) 2005 Wiley-Liss, Inc.

Flexible Nonstick Replica Mold for Transfer Printing of Ag Ink.

PubMed

Lee, Bong Kuk; Yu, Han Young; Kim, Yarkyeon; Yoon, Yong Sun; Jang, Won Ik; Do, Lee-Mi; Park, Ji-Ho; Park, Jaehoon

2016-03-01

We report the fabrication of flexible replica molds for transfer printing of Ag ink on a rigid glass substrate. As mold precursors, acrylic mixtures were prepared from silsesquioxane-based materials, silicone acrylate, poly(propylene glycol) diacrylate, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluorodecyl methacrylate, and photoinitiator. By using these materials, the replica molds were fabricated from a silicon master onto a flexible substrate by means of UV-assisted molding process at room temperature. The wettability of Ag ink decreased with increase in the water contact angle of replica molds. On the other hand, the transfer rate of Ag ink onto adhesive-modified substrates increased with increase in the water contact angle of replica molds. Transferred patterns were found to be thermally stable on the photocurable adhesive layer, whereas Ag-ink patterns transferred on non-photocurable adhesives were distorted by thermal treatment. We believe that these characteristics of replica molds and adhesives offer a new strategy for the development of the transfer printing of solution-based ink materials.

Shaping ability of reciproc and TF adaptive systems in severely curved canals of rapid microCT-based prototyping molar replicas.

PubMed

Ordinola-Zapata, Ronald; Bramante, Clovis Monteiro; Duarte, Marco Antonio Húngaro; Cavenago, Bruno Cavalini; Jaramillo, David; Versiani, Marco Aurélio

2014-01-01

To evaluate the shaping ability of Reciproc and Twisted-File Adaptive systems in rapid prototyping replicas. Two mandibular molars showing S-shaped and 62-degree curvatures in the mesial root were scanned by using a microcomputed tomography (μCT) system. The data were exported in the stereolitograhic format and 20 samples of each molar were printed at 16 µm resolution. The mesial canals of 10 replicas of each specimen were prepared with each system. Transportation was measured by overlapping radiographs taken before and after preparation and resin thickness after instrumentation was measured by μCT. Both systems maintained the original shape of the apical third in both anatomies (P>0.05). Overall, considering the resin thickness in the 62-degree replicas, no statistical difference was found between the systems (P>0.05). In the S-shaped curvature replica, Reciproc significantly decreased the thickness of the resin walls in comparison with TF Adaptive. The evaluated systems were able to maintain the original shape at the apical third of severely curved mesial canals of molar replicas.

Automated surface quality inspection with ARGOS: a case study

NASA Astrophysics Data System (ADS)

Kiefhaber, Daniel; Etzold, Fabian; Warken, Arno F.; Asfour, Jean-Michel

2017-06-01

The commercial availability of automated inspection systems for optical surfaces specified according to ISO 10110-7 promises unsupervised and automated quality control with reproducible results. In this study, the classification results of the ARGOS inspection system are compared to the decisions by well-trained inspectors based on manual-visual inspection. Both are found to agree in 93.6% of the studied cases. Exemplary cases with differing results are studied, and shown to be partly caused by shortcomings of the ISO 10110-7 standard, which was written for the industry standard manual-visual inspection. Applying it to high resolution images of the whole surface of objective machine vision systems brings with it a few challenges which are discussed.

New options for optical quality tolerances

NASA Astrophysics Data System (ADS)

Aikens, Dave

2017-11-01

The optics community has long recognized the problems of misinterpretation of the surface quality specification and the potential for conflict1-2. Finally in 2017 there are new versions of the ISO and ANSI standards for surface imperfection tolerances which provide vastly improved alternatives to the existing options, especially the use of the US Military standard for specifying optical quality tolerances. This paper will review the existing standards in common use for specifying surface imperfections, and then describe in detail the new versions of the ISO and ANSI standards which are available in 2017. The details of the notations and inspection methods for each of the optics specifications will be provided, and the differences between the various alternatives will be discussed.

Accelerating the Convergence of Replica Exchange Simulations Using Gibbs Sampling and Adaptive Temperature Sets

DOE PAGES

Vogel, Thomas; Perez, Danny

2015-08-28

We recently introduced a novel replica-exchange scheme in which an individual replica can sample from states encountered by other replicas at any previous time by way of a global configuration database, enabling the fast propagation of relevant states through the whole ensemble of replicas. This mechanism depends on the knowledge of global thermodynamic functions which are measured during the simulation and not coupled to the heat bath temperatures driving the individual simulations. Therefore, this setup also allows for a continuous adaptation of the temperature set. In this paper, we will review the new scheme and demonstrate its capability. Furthermore, themore » method is particularly useful for the fast and reliable estimation of the microcanonical temperature T(U) or, equivalently, of the density of states g(U) over a wide range of energies.« less

Label free biosensor incorporating a replica-molded, vertically emitting distributed feedback laser

NASA Astrophysics Data System (ADS)

Lu, M.; Choi, S. S.; Wagner, C. J.; Eden, J. G.; Cunningham, B. T.

2008-06-01

A label free biosensor based upon a vertically emitting distributed feedback (DFB) laser has been demonstrated. The DFB laser comprises a replica-molded, one-dimensional dielectric grating coated with laser dye-doped polymer as the gain medium. Adsorption of biomolecules onto the laser surface alters the DFB laser emission wavelength, thereby permitting the kinetic adsorption of a protein polymer monolayer or the specific binding of small molecules to be quantified. A bulk sensitivity of 16.6nm per refractive index unit and the detection of a monolayer of the protein polymer poly(Lys, Phe) have been observed with this biosensor. The sensor represents a departure from conventional passive resonant optical sensors from the standpoint that the device actively generates its own narrowband high intensity output without stringent requirements on the coupling alignments, resulting in a simple, robust illumination and detection configuration.

Renormalization of entanglement entropy from topological terms

NASA Astrophysics Data System (ADS)

Anastasiou, Giorgos; Araya, Ignacio J.; Olea, Rodrigo

2018-05-01

We propose a renormalization scheme for entanglement entropy of three-dimensional CFTs with a four-dimensional asymptotically AdS gravity dual in the context of the gauge/gravity correspondence. The procedure consists in adding the Chern form as a boundary term to the area functional of the Ryu-Takayanagi minimal surface. We provide an explicit prescription for the renormalized entanglement entropy, which is derived via the replica trick. This is achieved by considering a Euclidean gravitational action renormalized by the addition of the Chern form at the spacetime boundary, evaluated in the conically-singular replica manifold. We show that the addition of this boundary term cancels the divergent part of the entanglement entropy, recovering the results obtained by Taylor and Woodhead. We comment on how this prescription for renormalizing the entanglement entropy is in line with the general program of topological renormalization in asymptotically AdS gravity.

Adaptively biased molecular dynamics for free energy calculations

NASA Astrophysics Data System (ADS)

Babin, Volodymyr; Roland, Christopher; Sagui, Celeste

2008-04-01

We present an adaptively biased molecular dynamics (ABMD) method for the computation of the free energy surface of a reaction coordinate using nonequilibrium dynamics. The ABMD method belongs to the general category of umbrella sampling methods with an evolving biasing potential and is inspired by the metadynamics method. The ABMD method has several useful features, including a small number of control parameters and an O(t ) numerical cost with molecular dynamics time t. The ABMD method naturally allows for extensions based on multiple walkers and replica exchange, where different replicas can have different temperatures and/or collective variables. This is beneficial not only in terms of the speed and accuracy of a calculation, but also in terms of the amount of useful information that may be obtained from a given simulation. The workings of the ABMD method are illustrated via a study of the folding of the Ace-GGPGGG-Nme peptide in a gaseous and solvated environment.

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

PubMed

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

Efficiency of exchange schemes in replica exchange

NASA Astrophysics Data System (ADS)

Lingenheil, Martin; Denschlag, Robert; Mathias, Gerald; Tavan, Paul

2009-08-01

In replica exchange simulations a fast diffusion of the replicas through the temperature space maximizes the efficiency of the statistical sampling. Here, we compare the diffusion speed as measured by the round trip rates for four exchange algorithms. We find different efficiency profiles with optimal average acceptance probabilities ranging from 8% to 41%. The best performance is determined by benchmark simulations for the most widely used algorithm, which alternately tries to exchange all even and all odd replica pairs. By analytical mathematics we show that the excellent performance of this exchange scheme is due to the high diffusivity of the underlying random walk.

Silicon diatom frustules as nanostructured photoelectrodes.

PubMed

Chandrasekaran, Soundarrajan; Sweetman, Martin J; Kant, Krishna; Skinner, William; Losic, Dusan; Nann, Thomas; Voelcker, Nicolas H

2014-09-18

In the quest for solutions to meeting future energy demands, solar fuels play an important role. A particularly promising example is photocatalysis since even incremental improvements in performance in this process are bound to translate into significant cost benefits. Here, we report that semiconducting and high surface area 3D silicon replicas prepared from abundantly available diatom fossils sustain photocurrents and enable solar energy conversion.

Relationship between the Amount of Bitter Substances Adsorbed onto Lipid/Polymer Membrane and the Electric Response of Taste Sensors

PubMed Central

Toko, Kiyoshi; Hara, Daichi; Tahara, Yusuke; Yasuura, Masato; Ikezaki, Hidekazu

2014-01-01

The bitterness of bitter substances can be measured by the change in the membrane electric potential caused by adsorption (CPA) using a taste sensor (electronic tongue). In this study, we examined the relationship between the CPA value due to an acidic bitter substance and the amount of the bitter substance adsorbed onto lipid/polymer membranes, which contain different lipid contents, used in the taste sensor. We used iso-α-acid which is an acidic bitter substance found in several foods and beverages. The amount of adsorbed iso-α-acid, which was determined by spectroscopy, showed a maximum at the lipid concentration 0.1 wt % of the membrane, and the same phenomenon was observed for the CPA value. At the higher lipid concentration, however, the amount adsorbed decreased and then remained constant, while the CPA value decreased monotonically to zero. This constant adsorption amount was observed when the membrane potential in the reference solution did not change with increasing lipid concentration. The decrease in CPA value in spite of the constant adsorption amount is caused by a decrease in the sensitivity of the membrane as the surface charge density increases. The reason why the peaks appeared in both the CPA value and adsorption amount is based on the contradictory adsorption properties of iso-α-acid. The increasing charged lipid concentration of the membrane causes an increasing electrostatic attractive interaction between iso-α-acid and the membrane, but simultaneously causes a decreasing hydrophobic interaction that results in decreasing adsorption of iso-α-acid, which also has hydrophobic properties, onto the membrane. Estimates of the amount of adsorption suggest that iso-α-acid molecules are adsorbed onto both the surface and interior of the membrane. PMID:25184491

Nuclear research emulsion neutron spectrometry at the Little-Boy replica

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

Gold, R.; Roberts, J.H.; Preston, C.C.

Nuclear research emulsions (NRE) have been used to characterize the neutron spectrum emitted by the Little-Boy replica. NRE were irradiated at the Little-Boy surface as well as approximately 2 m from the center of the Little-Boy replica using polar angles of 0/sup 0/, 30/sup 0/, 60/sup 0/ and 90/sup 0/. For the NRE exposed at 2 m, neutron background was determined using shadow shields of borated polyethylene. Emulsion scanning to date has concentrated exclusively on the 2-m, 0/sup 0/ and 2-m, 90/sup 0/ locations. Approximately 5000 proton-recoil tracks have been measured in NRE irradiated at each of these locations. Neutronmore » spectra obtained from these NRE proton-recoil spectra are compared with both liquid scintillator neutron spectrometry and Monte Carlo calculations. NRE and liquid scintillator neutron spectra generally agree within experimental uncertainties at the 2-m, 90/sup 0/ location. However, at the 2-m, 0/sup 0/ location, the neutron spectra derived from these two independent experimental methods differ significantly. NRE spectra and Monte Carlo calculations exhibit general agreement with regard to both intensity as well as energy dependence. Better agreement is attained between theory and experiment at the 2-m, 90/sup 0/ location, where the neutron intensity is considerably higher. 14 refs., 18 figs., 11 tabs.« less

Shaping ability of Reciproc and TF Adaptive systems in severely curved canals of rapid microCT-based prototyping molar replicas

PubMed Central

ORDINOLA-ZAPATA, Ronald; BRAMANTE, Clovis Monteiro; DUARTE, Marco Antonio Húngaro; CAVENAGO, Bruno Cavalini; JARAMILLO, David; VERSIANI, Marco Aurélio

2014-01-01

Objective: To evaluate the shaping ability of Reciproc and Twisted-File Adaptive systems in rapid prototyping replicas. Material and Methods: Two mandibular molars showing S-shaped and 62-degree curvatures in the mesial root were scanned by using a microcomputed tomography (μCT) system. The data were exported in the stereolitograhic format and 20 samples of each molar were printed at 16 µm resolution. The mesial canals of 10 replicas of each specimen were prepared with each system. Transportation was measured by overlapping radiographs taken before and after preparation and resin thickness after instrumentation was measured by μCT. Results: Both systems maintained the original shape of the apical third in both anatomies (P>0.05). Overall, considering the resin thickness in the 62-degree replicas, no statistical difference was found between the systems (P>0.05). In the S-shaped curvature replica, Reciproc significantly decreased the thickness of the resin walls in comparison with TF Adaptive. Conclusions: The evaluated systems were able to maintain the original shape at the apical third of severely curved mesial canals of molar replicas. PMID:24918662

Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations.

PubMed

Ostermeir, Katja; Zacharias, Martin

2014-12-01

Coarse-grained elastic network models (ENM) of proteins offer a low-resolution representation of protein dynamics and directions of global mobility. A Hamiltonian-replica exchange molecular dynamics (H-REMD) approach has been developed that combines information extracted from an ENM analysis with atomistic explicit solvent MD simulations. Based on a set of centers representing rigid segments (centroids) of a protein, a distance-dependent biasing potential is constructed by means of an ENM analysis to promote and guide centroid/domain rearrangements. The biasing potentials are added with different magnitude to the force field description of the MD simulation along the replicas with one reference replica under the control of the original force field. The magnitude and the form of the biasing potentials are adapted during the simulation based on the average sampled conformation to reach a near constant biasing in each replica after equilibration. This allows for canonical sampling of conformational states in each replica. The application of the methodology to a two-domain segment of the glycoprotein 130 and to the protein cyanovirin-N indicates significantly enhanced global domain motions and improved conformational sampling compared with conventional MD simulations. © 2014 Wiley Periodicals, Inc.

Surface modification using the biomimetic method in alumina-zirconia porous ceramics obtained by the replica method.

PubMed

Silva, André D R; Rigoli, Willian R; Osiro, Denise; Mello, Daphne C R; Vasconcellos, Luana M R; Lobo, Anderson O; Pallone, Eliria M J A

2018-01-12

The modification of biomaterials approved by the Food and Drug Administration could be an alternative to reduce the period of use in humans. Porous bioceramics are widely used as support structures for bone formation and repair. This composite has essential characteristics for an implant, including good mechanical properties, high chemical stability, biocompatibility and adequate aesthetic appearance. Here, three-dimensional porous scaffolds of Al 2 O 3 containing 5% by volume of ZrO 2 were produced by the replica method. These scaffolds had their surfaces chemically treated with phosphoric acid and were coated with calcium phosphate using the biomimetic method simulated body fluid (SBF, 5×) for 14 days. The scaffolds, before and after biomimetic coating, were characterized mechanically, morphologically and structurally by axial compression tests, scanning electron microscopy, microtomography, apparent porosity, X-ray diffractometry, near-infrared spectroscopy, inductively coupled plasma optical emission spectroscopy, energy dispersive X-ray spectroscopy and reactivity. The in vitro cell viability and formation of mineralization nodules were used to identify the potential for bone regeneration. The produced scaffols after immersion in SBF were able to induce the nodules formation. These characteristics are advantaged by the formation of different phases of calcium phosphates on the material surface in a reduced incubation period. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2018. © 2018 Wiley Periodicals, Inc.

Shrink-wrapped isosurface from cross sectional images

PubMed Central

Choi, Y. K.; Hahn, J. K.

2010-01-01

Summary This paper addresses a new surface reconstruction scheme for approximating the isosurface from a set of tomographic cross sectional images. Differently from the novel Marching Cubes (MC) algorithm, our method does not extract the iso-density surface (isosurface) directly from the voxel data but calculates the iso-density point (isopoint) first. After building a coarse initial mesh approximating the ideal isosurface by the cell-boundary representation, it metamorphoses the mesh into the final isosurface by a relaxation scheme, called shrink-wrapping process. Compared with the MC algorithm, our method is robust and does not make any cracks on surface. Furthermore, since it is possible to utilize lots of additional isopoints during the surface reconstruction process by extending the adjacency definition, theoretically the resulting surface can be better in quality than the MC algorithm. According to experiments, it is proved to be very robust and efficient for isosurface reconstruction from cross sectional images. PMID:20703361

Development of isothermal-isobaric replica-permutation method for molecular dynamics and Monte Carlo simulations and its application to reveal temperature and pressure dependence of folded, misfolded, and unfolded states of chignolin

NASA Astrophysics Data System (ADS)

Yamauchi, Masataka; Okumura, Hisashi

2017-11-01

We developed a two-dimensional replica-permutation molecular dynamics method in the isothermal-isobaric ensemble. The replica-permutation method is a better alternative to the replica-exchange method. It was originally developed in the canonical ensemble. This method employs the Suwa-Todo algorithm, instead of the Metropolis algorithm, to perform permutations of temperatures and pressures among more than two replicas so that the rejection ratio can be minimized. We showed that the isothermal-isobaric replica-permutation method performs better sampling efficiency than the isothermal-isobaric replica-exchange method and infinite swapping method. We applied this method to a β-hairpin mini protein, chignolin. In this simulation, we observed not only the folded state but also the misfolded state. We calculated the temperature and pressure dependence of the fractions on the folded, misfolded, and unfolded states. Differences in partial molar enthalpy, internal energy, entropy, partial molar volume, and heat capacity were also determined and agreed well with experimental data. We observed a new phenomenon that misfolded chignolin becomes more stable under high-pressure conditions. We also revealed this mechanism of the stability as follows: TYR2 and TRP9 side chains cover the hydrogen bonds that form a β-hairpin structure. The hydrogen bonds are protected from the water molecules that approach the protein as the pressure increases.

Enhanced Conformational Sampling of N-Glycans in Solution with Replica State Exchange Metadynamics.

PubMed

Galvelis, Raimondas; Re, Suyong; Sugita, Yuji

2017-05-09

Molecular dynamics (MD) simulation of a N-glycan in solution is challenging because of high-energy barriers of the glycosidic linkages, functional group rotational barriers, and numerous intra- and intermolecular hydrogen bonds. In this study, we apply different enhanced conformational sampling approaches, namely, metadynamics (MTD), the replica-exchange MD (REMD), and the recently proposed replica state exchange MTD (RSE-MTD), to a N-glycan in solution and compare the conformational sampling efficiencies of the approaches. MTD helps to cross the high-energy barrier along the ω angle by utilizing a bias potential, but it cannot enhance sampling of the other degrees of freedom. REMD ensures moderate-energy barrier crossings by exchanging temperatures between replicas, while it hardly crosses the barriers along ω. In contrast, RSE-MTD succeeds to cross the high-energy barrier along ω as well as to enhance sampling of the other degrees of freedom. We tested two RSE-MTD schemes: in one scheme, 64 replicas were simulated with the bias potential along ω at different temperatures, while simulations of four replicas were performed with the bias potentials for different CVs at 300 K. In both schemes, one unbiased replica at 300 K was included to compute conformational properties of the glycan. The conformational sampling of the former is better than the other enhanced sampling methods, while the latter shows reasonable performance without spending large computational resources. The latter scheme is likely to be useful when a N-glycan-attached protein is simulated.

Evaluation of new in vitro efficacy test for antimicrobial surface activity reflecting UK hospital conditions.

PubMed

Ojeil, M; Jermann, C; Holah, J; Denyer, S P; Maillard, J-Y

2013-12-01

Antimicrobial surfaces aim to reduce microbial bioburden and improve hygiene. The current antimicrobial surface efficacy test (ISO22196) is an initial screening test but its conditions, high temperature (37°C) and relative humidity (RH) (100%) bear little relationship to in-use conditions. To develop an antimicrobial surface efficacy test providing a realistic second-tier test, simulating in-use conditions. Surface relative humidity, temperature and soiling were measured over one year at a UK hospital, enabling realistic parameters to be set for our surface efficacy test. A nebulizer, connected to a cascade impactor, aerosolized and uniformly deposited a Staphylococcus aureus suspension over test copper alloys and control stainless steel surfaces. Bacteria were enumerated following nebulization, and after a range of contact times, under [20°C, 50% RH] and [20°C, 40% RH] parameters reflecting in-use conditions; [37°C, 100% RH] was employed to reflect conditions used in ISO22196. All copper alloys produced a >4 log10 reduction after 24h under all conditions tested. Copper alloys were more effective at [37°C, 100% RH] showing a >4 log10 reduction after 30 min than at in-use conditions [20°C, 50% RH and 20°C, 40% RH], for which 60 min was required to achieve the same level of kill, for most but not all alloys. The use of the nebulizer to deposit bacterial inocula on surfaces showed little variability in results. Our method was more discriminatory than the ISO22196 enabling distinction between the bactericidal surface activity, which allows for a more rigorous selection of antimicrobial surfaces for potential use in healthcare settings. Copyright © 2013 The Healthcare Infection Society. Published by Elsevier Ltd. All rights reserved.

A computational method for sharp interface advection

PubMed Central

Bredmose, Henrik; Jasak, Hrvoje

2016-01-01

We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face–interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM® extension and is published as open source. PMID:28018619

Using MountainsMap (Digital Surf) surface analysis software as an analysis tool for x-ray mirror optical metrology data

NASA Astrophysics Data System (ADS)

Duffy, Alan; Yates, Brian; Takacs, Peter

2012-09-01

The Optical Metrology Facility at the Canadian Light Source (CLS) has recently purchased MountainsMap surface analysis software from Digital Surf and we report here our experiences with this package and its usefulness as a tool for examining metrology data of synchrotron x-ray mirrors. The package has a number of operators that are useful for determining surface roughness and slope error including compliance with ISO standards (viz. ISO 4287 and ISO 25178). The software is extensible with MATLAB scripts either by loading an m-file or by a user written script. This makes it possible to apply a custom operator to measurement data sets. Using this feature we have applied the simple six-line MATLAB code for the direct least square fitting of ellipses developed by Fitzgibbon et. al. to investigate the residual slope error of elliptical mirrors upon the removal of the best-fit-ellipse. The software includes support for many instruments (e.g. Zygo, MicroMap, etc...) and can import ASCII data (e.g. LTP data). The stitching module allows the user to assemble overlapping images and we report on our experiences with this feature applied to MicroMap surface roughness data. The power spectral density function was determined for the stitched and unstitched data and compared.

Deep-water measurements of container ship radiated noise signatures and directionality.

PubMed

Gassmann, Martin; Wiggins, Sean M; Hildebrand, John A

2017-09-01

Underwater radiated noise from merchant ships was measured opportunistically from multiple spatial aspects to estimate signature source levels and directionality. Transiting ships were tracked via the Automatic Identification System in a shipping lane while acoustic pressure was measured at the ships' keel and beam aspects. Port and starboard beam aspects were 15°, 30°, and 45° in compliance with ship noise measurements standards [ANSI/ASA S12.64 (2009) and ISO 17208-1 (2016)]. Additional recordings were made at a 10° starboard aspect. Source levels were derived with a spherical propagation (surface-affected) or a modified Lloyd's mirror model to account for interference from surface reflections (surface-corrected). Ship source depths were estimated from spectral differences between measurements at different beam aspects. Results were exemplified with a 4870 and a 10 036 twenty-foot equivalent unit container ship at 40%-56% and 87% of service speeds, respectively. For the larger ship, opportunistic ANSI/ISO broadband levels were 195 (surface-affected) and 209 (surface-corrected) dB re 1 μPa 2 1 m. Directionality at a propeller blade rate of 8 Hz exhibited asymmetries in stern-bow (<6 dB) and port-starboard (<9 dB) direction. Previously reported broadband levels at 10° aspect from McKenna, Ross, Wiggins, and Hildebrand [(2012b). J. Acoust. Soc. Am. 131, 92-103] may be ∼12 dB lower than respective surface-affected ANSI/ISO standard derived levels.

Shape-preserving transformations of organic matter and compositions thereof

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

Kaehr, Bryan J.; Meyer, Kristin; Townson, Jason L.

The present invention relates to methods of transforming organic matter into organic-inorganic composites, inorganic replicas, or conductive replicas. Organic matter, such as biological cells and tissue and organs, can be converted into such composites and replicas using the methods described herein. In particular, such methods transform organic matter (into inorganic, organic-inorganic, or conductive constructs), while simultaneously preserving microscopic and/or macroscopic structural detail.

An ultrastructural analysis of the epithelial-fiber interface (EFI) in primate lenses.

PubMed

Kuszak, J R; Novak, L A; Brown, H G

1995-11-01

The purpose of this study was to conduct a comprehensive ultrastructural analysis of the epithelial-fiber interface (EFI) in normal adult primate (Macaque nemestrina and fascicularis; 6-9 years old, n = 10) lenses. Scanning electron microscopy (SEM) was used to initially characterize the gross size, shape and three-dimensional organization of central zone (cz) epithelial cells and the anterior ends of elongating fibers beneath these cells. This fiducial information was essential to properly orient lens pieces in freeze fracture specimen carriers for the production of replicas with unambiguously identifiable EFI. Transmission electron microscopy (TEM) of replicas and thin-sectioned material were used to ultrastructurally analyse the cz EFI. TEM thin-sectioned material was also used to ultrastructurally analyse the pregerminative (pgz), germinative (gz) and transitional zone (tz) EFI. Correlative SEM and TEM of cz EFI components revealed that the apical membrane of both epithelial and elongating fiber cells were irregularly polygonal in shape, and aligned in parallel as smooth, concave-convex surfaces. However, whereas epithelial cell apical surfaces had minimal size variation, elongating fibers were larger and considerably variable in size. Quantitative analysis of > 10000 micron2 cz elongating fiber apical surfaces failed to detect any gap junctions defined in freeze fracture replicas as complementary aggregates of transmembrane proteins (connexons) conjoined across a narrowed extracellular space. However, a comparable frequency of vesicular events was noted in this region as quantified previously in adult and embryonic chick lens. Correlative TEM analysis > 1500 linear micrometers of thin-sectioned EFI from this region confirmed the presence of epithelial-epithelial gap junctions, elongating fiber-elongating fiber gap junctions, and an extreme paucity of epithelial-elongating fiber gap junctions. In contrast, TEM analysis of > 1000 linear micrometers of thin-sectioned pgz, gz and tz EFI, confirmed the presence of epithelial-epithelial gap junctions, elongating fiber-elongating fiber gap junctions, numerous epithelial-elongating fiber adherens junctions and a few epithelial-elongating fiber gap junctions. Thus, the results of this and previous quantitative morphological and physiological studies (electronic and dye coupling) demonstrate that there is limited coupling between cz epithelial cells and underlying elongating fibers. Furthermore, the absence of gap junctional plaques in cz EFI freeze-fracture replicas and either pentalaminar or septalaminar profiles in correlative thin-sections, suggests that this limited coupling could be mediated via isolated gap junction channels. However, the results of this and previous quantitative studies further show that a greater degree of coupling exists across the pgz, gz and tz regions of the EFI and that this coupling is likely to be mediated by gap junction plaques. Finally, this and other studies continue to demonstrate that transcytotic processes play a role in lens physiology at the EFI.

The Influence of Structure Heights and Opening Angles of Micro- and Nanocones on the Macroscopic Surface Wetting Properties

NASA Astrophysics Data System (ADS)

Schneider, Ling; Laustsen, Milan; Mandsberg, Nikolaj; Taboryski, Rafael

2016-02-01

We discuss the influence of surface structure, namely the height and opening angles of nano- and microcones on the surface wettability. We show experimental evidence that the opening angle of the cones is the critical parameter on sample superhydrophobicity, namely static contact angles and roll-off angles. The textured surfaces are fabricated on silicon wafers by using a simple one-step method of reactive ion etching at different processing time and gas flow rates. By using hydrophobic coating or hydrophilic surface treatment, we are able to switch the surface wettability from superhydrophilic to superhydrophobic without altering surface structures. In addition, we show examples of polymer replicas (polypropylene and poly(methyl methacrylate) with different wettability, fabricated by injection moulding using templates of the silicon cone-structures.

Approximate message passing for nonconvex sparse regularization with stability and asymptotic analysis

NASA Astrophysics Data System (ADS)

Sakata, Ayaka; Xu, Yingying

2018-03-01

We analyse a linear regression problem with nonconvex regularization called smoothly clipped absolute deviation (SCAD) under an overcomplete Gaussian basis for Gaussian random data. We propose an approximate message passing (AMP) algorithm considering nonconvex regularization, namely SCAD-AMP, and analytically show that the stability condition corresponds to the de Almeida-Thouless condition in spin glass literature. Through asymptotic analysis, we show the correspondence between the density evolution of SCAD-AMP and the replica symmetric (RS) solution. Numerical experiments confirm that for a sufficiently large system size, SCAD-AMP achieves the optimal performance predicted by the replica method. Through replica analysis, a phase transition between replica symmetric and replica symmetry breaking (RSB) region is found in the parameter space of SCAD. The appearance of the RS region for a nonconvex penalty is a significant advantage that indicates the region of smooth landscape of the optimization problem. Furthermore, we analytically show that the statistical representation performance of the SCAD penalty is better than that of \

Automated magnification calibration in transmission electron microscopy using Fourier analysis of replica images.

PubMed

van der Laak, Jeroen A W M; Dijkman, Henry B P M; Pahlplatz, Martin M M

2006-03-01

The magnification factor in transmission electron microscopy is not very precise, hampering for instance quantitative analysis of specimens. Calibration of the magnification is usually performed interactively using replica specimens, containing line or grating patterns with known spacing. In the present study, a procedure is described for automated magnification calibration using digital images of a line replica. This procedure is based on analysis of the power spectrum of Fourier transformed replica images, and is compared to interactive measurement in the same images. Images were used with magnification ranging from 1,000 x to 200,000 x. The automated procedure deviated on average 0.10% from interactive measurements. Especially for catalase replicas, the coefficient of variation of automated measurement was considerably smaller (average 0.28%) compared to that of interactive measurement (average 3.5%). In conclusion, calibration of the magnification in digital images from transmission electron microscopy may be performed automatically, using the procedure presented here, with high precision and accuracy.

Crystal Ball Replica

NASA Astrophysics Data System (ADS)

Ajamian, John

2016-09-01

The A2 collaboration of the Institute for Nuclear Physics of Johannes Gutenberg University performs research on (multiple) meson photoproduction and nucleon structure and dynamics using a high energy polarized photon beam at specific targets. Particles scattered from the target are detected in the Crystal Ball, or CB. The CB is composed of 672 NaI crystals that surround the target and can analyze particle type and energy of ejected particles. Our project was to create a replica of the CB that could display what was happening in real time on a 3 Dimensional scale replica. Our replica was constructed to help explain the physics to the general public, be used as a tool when calibrating each of the 672 NaI crystals, and to better analyze the electron showering of particles coming from the target. This poster will focus on the hardware steps necessary to construct the replica and wire the 672 programmable LEDS in such a way that they can be mapped to correspond to the Crystal Ball elements. George Washington NSF Grant.

Application of Replica Technique and SEM in Accuracy Measurement of Ceramic Crowns

NASA Astrophysics Data System (ADS)

Trifkovic, B.; Budak, I.; Todorovic, A.; Hodolic, J.; Puskar, T.; Jevremovic, D.; Vukelic, D.

2012-01-01

The paper presents a comparative study of the measuring values of the marginal gap related to the ceramic crowns made by dental CAD/CAM system using the replica technique and SEM. The study was conducted using three experimental groups, which consisted of ceramic crowns manufactured by the Cerec CAD/CAM system. The scanning procedure was carried out using three specialized dental 3D digitization systems from the Cerec family - two types of extraoral optical scanning systems and an intraoral optical scanner. Measurements of the marginal gap were carried out using the replica technique and SEM. The comparison of aggregate values of the marginal gap using the replica technique showed a statistically significant difference between the systems. The measured values of marginal gaps of ceramic crowns using the replica technique were significantly lower compared to those measured by SEM. The results indicate that the choice of technique for measuring the accuracy of ceramic crowns influences the final results of investigation.

Molecular dynamics simulations using temperature-enhanced essential dynamics replica exchange.

PubMed

Kubitzki, Marcus B; de Groot, Bert L

2007-06-15

Today's standard molecular dynamics simulations of moderately sized biomolecular systems at full atomic resolution are typically limited to the nanosecond timescale and therefore suffer from limited conformational sampling. Efficient ensemble-preserving algorithms like replica exchange (REX) may alleviate this problem somewhat but are still computationally prohibitive due to the large number of degrees of freedom involved. Aiming at increased sampling efficiency, we present a novel simulation method combining the ideas of essential dynamics and REX. Unlike standard REX, in each replica only a selection of essential collective modes of a subsystem of interest (essential subspace) is coupled to a higher temperature, with the remainder of the system staying at a reference temperature, T(0). This selective excitation along with the replica framework permits efficient approximate ensemble-preserving conformational sampling and allows much larger temperature differences between replicas, thereby considerably enhancing sampling efficiency. Ensemble properties and sampling performance of the method are discussed using dialanine and guanylin test systems, with multi-microsecond molecular dynamics simulations of these test systems serving as references.

Cross correlation anomaly detection system

NASA Technical Reports Server (NTRS)

Micka, E. Z. (Inventor)

1975-01-01

This invention provides a method for automatically inspecting the surface of an object, such as an integrated circuit chip, whereby the data obtained by the light reflected from the surface, caused by a scanning light beam, is automatically compared with data representing acceptable values for each unique surface. A signal output provided indicated of acceptance or rejection of the chip. Acceptance is based on predetermined statistical confidence intervals calculated from known good regions of the object being tested, or their representative values. The method can utilize a known good chip, a photographic mask from which the I.C. was fabricated, or a computer stored replica of each pattern being tested.

Dynamical self-arrest in symmetric and asymmetric diblock copolymer melts using a replica approach within a local theory.

PubMed

Wu, Sangwook

2009-03-01

We investigate dynamical self-arrest in a diblock copolymer melt using a replica approach within a self-consistent local method based on dynamical mean-field theory (DMFT). The local replica approach effectively predicts (chiN)_{A} for dynamical self-arrest in a block copolymer melt for symmetric and asymmetric cases. We discuss the competition of the cubic and quartic interactions in the Landau free energy for a block copolymer melt in stabilizing a glassy state depending on the chain length. Our local replica theory provides a universal value for the dynamical self-arrest in block copolymer melts with (chiN)_{A} approximately 10.5+64N;{-3/10} for the symmetric case.

Monitoring the progression of erosive tooth wear (ETW) using BEWE index in casts and their 3D images: A retrospective longitudinal study.

PubMed

Marro, Francisca; De Lat, Liesa; Martens, Luc; Jacquet, Wolfgang; Bottenberg, Peter

2018-04-13

To determine if the Basic erosive tooth wear index (BEWE index) is able to assess and monitor ETW changes in two consecutive cast models, and detect methodological differences when using the corresponding 3D image replicas. A total of 480 pre-treatment and 2-year post-treatment orthodontic models (n = 240 cast models and n = 240 3D image replicas) from 120 adolescents treated between 2002 and 2013 at the Gent Dental Clinic, Belgium, were scored using the BEWE index. For data analysis only posterior sextants were considered, and inter-method differences were evaluated using Wilcoxon Signed Rank test, Kappa values and Mc Nemar tests (p < 0.05). Correlations between methods were determined using Kendall tau correlation test. Significant changes of ETW were detected between two consecutive models when BEWE index was used to score cast models or their 3D image replicas (p < 0.001). A strong significant correlation (τb: 0.74; p < 0.001) was shown between both methods However, 3D image-BEWE index combination showed a higher probability for detecting initial surface changes, and scored significantly higher than casts (p < 0.001). Incidence and progression of ETW using 3D images was 13.3% (n = 16) and 60.9% (n = 56) respectively, with two subjects developing BEWE = 3 in at least one tooth surface. BEWE index is a suitable tool for the scoring of ETW lesions in 3D images and cast. The combination of both digital 3D records and index, can be used for the monitoring of ETW in a longitudinal approach. The higher sensibility of BEWE index when scoring 3D images might improve the early diagnosis of ETW lesions. The BEWE index combined with digital 3D records of oral conditions might improve the practitioner performance with respect to early diagnosis, monitoring and managing ETW. Copyright © 2018 Elsevier Ltd. All rights reserved.

Free energy surface of an intrinsically disordered protein: comparison between temperature replica exchange molecular dynamics and bias-exchange metadynamics.

PubMed

Zerze, Gül H; Miller, Cayla M; Granata, Daniele; Mittal, Jeetain

2015-06-09

Intrinsically disordered proteins (IDPs), which are expected to be largely unstructured under physiological conditions, make up a large fraction of eukaryotic proteins. Molecular dynamics simulations have been utilized to probe structural characteristics of these proteins, which are not always easily accessible to experiments. However, exploration of the conformational space by brute force molecular dynamics simulations is often limited by short time scales. Present literature provides a number of enhanced sampling methods to explore protein conformational space in molecular simulations more efficiently. In this work, we present a comparison of two enhanced sampling methods: temperature replica exchange molecular dynamics and bias exchange metadynamics. By investigating both the free energy landscape as a function of pertinent order parameters and the per-residue secondary structures of an IDP, namely, human islet amyloid polypeptide, we found that the two methods yield similar results as expected. We also highlight the practical difference between the two methods by describing the path that we followed to obtain both sets of data.

“Life-like” assessment of antimicrobial surfaces by a new touch transfer assay displays strong superiority of a copper alloy compared to silver containing surfaces

PubMed Central

Tofern, Sabrina; Kunz, Wladimir; Schütze, Sara; Riecke, Michael; Solbach, Werner; Wuske, Thomas

2017-01-01

Transmission of bacteria from inanimate surfaces in healthcare associated environments is an important source of hospital acquired infections. A number of commercially available medical devices promise to fulfill antibacterial activity to reduce environmental contamination. In this study we developed a touch transfer assay modeling fingerprint transmission to investigate the antibacterial activity of surfaces, with confirmed antibacterial activity by a modified ISO 22196 (JIS Z 2801) assay to test such surfaces under more realistic conditions. Bacteria were taken up from a dry standardized primary contaminated surface (PCS) with disinfected fingers or fingers covered with sterile and moistened cotton gloves. Subsequently, bacteria were transferred by pressing on secondary contaminated surfaces (SCS) with or without potential antibacterial activity and the relative reduction rate was determined after 24 h. A stable transmission rate between PCS and SCS was observed using moistened sterile gloves. A copper containing alloy displayed at least a tenfold reduction of the bacterial load consistently reaching less than 2.5 cfu/cm2. In contrast, no significant reduction of bacterial contamination by silver containing surfaces and matured pure silver was observed in the touch transfer assay. With the touch transfer assay we successfully established a new reproducible method modeling cross contamination. Using the new method we were able to demonstrate that several surfaces with confirmed antimicrobial activity in a modified ISO 22196 (JIS Z 2801) assay lacked effectiveness under defined ambient conditions. This data indicate that liquid based assays like the ISO 22196 should be critically reviewed before claiming antibacterial activity for surfaces in the setting of contamination of dry surfaces by contact to the human skin. We suggest the newly developed touch transfer assay as a new additional tool for the assessment of potential antimicrobial surfaces prior utilization in hospital environments. PMID:29135999

D Modelling and Rapid Prototyping for Cardiovascular Surgical Planning - Two Case Studies

NASA Astrophysics Data System (ADS)

Nocerino, E.; Remondino, F.; Uccheddu, F.; Gallo, M.; Gerosa, G.

2016-06-01

In the last years, cardiovascular diagnosis, surgical planning and intervention have taken advantages from 3D modelling and rapid prototyping techniques. The starting data for the whole process is represented by medical imagery, in particular, but not exclusively, computed tomography (CT) or multi-slice CT (MCT) and magnetic resonance imaging (MRI). On the medical imagery, regions of interest, i.e. heart chambers, valves, aorta, coronary vessels, etc., are segmented and converted into 3D models, which can be finally converted in physical replicas through 3D printing procedure. In this work, an overview on modern approaches for automatic and semiautomatic segmentation of medical imagery for 3D surface model generation is provided. The issue of accuracy check of surface models is also addressed, together with the critical aspects of converting digital models into physical replicas through 3D printing techniques. A patient-specific 3D modelling and printing procedure (Figure 1), for surgical planning in case of complex heart diseases was developed. The procedure was applied to two case studies, for which MCT scans of the chest are available. In the article, a detailed description on the implemented patient-specific modelling procedure is provided, along with a general discussion on the potentiality and future developments of personalized 3D modelling and printing for surgical planning and surgeons practice.

Extreme Soft Limit Observation of Quantum Hall Effect in a 3-d Semiconductor

NASA Astrophysics Data System (ADS)

Bleiweiss, Michael; Yin, Ming; Amirzadeh, Jafar; Preston, Harry; Datta, Timir

2004-03-01

We report on the evidence for quantum hall effect at 38K and in magnetic fields (B) as low as 1k-Orsted. Our specimens were semiconducting, carbon replica opal (CRO) structures. CRO are three dimensional bulk systems where the carbon is grown by CVD into the porous regions in artificial silica opals. The carbon forms layers on top of the silica spheres as eggshells. The shells are of uneven thickness and are perforated at the contacts points of the opal spheres and form a closed packed, three dimensional crystal structure. Plateaus in inverse R_xy that are conjugated with well-defined Subnikov-deHass modulations in R_xx were observed. The quantum steps that are particularly prominent were the states with fill factors v = p/q (p,q are integers) were the well know fractions, 1/3, 1/2, 3/5, 1 and 5/2. QHE steps indicate that the carriers are localized in two-dimensional regions, which may be due to the extremely large surface to volume ratio associated with replica opal structure. From the B-1 vs v straight line, the effective surface carrier density, ns = 2.2 x 10^14 m-2. To the best of our knowledge, the current work is the first to report fractional quantum hall plateaus in a bulk system.

Short fatigue crack behavior in notched 2024-T3 aluminum specimens

NASA Technical Reports Server (NTRS)

Lee, J. J.; Sharpe, W. N., Jr.

1986-01-01

Single-edge, semi-circular notched specimens of Al 2024-T3, 2.3 mm thick, were cyclicly loaded at R-ratios of 0.5, 0.0, -1.0, and -2.0. The notch roots were periodically inspected using a replica technique which duplicates the bore surface. The replicas were examined under an optical microscope to determine the initiation of very short cracks and to monitor the growth of short cracks ranging in length from a few tens of microns to the specimen thickness. In addition to short crack growth measurements, the crack opening displacement (COD) was measured for surface cracks as short as 0.035 mm and for through-thickness cracks using the Interferometric Strain/Displacement Gage (ISDG), a laser-based optical technique. The growth rates of short cracks were faster than the long crack growth rates for R-ratios of -1.0 and -2.0. No significant difference between short and long crack growth rates was observed for R = 0.0. Short cracks had slower growth rates than long cracks for R = 0.5. The crack opening stresses measured for short cracks were smaller than those predicted for large cracks, with little difference appearing for positive R-ratios and large differences noted for negative R-ratios.

Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering

PubMed Central

2015-01-01

The lateral heterogeneity of cellular membranes plays an important role in many biological functions such as signaling and regulating membrane proteins. This heterogeneity can result from preferential interactions between membrane components or interactions with membrane proteins. One major difficulty in molecular dynamics simulations aimed at studying the membrane heterogeneity is that lipids diffuse slowly and collectively in bilayers, and therefore, it is difficult to reach equilibrium in lateral organization in bilayer mixtures. Here, we propose the use of the replica exchange with solute tempering (REST) approach to accelerate lateral relaxation in heterogeneous bilayers. REST is based on the replica exchange method but tempers only the solute, leaving the temperature of the solvent fixed. Since the number of replicas in REST scales approximately only with the degrees of freedom in the solute, REST enables us to enhance the configuration sampling of lipid bilayers with fewer replicas, in comparison with the temperature replica exchange molecular dynamics simulation (T-REMD) where the number of replicas scales with the degrees of freedom of the entire system. We apply the REST method to a cholesterol and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) bilayer mixture and find that the lateral distribution functions of all molecular pair types converge much faster than in the standard MD simulation. The relative diffusion rate between molecules in REST is, on average, an order of magnitude faster than in the standard MD simulation. Although REST was initially proposed to study protein folding and its efficiency in protein folding is still under debate, we find a unique application of REST to accelerate lateral equilibration in mixed lipid membranes and suggest a promising way to probe membrane lateral heterogeneity through molecular dynamics simulation. PMID:25328493

Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling.

PubMed

Rauscher, Sarah; Neale, Chris; Pomès, Régis

2009-10-13

Generalized-ensemble algorithms in temperature space have become popular tools to enhance conformational sampling in biomolecular simulations. A random walk in temperature leads to a corresponding random walk in potential energy, which can be used to cross over energetic barriers and overcome the problem of quasi-nonergodicity. In this paper, we introduce two novel methods: simulated tempering distributed replica sampling (STDR) and virtual replica exchange (VREX). These methods are designed to address the practical issues inherent in the replica exchange (RE), simulated tempering (ST), and serial replica exchange (SREM) algorithms. RE requires a large, dedicated, and homogeneous cluster of CPUs to function efficiently when applied to complex systems. ST and SREM both have the drawback of requiring extensive initial simulations, possibly adaptive, for the calculation of weight factors or potential energy distribution functions. STDR and VREX alleviate the need for lengthy initial simulations, and for synchronization and extensive communication between replicas. Both methods are therefore suitable for distributed or heterogeneous computing platforms. We perform an objective comparison of all five algorithms in terms of both implementation issues and sampling efficiency. We use disordered peptides in explicit water as test systems, for a total simulation time of over 42 μs. Efficiency is defined in terms of both structural convergence and temperature diffusion, and we show that these definitions of efficiency are in fact correlated. Importantly, we find that ST-based methods exhibit faster temperature diffusion and correspondingly faster convergence of structural properties compared to RE-based methods. Within the RE-based methods, VREX is superior to both SREM and RE. On the basis of our observations, we conclude that ST is ideal for simple systems, while STDR is well-suited for complex systems.

Axial displacement of abutments into implants and implant replicas, with the tapered cone-screw internal connection, as a function of tightening torque.

PubMed

Dailey, Bruno; Jordan, Laurence; Blind, Olivier; Tavernier, Bruno

2009-01-01

The passive fit of a superstructure on implant abutments is essential to success. One source of error when using a tapered cone-screw internal connection may be the difference between the tightening torque level applied to the abutments by the laboratory technician compared to that applied by the treating clinician. The purpose of this study was to measure the axial displacement of tapered cone-screw abutments into implants and their replicas as a function of the tightening torque level. Twenty tapered cone-screw abutments were selected. Two groups were created: 10 abutments were secured into 10 implants, and 10 abutments were secured into 10 corresponding implant replicas. Each abutment was tightened in increasing increments of 5 Ncm, from 0 Ncm to 45 Ncm, with a torque controller. The length of each sample was measured repeatedly with an Electronic Digital Micrometer. The mean axial displacement for the implant group and the replica group was calculated. The data were analyzed by the Mann-Whitney and Spearman tests. For both groups, there was always an axial displacement of the abutment upon each incremental application of torque. The mean axial displacement values varied between 7 and 12 microm for the implant group and between 6 and 21 microm for the replica group at each 5-Ncm increment. From 0 to 45 Ncm, the total mean axial displacement values were 89 microm for the implant group and 122 microm for the replica group. There was a continuous axial displacement of the abutments into implants and implant replicas when the applied torque was raised from 0 to 45 Ncm. Torque applied above the level recommended by the manufacturer increased the difference in displacement between the two groups.

Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering.

PubMed

Huang, Kun; García, Angel E

2014-10-14

The lateral heterogeneity of cellular membranes plays an important role in many biological functions such as signaling and regulating membrane proteins. This heterogeneity can result from preferential interactions between membrane components or interactions with membrane proteins. One major difficulty in molecular dynamics simulations aimed at studying the membrane heterogeneity is that lipids diffuse slowly and collectively in bilayers, and therefore, it is difficult to reach equilibrium in lateral organization in bilayer mixtures. Here, we propose the use of the replica exchange with solute tempering (REST) approach to accelerate lateral relaxation in heterogeneous bilayers. REST is based on the replica exchange method but tempers only the solute, leaving the temperature of the solvent fixed. Since the number of replicas in REST scales approximately only with the degrees of freedom in the solute, REST enables us to enhance the configuration sampling of lipid bilayers with fewer replicas, in comparison with the temperature replica exchange molecular dynamics simulation (T-REMD) where the number of replicas scales with the degrees of freedom of the entire system. We apply the REST method to a cholesterol and 1,2-dipalmitoyl- sn -glycero-3-phosphocholine (DPPC) bilayer mixture and find that the lateral distribution functions of all molecular pair types converge much faster than in the standard MD simulation. The relative diffusion rate between molecules in REST is, on average, an order of magnitude faster than in the standard MD simulation. Although REST was initially proposed to study protein folding and its efficiency in protein folding is still under debate, we find a unique application of REST to accelerate lateral equilibration in mixed lipid membranes and suggest a promising way to probe membrane lateral heterogeneity through molecular dynamics simulation.

Design of experiment for optimization of plasma-polymerized octafluorocyclobutane coating on very high aspect ratio silicon molds.

PubMed

Yeo, L P; Yan, Y H; Lam, Y C; Chan-Park, Mary B

2006-11-21

As-fabricated deep reactive ion etched (DRIE) silicon mold with very high aspect ratio (>10) feature patterns is unsuitable for poly(dimethylsiloxane) (PDMS) replication because of the strong interaction between the Si surface and the replica and the corrugated mold sidewalls. The silicon mold can be conveniently passivated via plasma polymerization of octafluorocyclobutane (C4F8), which is also employed in the DRIE process itself, to enable the mold to be used repeatedly. To optimize the passivation conditions, we have undertaken a Box-Behnken experimental design on the basis of three passivation process parameters (plasma power, C4F8 flow rate, and deposition time). The measured responses were fluorinated film thickness, demolding status/success, demolding force, and fluorine/carbon ratio on the fifth replica surface. The optimal passivation process conditions were predicted to be an input power of 195 W, a C4F8 flow rate of 57 sccm, and a deposition time of 364 s; these were verified experimentally to have high accuracy. Demolding success requires medium-deposited film thickness (66-91 nm), and the thickness of the deposited films correlated strongly with deposition time. At moderate to high ranges, increased plasma power or gas flow rate promoted polymerization over reactive etching of the film. It was also found that small quantities of the fluorinated surface were transferred from the Si mold to the PDMS at each replication, entailing progressive wear of the fluorinated layer.

Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

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

Valentim, Alexandra; Rocha, Julio C. S.; Tsai, Shan-Ho

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, inmore » which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this diculty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.« less

Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation.

PubMed

Mishra, Sushil Kumar; Kara, Mahmut; Zacharias, Martin; Koca, Jaroslav

2014-01-01

Knowledge of the structure and conformational flexibility of carbohydrates in an aqueous solvent is important to improving our understanding of how carbohydrates function in biological systems. In this study, we extend a variant of the Hamiltonian replica-exchange molecular dynamics (MD) simulation to improve the conformational sampling of saccharides in an explicit solvent. During the simulations, a biasing potential along the glycosidic-dihedral linkage between the saccharide monomer units in an oligomer is applied at various levels along the replica runs to enable effective transitions between various conformations. One reference replica runs under the control of the original force field. The method was tested on disaccharide structures and further validated on biologically relevant blood group B, Lewis X and Lewis A trisaccharides. The biasing potential-based replica-exchange molecular dynamics (BP-REMD) method provided a significantly improved sampling of relevant conformational states compared with standard continuous MD simulations, with modest computational costs. Thus, the proposed BP-REMD approach adds a new dimension to existing carbohydrate conformational sampling approaches by enhancing conformational sampling in the presence of solvent molecules explicitly at relatively low computational cost.

Fish and robot dancing together: bluefin killifish females respond differently to the courtship of a robot with varying color morphs.

PubMed

Phamduy, P; Polverino, G; Fuller, R C; Porfiri, M

2014-09-01

The experimental integration of bioinspired robots in groups of social animals has become a valuable tool to understand the basis of social behavior and uncover the fundamental determinants of animal communication. In this study, we measured the preference of fertile female bluefin killifish (Lucania goodei) for robotic replicas whose aspect ratio, body size, motion pattern, and color morph were inspired by adult male killifish. The motion of the fish replica was controlled via a robotic platform, which simulated the typical courtship behavior observed in killifish males. The positional preferences of females were measured for three different color morphs (red, yellow, and blue). While variation in preference was high among females, females tend to spend more time in the vicinity of the yellow painted robot replicas. This preference may have emerged because the yellow robot replicas were very bright, particularly in the longer wavelengths (550–700 nm) compared to the red and blue replicas. These findings are in agreement with previous observations in mosquitofish and zebrafish on fish preference for artificially enhanced yellow pigmentation.

Disordered λ φ4+ρ φ6 Landau-Ginzburg model

NASA Astrophysics Data System (ADS)

Diaz, R. Acosta; Svaiter, N. F.; Krein, G.; Zarro, C. A. D.

2018-03-01

We discuss a disordered λ φ4+ρ φ6 Landau-Ginzburg model defined in a d -dimensional space. First we adopt the standard procedure of averaging the disorder-dependent free energy of the model. The dominant contribution to this quantity is represented by a series of the replica partition functions of the system. Next, using the replica-symmetry ansatz in the saddle-point equations, we prove that the average free energy represents a system with multiple ground states with different order parameters. For low temperatures we show the presence of metastable equilibrium states for some replica fields for a range of values of the physical parameters. Finally, going beyond the mean-field approximation, the one-loop renormalization of this model is performed, in the leading-order replica partition function.

Coupling of phonons with excitons bound to different donors and acceptors in hexagonal GaN

NASA Astrophysics Data System (ADS)

Korona, K. P.; Wysmoek, A.; Kuhl, J.; Kamiska, M.; Baranowski, J. M.; Look, D. C.; Park, S. S.

2006-06-01

Time-resolved measurements of GaN with different donors (oxygen or silicon) and acceptors (zinc or magnesium) showed pronounced bound exciton lines and their phonon replicas. The analysis included three phonon modes characteristic for the wurtzite (hexagonal) phase: A1(LO), E1(TO) and E2H. It was shown that relative amplitudes of replicas depended upon the chemical nature of the defects that the bind excitons. The replicas were stronger for acceptor- than for donor-related features. Huang-Rhys factors S = 0.06 +/- 0.02 and S = 0.025 +/- 0.01, were found for the A0X and the D0X LO replicas, respectively. A significant difference in phonon coupling to silicon and oxygen donor bound excitons has been observed.

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

Vogel, Thomas; Perez, Danny

We recently introduced a novel replica-exchange scheme in which an individual replica can sample from states encountered by other replicas at any previous time by way of a global configuration database, enabling the fast propagation of relevant states through the whole ensemble of replicas. This mechanism depends on the knowledge of global thermodynamic functions which are measured during the simulation and not coupled to the heat bath temperatures driving the individual simulations. Therefore, this setup also allows for a continuous adaptation of the temperature set. In this paper, we will review the new scheme and demonstrate its capability. Furthermore, themore » method is particularly useful for the fast and reliable estimation of the microcanonical temperature T(U) or, equivalently, of the density of states g(U) over a wide range of energies.« less

Engineered biomimicry: polymeric replication of surface features found on insects

NASA Astrophysics Data System (ADS)

Pulsifer, Drew P.; Lakhtakia, Akhlesh; Martín-Palma, Raúl J.; Pantano, Carlo G.

2011-04-01

By combining the modified conformal-evaporated-film-by-rotation (M-CEFR) technique with nickel electroforming, we have produced master negatives of nonplanar biotemplates. An approximately 250-nm-thick conformal coating of nanocrystaline nickel is deposited on a surface structure of interest found in class Insecta, and the coating is then reinforced with a roughly 60-μm-thick structural layer of nickel by electroforming. This structural layer endows the M-CEFR coating with the mechanical robustness necessary for casting or stamping multiple polymer replicas of the biotemplate. We have made master negatives of blowfly corneas, beetle elytrons, and butterfly wings.

Biomineralized 3-D Nanoparticle Assemblies with Micro-to-Nanoscale Features and Tailored Chemistries

DTIC Science & Technology

2008-01-07

protuberances on the pollen surface were well preserved after conversion. This hybrid approach may be applied to a variety of bio-organic templates, which are...replicas were found to be rapid, low voltage, minimally-invasive sensors of NO(g) and to exhibit photoluminescence . The kinetics of magnesiothermic...silica- organic hybrid structures via biomimetic silicification has been demonstrated. The effects of two key parameters, the polyamine content and

Calibration of areal surface topography measuring instruments

NASA Astrophysics Data System (ADS)

Seewig, J.; Eifler, M.

2017-06-01

The ISO standards which are related to the calibration of areal surface topography measuring instruments are the ISO 25178-6xx series which defines the relevant metrological characteristics for the calibration of different measuring principles and the ISO 25178-7xx series which defines the actual calibration procedures. As the field of areal measurement is however not yet fully standardized, there are still open questions to be addressed which are subject to current research. Based on this, selected research results of the authors in this area are presented. This includes the design and fabrication of areal material measures. For this topic, two examples are presented with the direct laser writing of a stepless material measure for the calibration of the height axis which is based on the Abbott- Curve and the manufacturing of a Siemens star for the determination of the lateral resolution limit. Based on these results, as well a new definition for the resolution criterion, the small scale fidelity, which is still under discussion, is presented. Additionally, a software solution for automated calibration procedures is outlined.

Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithm.

PubMed

Zhou, Ruhong

2004-05-01

A highly parallel replica exchange method (REM) that couples with a newly developed molecular dynamics algorithm particle-particle particle-mesh Ewald (P3ME)/RESPA has been proposed for efficient sampling of protein folding free energy landscape. The algorithm is then applied to two separate protein systems, beta-hairpin and a designed protein Trp-cage. The all-atom OPLSAA force field with an explicit solvent model is used for both protein folding simulations. Up to 64 replicas of solvated protein systems are simulated in parallel over a wide range of temperatures. The combined trajectories in temperature and configurational space allow a replica to overcome free energy barriers present at low temperatures. These large scale simulations reveal detailed results on folding mechanisms, intermediate state structures, thermodynamic properties and the temperature dependences for both protein systems.

Sublattice parallel replica dynamics.

PubMed

Martínez, Enrique; Uberuaga, Blas P; Voter, Arthur F

2014-06-01

Exascale computing presents a challenge for the scientific community as new algorithms must be developed to take full advantage of the new computing paradigm. Atomistic simulation methods that offer full fidelity to the underlying potential, i.e., molecular dynamics (MD) and parallel replica dynamics, fail to use the whole machine speedup, leaving a region in time and sample size space that is unattainable with current algorithms. In this paper, we present an extension of the parallel replica dynamics algorithm [A. F. Voter, Phys. Rev. B 57, R13985 (1998)] by combining it with the synchronous sublattice approach of Shim and Amar [ and , Phys. Rev. B 71, 125432 (2005)], thereby exploiting event locality to improve the algorithm scalability. This algorithm is based on a domain decomposition in which events happen independently in different regions in the sample. We develop an analytical expression for the speedup given by this sublattice parallel replica dynamics algorithm and compare it with parallel MD and traditional parallel replica dynamics. We demonstrate how this algorithm, which introduces a slight additional approximation of event locality, enables the study of physical systems unreachable with traditional methodologies and promises to better utilize the resources of current high performance and future exascale computers.

Localization-Free Detection of Replica Node Attacks in Wireless Sensor Networks Using Similarity Estimation with Group Deployment Knowledge

PubMed Central

Ding, Chao; Yang, Lijun; Wu, Meng

2017-01-01

Due to the unattended nature and poor security guarantee of the wireless sensor networks (WSNs), adversaries can easily make replicas of compromised nodes, and place them throughout the network to launch various types of attacks. Such an attack is dangerous because it enables the adversaries to control large numbers of nodes and extend the damage of attacks to most of the network with quite limited cost. To stop the node replica attack, we propose a location similarity-based detection scheme using deployment knowledge. Compared with prior solutions, our scheme provides extra functionalities that prevent replicas from generating false location claims without deploying resource-consuming localization techniques on the resource-constraint sensor nodes. We evaluate the security performance of our proposal under different attack strategies through heuristic analysis, and show that our scheme achieves secure and robust replica detection by increasing the cost of node replication. Additionally, we evaluate the impact of network environment on the proposed scheme through theoretic analysis and simulation experiments, and indicate that our scheme achieves effectiveness and efficiency with substantially lower communication, computational, and storage overhead than prior works under different situations and attack strategies. PMID:28098846

Multiple cues produced by a robotic fish modulate aggressive behaviour in Siamese fighting fishes.

PubMed

Romano, Donato; Benelli, Giovanni; Donati, Elisa; Remorini, Damiano; Canale, Angelo; Stefanini, Cesare

2017-07-05

The use of robotics to establish social interactions between animals and robots, represents an elegant and innovative method to investigate animal behaviour. However, robots are still underused to investigate high complex and flexible behaviours, such as aggression. Here, Betta splendens was tested as model system to shed light on the effect of a robotic fish eliciting aggression. We evaluated how multiple signal systems, including a light stimulus, affect aggressive responses in B. splendens. Furthermore, we conducted experiments to estimate if aggressive responses were triggered by the biomimetic shape of fish replica, or whether any intruder object was effective as well. Male fishes showed longer and higher aggressive displays as puzzled stimuli from the fish replica increased. When the fish replica emitted its full sequence of cues, the intensity of aggression exceeded even that produced by real fish opponents. Fish replica shape was necessary for conspecific opponent perception, evoking significant aggressive responses. Overall, this study highlights that the efficacy of an artificial opponent eliciting aggressive behaviour in fish can be boosted by exposure to multiple signals. Optimizing the cue combination delivered by the robotic fish replica may be helpful to predict escalating levels of aggression.

Localization-Free Detection of Replica Node Attacks in Wireless Sensor Networks Using Similarity Estimation with Group Deployment Knowledge.

PubMed

Ding, Chao; Yang, Lijun; Wu, Meng

2017-01-15

Due to the unattended nature and poor security guarantee of the wireless sensor networks (WSNs), adversaries can easily make replicas of compromised nodes, and place them throughout the network to launch various types of attacks. Such an attack is dangerous because it enables the adversaries to control large numbers of nodes and extend the damage of attacks to most of the network with quite limited cost. To stop the node replica attack, we propose a location similarity-based detection scheme using deployment knowledge. Compared with prior solutions, our scheme provides extra functionalities that prevent replicas from generating false location claims without deploying resource-consuming localization techniques on the resource-constraint sensor nodes. We evaluate the security performance of our proposal under different attack strategies through heuristic analysis, and show that our scheme achieves secure and robust replica detection by increasing the cost of node replication. Additionally, we evaluate the impact of network environment on the proposed scheme through theoretic analysis and simulation experiments, and indicate that our scheme achieves effectiveness and efficiency with substantially lower communication, computational, and storage overhead than prior works under different situations and attack strategies.

Geodetic estimates of fault slip rates in the San Francisco Bay area

USGS Publications Warehouse

Savage, J.C.; Svarc, J.L.; Prescott, W.H.

1999-01-01

Bourne et al. [1998] have suggested that the interseismic velocity profile at the surface across a transform plate boundary is a replica of the secular velocity profile at depth in the plastosphere. On the other hand, in the viscoelastic coupling model the shape of the interseismic surface velocity profile is a consequence of plastosphere relaxation following the previous rupture of the faults that make up the plate boundary and is not directly related to the secular flow in the plastosphere. The two models appear to be incompatible. If the plate boundary is composed of several subparallel faults and the interseismic surface velocity profile across the boundary known, each model predicts the secular slip rates on the faults which make up the boundary. As suggested by Bourne et al., the models can then be tested by comparing the predicted secular slip rates to those estimated from long-term offsets inferred from geology. Here we apply that test to the secular slip rates predicted for the principal faults (San Andreas, San Gregorio, Hayward, Calaveras, Rodgers Creek, Green Valley and Greenville faults) in the San Andreas fault system in the San Francisco Bay area. The estimates from the two models generally agree with one another and to a lesser extent with the geologic estimate. Because the viscoelastic coupling model has been equally successful in estimating secular slip rates on the various fault strands at a diffuse plate boundary, the success of the model of Bourne et al. [1998] in doing the same thing should not be taken as proof that the interseismic velocity profile across the plate boundary at the surface is a replica of the velocity profile at depth in the plastosphere.

Portfolio optimization problem with nonidentical variances of asset returns using statistical mechanical informatics.

PubMed

Shinzato, Takashi

2016-12-01

The portfolio optimization problem in which the variances of the return rates of assets are not identical is analyzed in this paper using the methodology of statistical mechanical informatics, specifically, replica analysis. We defined two characteristic quantities of an optimal portfolio, namely, minimal investment risk and investment concentration, in order to solve the portfolio optimization problem and analytically determined their asymptotical behaviors using replica analysis. Numerical experiments were also performed, and a comparison between the results of our simulation and those obtained via replica analysis validated our proposed method.

Portfolio optimization problem with nonidentical variances of asset returns using statistical mechanical informatics

NASA Astrophysics Data System (ADS)

Shinzato, Takashi

2016-12-01

The portfolio optimization problem in which the variances of the return rates of assets are not identical is analyzed in this paper using the methodology of statistical mechanical informatics, specifically, replica analysis. We defined two characteristic quantities of an optimal portfolio, namely, minimal investment risk and investment concentration, in order to solve the portfolio optimization problem and analytically determined their asymptotical behaviors using replica analysis. Numerical experiments were also performed, and a comparison between the results of our simulation and those obtained via replica analysis validated our proposed method.

A digital approach to fabricating an abutment replica to control cement volume in a cement-retained implant prosthesis.

PubMed

Lee, Ju-Hyoung; Park, In-Sook; Sohn, Dong-Seok

2016-07-01

If a cement-retained implant prosthesis is placed on an abutment, excess cement should be minimized or removed to prevent periimplant inflammation. Various methods for fabricating an abutment replica have been introduced to maintain tissue health and reduce clean-up time. The purpose of this article is to present an alternative technique for fabricating an abutment replica with computer-aided design/computer-aided manufacturing (CAD/CAM) technology. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Applying tribology to teeth of hoofed mammals.

PubMed

Schulz, Ellen; Calandra, Ivan; Kaiser, Thomas M

2010-01-01

Mammals inhabit all types of environments and have evolved chewing systems capable of processing a huge variety of structurally diverse food components. Surface textures of cheek teeth should thus reflect the mechanisms of wear as well as the functional traits involved. We employed surface textures parameters from ISO/DIS 25178 and scale-sensitive fractal analysis (SSFA) to quantify dental wear in herbivorous mammals at the level of an individual wear enamel facet. We evaluated cheek dentitions of two grazing ungulates: the Blue Wildebeest (Connochaetes taurinus) and the Grevy's Zebra (Equus grevyi). Both inhabit the east African grassland savanna habitat, but they belong to fundamentally different taxonomic units. We tested the hypothesis that the foregut fermenting wildebeest and the hindgut fermenting zebra show functional traits in their dentitions that relate to their specific mode of food-composition processing and digestion. In general, surface texture parameters from SSFA as well as ISO/DIS 25178 indicated that individual enamel ridges acting as crushing blades and individual wear facets of upper cheek teeth are significantly different in surface textures in the zebra when compared with the wildebeest. We interpreted the complexity and anisotropy signals to be clearly related to the brittle, dry grass component in the diet of the zebra, unlike the wildebeest, which ingests a more heterogeneous diet including fresh grass and herbs. Thus, SSFA and ISO parameters allow distinctions within the subtle dietary strategies that evolved in herbivorous ungulates with fundamentally different systematic affinities but which exploit a similar dietary niche. © 2010 Wiley Periodicals, Inc.

Episcleral eye plaque dosimetry comparison for the Eye Physics EP917 using Plaque Simulator and Monte Carlo simulation

PubMed Central

Amoush, Ahmad; Wilkinson, Douglas A.

2015-01-01

This work is a comparative study of the dosimetry calculated by Plaque Simulator, a treatment planning system for eye plaque brachytherapy, to the dosimetry calculated using Monte Carlo simulation for an Eye Physics model EP917 eye plaque. Monte Carlo (MC) simulation using MCNPX 2.7 was used to calculate the central axis dose in water for an EP917 eye plaque fully loaded with 17 IsoAid Advantage  125I seeds. In addition, the dosimetry parameters Λ, gL(r), and F(r,θ) were calculated for the IsoAid Advantage model IAI‐125  125I seed and benchmarked against published data. Bebig Plaque Simulator (PS) v5.74 was used to calculate the central axis dose based on the AAPM Updated Task Group 43 (TG‐43U1) dose formalism. The calculated central axis dose from MC and PS was then compared. When the MC dosimetry parameters for the IsoAid Advantage  125I seed were compared with the consensus values, Λ agreed with the consensus value to within 2.3%. However, much larger differences were found between MC calculated gL(r) and F(r,θ) and the consensus values. The differences between MC‐calculated dosimetry parameters are much smaller when compared with recently published data. The differences between the calculated central axis absolute dose from MC and PS ranged from 5% to 10% for distances between 1 and 12 mm from the outer scleral surface. When the dosimetry parameters for the  125I seed from this study were used in PS, the calculated absolute central axis dose differences were reduced by 2.3% from depths of 4 to 12 mm from the outer scleral surface. We conclude that PS adequately models the central dose profile of this plaque using its defaults for the IsoAid model IAI‐125 at distances of 1 to 7 mm from the outer scleral surface. However, improved dose accuracy can be obtained by using updated dosimetry parameters for the IsoAid model IAI‐125  125I seed. PACS number: 87.55.K‐ PMID:26699577

Physical mapping of complex genomes

DOEpatents

Evans, G.A.

1993-06-15

A method for the simultaneous identification of overlapping cosmid clones among multiple cosmid clones and the use of the method for mapping complex genomes are provided. A library of cosmid clones that contains the DNA to be mapped is constructed and arranged in a manner such that individual clones can be identified and replicas of the arranged clones prepared. In preferred embodiments, the clones are arranged in a two dimensional matrix. In such embodiments, the cosmid clones in a row are pooled, mixed probes complementary to the ends of the DNA inserts in the pooled clones are synthesized, hybridized to a first replica of the library. Hybridizing clones, which include the pooled row, are identified. A second portion of clones is prepared by pooling cosmid clones that correspond to a column in the matrix. The second pool thereby includes one clone from the first portion pooled clones. This common clone is located on the replica at the intersection of the column and row. Mixed probes complementary to the ends of the DNA inserts in the second pooled portion of clones are prepared and hybridized to a second replica of the library. The hybridization pattern on the first and second replicas of the library are compared and cross-hybridizing clones, other than the clones in the pooled column and row, that hybridize to identical clones in the first and second replicas are identified. These clones necessarily include DNA inserts that overlap with the DNA insert in the common clone located at the intersection of the pooled row and pooled column. The DNA in the entire library may be mapped by pooling the clones in each of the rows and columns of the matrix, preparing mixed end-specific probes and hybridizing the probes from each row or column to a replica of the library. Since all clones in the library are located at the intersection of a column and a row, the overlapping clones for all clones in the library may be identified and a physical map constructed.

Replica Resummation of the Baker-Campbell-Hausdorff Series

NASA Astrophysics Data System (ADS)

Vajna, Szabolcs; Klobas, Katja; Prosen, Tomaž; Polkovnikov, Anatoli

2018-05-01

We developed a novel perturbative expansion based on the replica trick for the Floquet Hamiltonian governing the dynamics of periodically kicked systems where the kick strength is the small parameter. The expansion is formally equivalent to an infinite resummation of the Baker-Campbell-Hausdorff series in the undriven (nonperturbed) Hamiltonian, while considering terms up to a finite order in the kick strength. As an application of the replica expansion, we analyze an Ising spin 1 /2 chain periodically kicked with a magnetic field with a strength h , which has both longitudinal and transverse components. We demonstrate that even away from the regime of high frequency driving, if there is heating, its rate is nonperturbative in the kick strength, bounded from above by a stretched exponential: e-const h-1 /2 . This guarantees the existence of a very long prethermal regime, where the dynamics is governed by the Floquet Hamiltonian obtained from the replica expansion.

Toward mass producible ordered bulk heterojunction organic photovoltaic devices.

PubMed

Kim, Taeyong; Yoon, Hyunsik; Song, Hyung-Jun; Haberkorn, Niko; Cho, Younghyun; Sung, Seung Hyun; Lee, Chang Hee; Char, Kookheon; Theato, Patrick

2012-12-13

A strategy to fabricate nanostructured poly(3-hexylthiophene) (P3HT) films for organic photovoltaic (OPV) cells by a direct transfer method from a reusable soft replica mold is presented. The flexible polyfluoropolyether (PFPE) replica mold allows low-pressure and low- temperature process condition for the successful transfer of nanostructured P3HT films onto PEDOT/PSS-coated ITO substrates. To reduce the fabrication cost of masters in large area, we employed well-ordered anodic aluminum oxide (AAO) as a template. Also, we provide a method to fabricate reversed nanostructures by exploiting the self-replication of replica molds. The concept of the transfer method in low temperature with a flexible and reusable replica mold obtained from an AAO template will be a firm foundation for a low-cost fabrication process of ordered OPVs. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Replica Fourier Tansforms on Ultrametric Trees, and Block-Diagonalizing Multi-Replica Matrices

NASA Astrophysics Data System (ADS)

de Dominicis, C.; Carlucci, D. M.; Temesvári, T.

1997-01-01

The analysis of objects living on ultrametric trees, in particular the block-diagonalization of 4-replica matrices M^{α β;γ^δ}, is shown to be dramatically simplified through the introduction of properly chosen operations on those objects. These are the Replica Fourier Transforms on ultrametric trees. Those transformations are defined and used in the present work. On montre que l'analyse d'objets vivant sur un arbre ultramétrique, en particulier, la diagonalisation par blocs d'une matrice M^{α β;γ^δ} dépendant de 4-répliques, se simplifie de façon dramatique si l'on introduit les opérations appropriées sur ces objets. Ce sont les Transformées de Fourier de Répliques sur un arbre ultramétrique. Ces transformations sont définies et utilisées dans le présent travail.

Replica Exchange with Solute Tempering: Efficiency in Large Scale Systems

PubMed Central

Huang, Xuhui; Hagen, Morten; Kim, Byungchan; Friesner, Richard A.; Zhou, Ruhong; Berne, B. J.

2009-01-01

We apply the recently developed replica exchange with solute tempering (REST) to three large solvated peptide systems: an α-helix, a β-hairpin, and a TrpCage, with these peptides defined as the “central group”. We find that our original implementation of REST is not always more efficient than the replica exchange method (REM). Specifically, we find that exchanges between folded (F) and unfolded (U) conformations with vastly different structural energies are greatly reduced by the nonappearance of the water self-interaction energy in the replica exchange acceptance probabilities. REST, however, is expected to remain useful for a large class of systems for which the energy gap between the two states is not large, such as weakly bound protein–ligand complexes. Alternatively, a shell of water molecules can be incorporated into the central group, as discussed in the original paper. PMID:17439169

Chu Lai MCAF, Vietnam. Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F

DTIC Science & Technology

1971-03-01

ItT A MEAN -t ~ oo’ too. 0 -4 -9 - QT 0. OQ i~ too # D 000, .oo 000 6000, Q O Q .0P 4000 .oOQ .000t, S-00, -6000. .-000, TOTAL 05$ 124 141 15$ ISO ...iss ljQ 1W -In, ISO , 124 15a 159 1704 JSAF ETAC ’OM0 88 5 IOU) -~~ -~ - - -- ------ - - -- - - DATA PRUCESSiNG DIVISION ETEEVLE AI WEAHR 6EFIV!CE/14AC...27 21-33 34•40 41 -47 48 •55 56 % WIND DIR. ISPEED N NO ISO 1.5 t ,l .1 3,8 ś,1 NNE .b III @1 3Z , .7 E NE .4 Isj 480 01 7,26..1 4 1, 0 Jos ,4 a.l

Robins AFB, Warner Robins, Georgia. Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F

DTIC Science & Technology

1979-08-31

O N/l HI I IH FO N/R BOWN N/l IT T N.O DRIZZLE DRAIZZLENASLEEYRCP EASN ISO O C0NDT0ON 94%. 5.5RL h .5 2.91 1*2 300 92 MV 00-02 1.0 5,7 __ __ __ 5.7...1 __ ____ __.__ 3.9_____ ____ __ SE___ ill__ ___2_ al _____ _____ ____I__ I 3 6 394 WNW ISO 2, 114 05 -o -5.5 6-6_ __ ~f .. CAN WW__ 1 2__4 2. - 7...6 2 294 l 7. ws__w. I ..... _ ___ _ _ _ __ _ _ _ _ ___ L J 4. ____• w 1_.7 19 3*7 ..7 01 I9.0 7.5 N .. o0 . 7 I.O . 4.8 8.1NW oI 6 Iso 3 .9 , 1

Coulomb replica-exchange method: handling electrostatic attractive and repulsive forces for biomolecules.

PubMed

Itoh, Satoru G; Okumura, Hisashi

2013-03-30

We propose a new type of the Hamiltonian replica-exchange method (REM) for molecular dynamics (MD) and Monte Carlo simulations, which we refer to as the Coulomb REM (CREM). In this method, electrostatic charge parameters in the Coulomb interactions are exchanged among replicas while temperatures are exchanged in the usual REM. By varying the atom charges, the CREM overcomes free-energy barriers and realizes more efficient sampling in the conformational space than the REM. Furthermore, this method requires only a smaller number of replicas because only the atom charges of solute molecules are used as exchanged parameters. We performed Coulomb replica-exchange MD simulations of an alanine dipeptide in explicit water solvent and compared the results with those of the conventional canonical, replica exchange, and van der Waals REMs. Two force fields of AMBER parm99 and AMBER parm99SB were used. As a result, the CREM sampled all local-minimum free-energy states more frequently than the other methods for both force fields. Moreover, the Coulomb, van der Waals, and usual REMs were applied to a fragment of an amyloid-β peptide (Aβ) in explicit water solvent to compare the sampling efficiency of these methods for a larger system. The CREM sampled structures of the Aβ fragment more efficiently than the other methods. We obtained β-helix, α-helix, 3(10)-helix, β-hairpin, and β-sheet structures as stable structures and deduced pathways of conformational transitions among these structures from a free-energy landscape. Copyright © 2012 Wiley Periodicals, Inc.

Skin microrelief as a diagnostic tool (Conference Presentation)

NASA Astrophysics Data System (ADS)

Tchvialeva, Lioudmila; Phillips, Jamie; Zeng, Haishan; McLean, David; Lui, Harvey; Lee, Tim K.

2017-02-01

Skin surface roughness is an important property for differentiating skin diseases. Recently, roughness has also been identified as a potential diagnostic indicator in the early detection of skin cancer. Objective quantification is usually carried out by creating silicone replicas of the skin and then measuring the replicas. We have developed an alternative in-vivo technique to measure skin roughness based on laser speckle. Laser speckle is the interference pattern produced when coherent light is used to illuminate a rough surface and the backscattered light is imaged. Acquiring speckle contrast measurements from skin phantoms with controllable roughness, we created a calibration curve by linearly interpolating between measured points. This calibration curve accounts for internal scattering and is designed to evaluate skin microrelief whose root-mean-square roughness is in the range of 10-60 micrometers. To validate the effectiveness of our technique, we conducted a study to measure 243 skin lesions including actinic keratosis (8), basal cell carcinoma (24), malignant melanoma (31), nevus (73), squamous cell carcinoma (19), and seborrheic keratosis (79). The average roughness values ranged from 26 to 57 micrometers. Malignant melanoma was ranked as the smoothest and squamous cell carcinoma as the roughest lesion. An ANOVA test confirmed that malignant melanoma has significantly smaller roughness than other lesion types. Our results suggest that skin microrelief can be used to detect malignant melanoma from other skin conditions.

Bioelectrochemical Detection of Mycobacterium tuberculosis ESAT-6 in an Antibody-Based Biomicrosystem

PubMed Central

Sepulveda, Danna; Varela, Andres; Del Portillo, Patricia

2017-01-01

Bioelectrochemical sensing of Mycobacterium tuberculosis through electro-immunosensors is a promising technique to detect relevant analytes. In general, immunosensors require the formation of organic assemblies by the adsorption of molecular constituents. Moreover, they depend on the correct immobilization of the bio-recognition element in the biosensor. These procedures cannot be easily monitored without the use of invasive methods. In this work, an impedance analysis technique was used, as a non-invasive method, to measure and differentiate the manufacturing stages of the sensors. Biomicrosystems were fabricated through physical vapor deposition (PVD) of 80 nm Au nanolayers on 35 µm copper surfaces. Later, the surface was modified through thiolation methods generating a self-assembled-monolayer (SAM) with 20 mM 4-aminothiophenol (4-ATP) on which a polyclonal antibody (pAb) was covalently attached. Using impedance analysis, every step of the electro-immunosensor fabrication protocol was characterized using 40 independent replicas. Results showed that, compared to the negative controls, distilled water, and 0.5 µg/mL HSA, a maximum variation of 171% between each replica was achieved when compared to samples containing 0.5 µg/mL of ESAT-6 M. tuberculosis immunodominant protein. Therefore, this development validates a non-invasive method to electrically monitor the assembly process of electro-immunosensors and a tool for its further measure for detection of relevant antigens. PMID:28937645

Gamma-ray dosimetry measurements of the Little Boy replica

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

Plassmann, E.A.; Pederson, R.A.

1984-01-01

We present the current status of our gamma-ray dosimetry results for the Little Boy replica. Both Geiger-Mueller and thermoluminescent detectors were used in the measurements. Future work is needed to test assumptions made in data analysis.

High efficiency replicated x-ray optics and fabrication method

DOEpatents

Barbee, Jr., Troy W.; Lane, Stephen M.; Hoffman, Donald E.

2001-01-01

Replicated x-ray optics are fabricated by sputter deposition of reflecting layers on a super-polished reusable mandrel. The reflecting layers are strengthened by a supporting multilayer that results in stronger stress-relieved reflecting surfaces that do not deform during separation from the mandrel. The supporting multilayer enhances the ability to part the replica from the mandrel without degradation in surface roughness. The reflecting surfaces are comparable in smoothness to the mandrel surface. An outer layer is electrodeposited on the supporting multilayer. A parting layer may be deposited directly on the mandrel before the reflecting surface to facilitate removal of the layered, tubular optic device from the mandrel without deformation. The inner reflecting surface of the shell can be a single layer grazing reflection mirror or a resonant multilayer mirror. The resulting optics can be used in a wide variety of applications, including lithography, microscopy, radiography, tomography, and crystallography.

Cretaceous Footprints Found on Goddard Campus

NASA Image and Video Library

2017-12-08

Michael Godfrey (left) and Perry Carsley (center) are coating the dinosaur footprints with a silicone rubber molding compound. A mold was made of the prints so that in addition to preserving the original rocky surface, cast replicas of the surface could also be made. Photo taken January 5, 2013. Image courtesy Stephen Godfrey NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

Mimicking coarse-grained simulations without coarse-graining: enhanced sampling by damping short-range interactions.

PubMed

Wei, Dongshan; Wang, Feng

2010-08-28

The damped-short-range-interaction (DSRI) method is proposed to mimic coarse-grained simulations by propagating an atomistic scale system on a smoothed potential energy surface. The DSRI method has the benefit of enhanced sampling provided by a typical coarse-grained simulation without the need to perform coarse-graining. Our method was used to simulate liquid water, alanine dipeptide folding, and the self-assembly of dimyristoylphosphatidylcholine lipid. In each case, our method appreciably accelerated the dynamics without significantly changing the free energy surface. Additional insights from DSRI simulations and the promise of coupling our DSRI method with Hamiltonian replica-exchange molecular dynamics are discussed.

Mimicking coarse-grained simulations without coarse-graining: Enhanced sampling by damping short-range interactions

NASA Astrophysics Data System (ADS)

Wei, Dongshan; Wang, Feng

2010-08-01

The damped-short-range-interaction (DSRI) method is proposed to mimic coarse-grained simulations by propagating an atomistic scale system on a smoothed potential energy surface. The DSRI method has the benefit of enhanced sampling provided by a typical coarse-grained simulation without the need to perform coarse-graining. Our method was used to simulate liquid water, alanine dipeptide folding, and the self-assembly of dimyristoylphosphatidylcholine lipid. In each case, our method appreciably accelerated the dynamics without significantly changing the free energy surface. Additional insights from DSRI simulations and the promise of coupling our DSRI method with Hamiltonian replica-exchange molecular dynamics are discussed.

CFRP composite mirrors for space telescopes and their micro-dimensional stability

NASA Astrophysics Data System (ADS)

Utsunomiya, Shin; Kamiya, Tomohiro; Shimizu, Ryuzo

2010-07-01

Ultra-lightweight and high-accuracy CFRP (carbon fiber reinforced plastics) mirrors for space telescopes were fabricated to demonstrate their feasibility for light wavelength applications. The CTE (coefficient of thermal expansion) of the all- CFRP sandwich panels was tailored to be smaller than 1×10-7/K. The surface accuracy of mirrors of 150 mm in diameter was 1.8 um RMS as fabricated and the surface smoothness was improved to 20 nm RMS by using a replica technique. Moisture expansion was considered the largest in un-predictable surface preciseness errors. The moisture expansion affected not only homologous shape change but also out-of-plane distortion especially in unsymmetrical compositions. Dimensional stability due to the moisture expansion was compared with a structural mathematical model.

Role of monsoon intraseasonal oscillation and its interannual variability in simulation of seasonal mean in CFSv2

NASA Astrophysics Data System (ADS)

Pillai, Prasanth A.; Aher, Vaishali R.

2018-01-01

Intraseasonal oscillation (ISO), which appears as "active" and "break" spells of rainfall, is an important component of Indian summer monsoon (ISM). The present study investigates the potential of new National Centre for Environmental Prediction (NCEP) climate forecast system version 2 (CFSv2) in simulating the ISO with emphasis to its interannual variability (IAV) and its possible role in the seasonal mean rainfall. The present analysis shows that the spatial distribution of CFSv2 rainfall has noticeable differences with observations in both ISO and IAV time scales. Active-break cycle of CFSv2 has similar evolution during both strong and weak years. Regardless of a reasonable El Niño Southern Oscillation (ENSO)-monsoon teleconnection in the model, the overestimated Arabian Sea (AS) sea surface temperature (SST)-convection relationship hinters the large-scale influence of ENSO over the ISM region and adjacent oceans. The ISO scale convections over AS and Bay of Bengal (BoB) have noteworthy contribution to the seasonal mean rainfall, opposing the influence of boundary forcing in these areas. At the same time, overwhelming contribution of ISO component over AS towards the seasonal mean modifies the effect of slow varying boundary forcing to large-scale summer monsoon. The results here underline that, along with the correct simulation of monsoon ISO, its IAV and relationship with the boundary forcing also need to be well captured in coupled models for the accurate simulation of seasonal mean anomalies of the monsoon and its teleconnections.

Cyclic deformation of bidisperse two-dimensional foams

NASA Astrophysics Data System (ADS)

Fátima Vaz, M.; Cox, S. J.; Teixeira, P. I. C.

2011-12-01

In-plane deformation of foams was studied experimentally by subjecting bidisperse foams to cycles of traction and compression at a prescribed rate. Each foam contained bubbles of two sizes with given area ratio and one of three initial arrangements: sorted perpendicular to the axis of deformation (iso-strain), sorted parallel to the axis of deformation (iso-stress), or randomly mixed. Image analysis was used to measure the characteristics of the foams, including the number of edges separating small from large bubbles N sl , the perimeter (surface energy), the distribution of the number of sides of the bubbles, and the topological disorder μ2(N). Foams that were initially mixed were found to remain mixed after the deformation. The response of sorted foams, however, depended on the initial geometry, including the area fraction of small bubbles and the total number of bubbles. For a given experiment we found that (i) the perimeter of a sorted foam varied little; (ii) each foam tended towards a mixed state, measured through the saturation of N sl ; and (iii) the topological disorder μ2(N) increased up to an "equilibrium" value. The results of different experiments showed that (i) the change in disorder, ? decreased with the area fraction of small bubbles under iso-strain, but was independent of it under iso-stress; and (ii) ? increased with ? under iso-strain, but was again independent of it under iso-stress. We offer explanations for these effects in terms of elementary topological processes induced by the deformations that occur at the bubble scale.

Studies of the 3D surface roughness height

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

Avisane, Anita; Rudzitis, Janis; Kumermanis, Maris

2013-12-16

Nowadays nano-coatings occupy more and more significant place in technology. Innovative, functional coatings acquire new aspects from the point of view of modern technologies, considering the aggregate of physical properties that can be achieved manipulating in the production process with the properties of coatings’ surfaces on micro- and nano-level. Nano-coatings are applied on machine parts, friction surfaces, contacting parts, corrosion surfaces, transparent conducting films (TCF), etc. The equipment available at present for the production of transparent conducting oxide (TCO) coatings with highest quality is based on expensive indium tin oxide (ITO) material; therefore cheaper alternatives are being searched for. Onemore » such offered alternative is zink oxide (ZnO) nano-coatings. Evaluating the TCF physical and mechanical properties and in view of the new ISO standard (EN ISO 25178) on the introduction of surface texture (3D surface roughness) in the engineering calculations, it is necessary to examine the height of 3D surface roughness, which is one of the most significant roughness parameters. The given paper studies the average values of 3D surface roughness height and the most often applied distribution laws are as follows: the normal distribution and Rayleigh distribution. The 3D surface is simulated by a normal random field.« less

Nanoscale Roughness and Morphology Affect the IsoElectric Point of Titania Surfaces

PubMed Central

Borghi, Francesca; Vyas, Varun; Podestà, Alessandro; Milani, Paolo

2013-01-01

We report on the systematic investigation of the role of surface nanoscale roughness and morphology on the charging behaviour of nanostructured titania (TiO2) surfaces in aqueous solutions. IsoElectric Points (IEPs) of surfaces have been characterized by direct measurement of the electrostatic double layer interactions between titania surfaces and the micrometer-sized spherical silica probe of an atomic force microscope in NaCl aqueous electrolyte. The use of a colloidal probe provides well-defined interaction geometry and allows effectively probing the overall effect of nanoscale morphology. By using supersonic cluster beam deposition to fabricate nanostructured titania films, we achieved a quantitative control over the surface morphological parameters. We performed a systematical exploration of the electrical double layer properties in different interaction regimes characterized by different ratios of characteristic nanometric lengths of the system: the surface rms roughness Rq, the correlation length ξ and the Debye length λD. We observed a remarkable reduction by several pH units of IEP on rough nanostructured surfaces, with respect to flat crystalline rutile TiO2. In order to explain the observed behavior of IEP, we consider the roughness-induced self-overlap of the electrical double layers as a potential source of deviation from the trend expected for flat surfaces. PMID:23874708

Morpho peleides butterfly wing imprints as structural colour stamp.

PubMed

Zobl, Sigrid; Salvenmoser, Willi; Schwerte, Thorsten; Gebeshuber, Ille C; Schreiner, Manfred

2016-02-02

This study presents the replication of a color-causing nanostructure based on the upper laminae of numerous cover scales of Morpho peleides butterfly wings and obtained solely by imprinting their upper-wing surfaces. Our results indicate that a simple casting technique using a novel integrated release agent can obtain a large positive replica using negative imprints via Polyvinylsiloxane. The developed method is low-tech and high-yield and is thus substantially easier and less expensive than previous methods. The microstructures were investigated with light microscopy, the nanostructures with both scanning and transmission electron microscopy, and the reflections with UV visible spectrometry. The influence of the release agent and the quality of the master stamp were determined by comparing measurements of the cover-scale sizes and their chromaticity values obtained by their images and with their positive imprints. The master stamp provided multiple positive replicas up to 3 cm(2) in just 1 h with structural coloration effects visible to the naked eye. Thus, the developed method proves the accuracy of the replicated nanostructure and its potential industrial application as a color-producing nanostamp.

Creating technical heritage object replicas in a virtual environment

NASA Astrophysics Data System (ADS)

Egorova, Olga; Shcherbinin, Dmitry

2016-03-01

The paper presents innovative informatics methods for creating virtual technical heritage replicas, which are of significant scientific and practical importance not only to researchers but to the public in general. By performing 3D modeling and animation of aircrafts, spaceships, architectural-engineering buildings, and other technical objects, the process of learning is achieved while promoting the preservation of the replicas for future generations. Modern approaches based on the wide usage of computer technologies attract a greater number of young people to explore the history of science and technology and renew their interest in the field of mechanical engineering.

A genetic algorithm for replica server placement

NASA Astrophysics Data System (ADS)

Eslami, Ghazaleh; Toroghi Haghighat, Abolfazl

2012-01-01

Modern distribution systems use replication to improve communication delay experienced by their clients. Some techniques have been developed for web server replica placement. One of the previous studies was Greedy algorithm proposed by Qiu et al, that needs knowledge about network topology. In This paper, first we introduce a genetic algorithm for web server replica placement. Second, we compare our algorithm with Greedy algorithm proposed by Qiu et al, and Optimum algorithm. We found that our approach can achieve better results than Greedy algorithm proposed by Qiu et al but it's computational time is more than Greedy algorithm.

A genetic algorithm for replica server placement

NASA Astrophysics Data System (ADS)

Eslami, Ghazaleh; Toroghi Haghighat, Abolfazl

2011-12-01

Modern distribution systems use replication to improve communication delay experienced by their clients. Some techniques have been developed for web server replica placement. One of the previous studies was Greedy algorithm proposed by Qiu et al, that needs knowledge about network topology. In This paper, first we introduce a genetic algorithm for web server replica placement. Second, we compare our algorithm with Greedy algorithm proposed by Qiu et al, and Optimum algorithm. We found that our approach can achieve better results than Greedy algorithm proposed by Qiu et al but it's computational time is more than Greedy algorithm.

Communication: Self-assembly of a model supramolecular polymer studied by replica exchange with solute tempering

NASA Astrophysics Data System (ADS)

Arefi, Hadi H.; Yamamoto, Takeshi

2017-12-01

Conventional molecular-dynamics (cMD) simulation has a well-known limitation in accessible time and length scales, and thus various enhanced sampling techniques have been proposed to alleviate the problem. In this paper, we explore the utility of replica exchange with solute tempering (REST) (i.e., a variant of Hamiltonian replica exchange methods) to simulate the self-assembly of a supramolecular polymer in explicit solvent and compare the performance with temperature-based replica exchange MD (T-REMD) as well as cMD. As a test system, we consider a relatively simple all-atom model of supramolecular polymerization (namely, benzene-1,3,5-tricarboxamides in methylcyclohexane solvent). Our results show that both REST and T-REMD are able to predict highly ordered polymer structures with helical H-bonding patterns, in contrast to cMD which completely fails to obtain such a structure for the present model. At the same time, we have also experienced some technical challenge (i.e., aggregation-dispersion transition and the resulting bottleneck for replica traversal), which is illustrated numerically. Since the computational cost of REST scales more moderately than T-REMD, we expect that REST will be useful for studying the self-assembly of larger systems in solution with enhanced rearrangement of monomers.

Connexin composition in apposed gap junction hemiplaques revealed by matched double-replica freeze-fracture replica immunogold labeling.

PubMed

Rash, John E; Kamasawa, Naomi; Davidson, Kimberly G V; Yasumura, Thomas; Pereda, Alberto E; Nagy, James I

2012-06-01

Despite the combination of light-microscopic immunocytochemistry, histochemical mRNA detection techniques and protein reporter systems, progress in identifying the protein composition of neuronal versus glial gap junctions, determination of the differential localization of their constituent connexin proteins in two apposing membranes and understanding human neurological diseases caused by connexin mutations has been problematic due to ambiguities introduced in the cellular and subcellular assignment of connexins. Misassignments occurred primarily because membranes and their constituent proteins are below the limit of resolution of light microscopic imaging techniques. Currently, only serial thin-section transmission electron microscopy and freeze-fracture replica immunogold labeling have sufficient resolution to assign connexin proteins to either or both sides of gap junction plaques. However, freeze-fracture replica immunogold labeling has been limited because conventional freeze fracturing allows retrieval of only one of the two membrane fracture faces within a gap junction, making it difficult to identify connexin coupling partners in hemiplaques removed by fracturing. We now summarize progress in ascertaining the connexin composition of two coupled hemiplaques using matched double-replicas that are labeled simultaneously for multiple connexins. This approach allows unambiguous identification of connexins and determination of the membrane "sidedness" and the identities of connexin coupling partners in homotypic and heterotypic gap junctions of vertebrate neurons.

Mechanochemical activation and gallium and indiaarsenides surface catalycity

NASA Astrophysics Data System (ADS)

Kirovskaya, I. A.; Mironova, E. V.; Umansky, I. V.; Brueva, O. Yu; Murashova, A. O.; Yureva, A. V.

2018-01-01

The present work has been carried out in terms of determining the possibilities for a clearer identification of the active sites nature, intermediate surface compounds nature, functional groups during adsorption and catalysis, activation of the diamond-like semiconductors surface (in particular, the AIIIBV type) based on mechanochemical studies of the “reaction medium (H2O, iso-C3H7OH) - dispersible semiconductor (GaAs, InAs)” systems. As a result, according to the read kinetic curves of dispersion in water, both acidification and alkalinization of the medium have been established and explained; increased activity of the newly formed surface has been noted; intermediate surface compounds, functional groups appearing on the real surface and under H2O adsorption conditions, adsorption and catalytic decomposition of iso-C3H7OH have been found (with explanation of the origin). The unconcealed role of coordinatively unsaturated atoms as active sites of these processes has been shown; the relative catalytic activity of the semiconductors studied has been evaluated. Practical recommendations on the preferred use of gallium arsenide in semiconductor gas analysis and semiconductor catalysis have been given in literature searches, great care should be taken in constructing both.

Fabibacter misakiensis sp. nov., a marine bacterium isolated from coastal surface water.

PubMed

Wong, Shu-Kuan; Park, Sanghwa; Lee, Jung-Sook; Lee, Keun Chul; Chiura, Hiroshi Xavier; Kogure, Kazuhiro; Hamasaki, Koji

2015-10-01

A slightly curved-rod-shaped, pink-pigmented, Gram-stain-negative, aerobic bacterial strain with gliding motility, designated SK-8T, was isolated from coastal surface water of Misaki, Japan. Phylogenetic trees generated using 16S rRNA gene sequences revealed that strain SK-8T belonged to the genus Fabibacter and showed 96.0 % sequence similarity to the type strain of the most closely related species, Fabibacter pacificus DY53T. The novel isolate was phenotypically and physiologically different from previously described strains. The major cellular fatty acids were iso-C15 : 1 G, iso-C15 : 0 and iso-C17 : 0 3-OH. Major polar lipids were phosphatidylethanolamine, two aminophospholipids and an unidentified phospholipid. The DNA G+C content was 39.1 mol% and MK-7 was the only predominant isoprenoid quinone. On the basis of this taxonomic study employing a polyphasic approach, it was suggested that strain SK-8T represents a novel species of the genus Fabibacter, with the newly proposed name Fabibacter misakiensis sp. nov. The type strain is SK-8T ( = NBRC 110216T = KCTC 32969T).

Probing protein orientation near charged nanosurfaces for simulation-assisted biosensor design.

PubMed

Cooper, Christopher D; Clementi, Natalia C; Barba, Lorena A

2015-09-28

Protein-surface interactions are ubiquitous in biological processes and bioengineering, yet are not fully understood. In biosensors, a key factor determining the sensitivity and thus the performance of the device is the orientation of the ligand molecules on the bioactive device surface. Adsorption studies thus seek to determine how orientation can be influenced by surface preparation, varying surface charge, and ambient salt concentration. In this work, protein orientation near charged nanosurfaces is obtained under electrostatic effects using the Poisson-Boltzmann equation, in an implicit-solvent model. Sampling the free energy for protein G B1 D4' at a range of tilt and rotation angles with respect to the charged surface, we calculated the probability of the protein orientations and observed a dipolar behavior. This result is consistent with published experimental studies and combined Monte Carlo and molecular dynamics simulations using this small protein, validating our method. More relevant to biosensor technology, antibodies such as immunoglobulin G are still a formidable challenge to molecular simulation, due to their large size. With the Poisson-Boltzmann model, we obtained the probability distribution of orientations for the iso-type IgG2a at varying surface charge and salt concentration. This iso-type was not found to have a preferred orientation in previous studies, unlike the iso-type IgG1 whose larger dipole moment was assumed to make it easier to control. Our results show that the preferred orientation of IgG2a can be favorable for biosensing with positive charge on the surface of 0.05 C/m(2) or higher and 37 mM salt concentration. The results also show that local interactions dominate over dipole moment for this protein. Improving immunoassay sensitivity may thus be assisted by numerical studies using our method (and open-source code), guiding changes to fabrication protocols or protein engineering of ligand molecules to obtain more favorable orientations.

Probing protein orientation near charged nanosurfaces for simulation-assisted biosensor design

NASA Astrophysics Data System (ADS)

Cooper, Christopher D.; Clementi, Natalia C.; Barba, Lorena A.

2015-09-01

Protein-surface interactions are ubiquitous in biological processes and bioengineering, yet are not fully understood. In biosensors, a key factor determining the sensitivity and thus the performance of the device is the orientation of the ligand molecules on the bioactive device surface. Adsorption studies thus seek to determine how orientation can be influenced by surface preparation, varying surface charge, and ambient salt concentration. In this work, protein orientation near charged nanosurfaces is obtained under electrostatic effects using the Poisson-Boltzmann equation, in an implicit-solvent model. Sampling the free energy for protein G B1 D4' at a range of tilt and rotation angles with respect to the charged surface, we calculated the probability of the protein orientations and observed a dipolar behavior. This result is consistent with published experimental studies and combined Monte Carlo and molecular dynamics simulations using this small protein, validating our method. More relevant to biosensor technology, antibodies such as immunoglobulin G are still a formidable challenge to molecular simulation, due to their large size. With the Poisson-Boltzmann model, we obtained the probability distribution of orientations for the iso-type IgG2a at varying surface charge and salt concentration. This iso-type was not found to have a preferred orientation in previous studies, unlike the iso-type IgG1 whose larger dipole moment was assumed to make it easier to control. Our results show that the preferred orientation of IgG2a can be favorable for biosensing with positive charge on the surface of 0.05 C/m2 or higher and 37 mM salt concentration. The results also show that local interactions dominate over dipole moment for this protein. Improving immunoassay sensitivity may thus be assisted by numerical studies using our method (and open-source code), guiding changes to fabrication protocols or protein engineering of ligand molecules to obtain more favorable orientations.

Replica-exchange molecular dynamics simulation of basic fibroblast growth factor adsorption on hydroxyapatite.

PubMed

Liao, Chenyi; Zhou, Jian

2014-06-05

The adsorption of basic fibroblast growth factor (bFGF) on the hydroxyapatite (001) surface was investigated by a combination of replica-exchange molecular dynamics (REMD) and conventional molecular dynamics (CMD) methods. In CMD, the protein cannot readily cross the surface water layer, whereas in REMD, the protein can cross the adsorption barrier from the surface water layer and go through weak, medium, then strong adsorption states with three energetically preferred configurations: heparin-binding-up (HP-up), heparin-binding-middle (HP-middle), and heparin-binding-down (HP-down). The HP-middle orientation, with the strongest adsorption energy (-1149 ± 40 kJ·mol(-1)), has the largest adsorption population (52.1-52.6%) and exhibits the largest conformational charge (RMSD of 0.26 ± 0.01 nm) among the three orientations. The HP-down and HP-up orientations, with smaller adsorption energies of -1022 ± 55 and -894 ± 70 kJ·mol(-1), respectively, have smaller adsorption populations of 27.4-27.7% and 19.7-20.5% and present smaller RMSD values of 0.21 ± 0.01 and 0.19 ± 0.01 nm, respectively. The convergent distribution indicates that nearly half of the population (in the HP-middle orientation) will support both FGF/FGFR and DGR-integrin signaling and another half (in the HP-up and HP-down orientations) will support DGR-integrin signaling. The major population (~80%) has the protein dipole directed outward. In the strong adsorption state, there are usually 2 to 3 basic residues that form the anchoring interactions of 210-332 kJ·mol(-1) per residue or that are accompanied by an acidic residue with an adsorption energy of ~207 kJ·mol(-1). Together, the major bound residues form a triangle or a quadrilateral on the surface and stabilize the adsorption geometrically, which indicates topologic matching between the protein and HAP surfaces.

Free and Forced Rossby Waves in the Western South China Sea Inferred from Jason-1 Satellite Altimetry Data

PubMed Central

Wu, Xiangyu; Xie, Qiang; He, Zhigang; Wang, Dongxiao

2008-01-01

Data from a subsurface mooring deployed in the western South China Sea shows clear intra-seasonal oscillations (ISO) at the period of 40∼70 days. Analysis of remotely-sensed sea surface height (SSH) anomalies in the same area indicates that these ISO signals propagate both eastward and westward. Time-longitude diagrams of ISO signals in SSH anomalies and wind-stress curl indicate that the eastward propagating SSH anomalies is forced by wind-stress curl. This is also confirmed by lag correlation between SSH anomalies and the wind-stress-curl index (wind stress curl averaged over 109.5°E -115°E and 12°N -13.5°N). Lag correlation of SSH anomaly suggests that the westward propagating signals are free Rossby waves. PMID:27879897

Validation of newly developed physical laparoscopy simulator in transabdominal preperitoneal (TAPP) inguinal hernia repair.

PubMed

Nishihara, Yuichi; Isobe, Yoh; Kitagawa, Yuko

2017-12-01

A realistic simulator for transabdominal preperitoneal (TAPP) inguinal hernia repair would enhance surgeons' training experience before they enter the operating theater. The purpose of this study was to create a novel physical simulator for TAPP inguinal hernia repair and obtain surgeons' opinions regarding its efficacy. Our novel TAPP inguinal hernia repair simulator consists of a physical laparoscopy simulator and a handmade organ replica model. The physical laparoscopy simulator was created by three-dimensional (3D) printing technology, and it represents the trunk of the human body and the bendability of the abdominal wall under pneumoperitoneal pressure. The organ replica model was manually created by assembling materials. The TAPP inguinal hernia repair simulator allows for the performance of all procedures required in TAPP inguinal hernia repair. Fifteen general surgeons performed TAPP inguinal hernia repair using our simulator. Their opinions were scored on a 5-point Likert scale. All participants strongly agreed that the 3D-printed physical simulator and organ replica model were highly useful for TAPP inguinal hernia repair training (median, 5 points) and TAPP inguinal hernia repair education (median, 5 points). They felt that the simulator would be effective for TAPP inguinal hernia repair training before entering the operating theater. All surgeons considered that this simulator should be introduced in the residency curriculum. We successfully created a physical simulator for TAPP inguinal hernia repair training using 3D printing technology and a handmade organ replica model created with inexpensive, readily accessible materials. Preoperative TAPP inguinal hernia repair training using this simulator and organ replica model may be of benefit in the training of all surgeons. All general surgeons involved in the present study felt that this simulator and organ replica model should be used in their residency curriculum.

Efficient Round-Trip Time Optimization for Replica-Exchange Enveloping Distribution Sampling (RE-EDS).

PubMed

Sidler, Dominik; Cristòfol-Clough, Michael; Riniker, Sereina

2017-06-13

Replica-exchange enveloping distribution sampling (RE-EDS) allows the efficient estimation of free-energy differences between multiple end-states from a single molecular dynamics (MD) simulation. In EDS, a reference state is sampled, which can be tuned by two types of parameters, i.e., smoothness parameters(s) and energy offsets, such that all end-states are sufficiently sampled. However, the choice of these parameters is not trivial. Replica exchange (RE) or parallel tempering is a widely applied technique to enhance sampling. By combining EDS with the RE technique, the parameter choice problem could be simplified and the challenge shifted toward an optimal distribution of the replicas in the smoothness-parameter space. The choice of a certain replica distribution can alter the sampling efficiency significantly. In this work, global round-trip time optimization (GRTO) algorithms are tested for the use in RE-EDS simulations. In addition, a local round-trip time optimization (LRTO) algorithm is proposed for systems with slowly adapting environments, where a reliable estimate for the round-trip time is challenging to obtain. The optimization algorithms were applied to RE-EDS simulations of a system of nine small-molecule inhibitors of phenylethanolamine N-methyltransferase (PNMT). The energy offsets were determined using our recently proposed parallel energy-offset (PEOE) estimation scheme. While the multistate GRTO algorithm yielded the best replica distribution for the ligands in water, the multistate LRTO algorithm was found to be the method of choice for the ligands in complex with PNMT. With this, the 36 alchemical free-energy differences between the nine ligands were calculated successfully from a single RE-EDS simulation 10 ns in length. Thus, RE-EDS presents an efficient method for the estimation of relative binding free energies.

A dynamic replication management strategy in distributed GIS

NASA Astrophysics Data System (ADS)

Pan, Shaoming; Xiong, Lian; Xu, Zhengquan; Chong, Yanwen; Meng, Qingxiang

2018-03-01

Replication strategy is one of effective solutions to meet the requirement of service response time by preparing data in advance to avoid the delay of reading data from disks. This paper presents a brand-new method to create copies considering the selection of replicas set, the number of copies for each replica and the placement strategy of all copies. First, the popularities of all data are computed considering both the historical access records and the timeliness of the records. Then, replica set can be selected based on their recent popularities. Also, an enhanced Q-value scheme is proposed to assign the number of copies for each replica. Finally, a reasonable copies placement strategy is designed to meet the requirement of load balance. In addition, we present several experiments that compare the proposed method with techniques that use other replication management strategies. The results show that the proposed model has better performance than other algorithms in all respects. Moreover, the experiments based on different parameters also demonstrated the effectiveness and adaptability of the proposed algorithm.

Evapotranspiration flux partitioning using an Iso-SPAC model in a temperate grassland ecosystem

NASA Astrophysics Data System (ADS)

Wang, P.

2014-12-01

To partition evapotranspiration (ET) into soil evaporation and vegetation transpiration (T), a new numerical Iso-SPAC (coupled heat, water with isotopic tracer in Soil-Plant-Atmosphere-Continuum) model was developed and applied to a temperate-grassland ecosystem in central Japan. Several models of varying complexity have been tested with the aim of obtaining the close to true value for the isotope composition of leaf water and transpiration flux. The agreement between the model predictions and observations demonstrates that the Iso-SPAC model with a steady-state assumption for transpiration flux can reproduce seasonal variations of all the surface energy balance components，leaf and ground surface temperature as well as isotope data (canopy foliage and ET flux). This good performance was confirmed not only at diurnal timescale but also at seasonal timescale. Thus, although the non-steady-state behavior of isotope budget in a leaf and isotopic diffusion between leaf and stem or root is exactly important, the steady-state assumption is practically acceptable for seasonal timescale as a first order approximation. Sensitivity analysis both in physical flux part and isotope part suggested that T/ET is relatively insensitive to uncertainties/errors in assigned model parameters and measured input variables, which illustrated the partitioning validity. Estimated transpiration fractions using isotope composition in ET flux by Iso-SPAC model and Keeling plot are generally in good agreement, further proving validity of the both approaches. However, Keeling plot approach tended to overestimate the fraction during an early stage of glowing season and a period just after clear cutting. This overestimation is probably due to insufficient fetch and influence of transpiration from upwind forest. Consequently, Iso-SPAC model is more reliable than Keeling plot approach in most cases.The T/ET increased with grass growth, and the sharp reduction caused by clear cutting was well reflected. The transpiration fraction ranges from 0.02 to 0.99 during growing seasons, and the mean value was 0.75 with a standard deviation of 0.24.

Czechoslovak Replica X-Ray Mirrors for Astronomical Applications

NASA Astrophysics Data System (ADS)

Hudec, R.; Valnicek, B.

Imaging X-ray mirrors has been developed in Czechoslovakia since 1970 by a way of two different replica technologies based on galvanoplastics and reactoplastics as a natural part of Czechoslovak X-ray astronomy program. Until now about 30 mirros with diameters between 1.7 and 24 cm were manufactured. Seven mirrors were flown in space experiments. The new technology used since 1981 allows to produce light-weight X-ray mirrors at relatively very low cost. The technology offers interesting possibilities in construction of (1) large arrays of identical optical systems, (2) very small (microscopic) mirros and (3) lobster-eye type optics. Advantages and drawbacks of replica techology are discussed.

Optimal temperature ladders in replica exchange simulations

NASA Astrophysics Data System (ADS)

Denschlag, Robert; Lingenheil, Martin; Tavan, Paul

2009-04-01

In replica exchange simulations, a temperature ladder with N rungs spans a given temperature interval. Considering systems with heat capacities independent of the temperature, here we address the question of how large N should be chosen for an optimally fast diffusion of the replicas through the temperature space. Using a simple example we show that choosing average acceptance probabilities of about 45% and computing N accordingly maximizes the round trip rates r across the given temperature range. This result differs from previous analyses which suggested smaller average acceptance probabilities of about 23%. We show that the latter choice maximizes the ratio r/N instead of r.

Passive acoustic source localization using sources of opportunity.

PubMed

Verlinden, Christopher M A; Sarkar, J; Hodgkiss, W S; Kuperman, W A; Sabra, K G

2015-07-01

The feasibility of using data derived replicas from ships of opportunity for implementing matched field processing is demonstrated. The Automatic Identification System (AIS) is used to provide the library coordinates for the replica library and a correlation based processing procedure is used to overcome the impediment that the replica library is constructed from sources with different spectra and will further be used to locate another source with its own unique spectral structure. The method is illustrated with simulation and then verified using acoustic data from a 2009 experiment for which AIS information was retrieved from the United States Coast Guard Navigation Center Nationwide AIS database.

Influence of collision on the flow through in-vitro rigid models of the vocal folds

NASA Astrophysics Data System (ADS)

Deverge, M.; Pelorson, X.; Vilain, C.; Lagrée, P.-Y.; Chentouf, F.; Willems, J.; Hirschberg, A.

2003-12-01

Measurements of pressure in oscillating rigid replicas of vocal folds are presented. The pressure upstream of the replica is used as input to various theoretical approximations to predict the pressure within the glottis. As the vocal folds collide the classical quasisteady boundary layer theory fails. It appears however that for physiologically reasonable shapes of the replicas, viscous effects are more important than the influence of the flow unsteadiness due to the wall movement. A simple model based on a quasisteady Bernoulli equation corrected for viscous effect, combined with a simple boundary layer separation model does globally predict the observed pressure behavior.

IsoNose - Isotopic Tools as Novel Sensors of Earth Surfaces Resources - A new Marie Curie Initial Training Network

NASA Astrophysics Data System (ADS)

von Blanckenburg, Friedhelm; Bouchez, Julien; Bouman, Caludia; Kamber, Balz; Gaillardet, Jérôme; Gorbushina, Anna; James, Rachael; Oelkers, Eric; Tesmer, Maja; Ashton, John

2015-04-01

The Marie Curie Initial Training Network »Isotopic Tools as Novel Sensors of Earth Surfaces Resources - IsoNose« is an alliance of eight international partners and five associated partners from science and industry. The project is coordinated at the Helmholtz Centre Potsdam GFZ German Research Centre for Geosciences and will run until February 2018. In the last 15 years advances in novel mass-spectrometric methods have opened opportunities to identify "isotopic fingerprints" of virtually all metals and to make use of the complete information contained in these fingerprints. The understanding developed with these new tools will ultimately guide the exploitation of Earth surface environments. However, progress in bringing these methods to end-users depends on a multi transfer of knowledge between (1) isotope Geochemistry and Microbiology, Environmental Sciences (2), Economic Geology and (3) instrument developers and users in the development of user-friendly and new mass spectrometric methods. IsoNose will focus on three major Earth surface resources: soil, water and metals. These resources are currently being exploited to an unprecedented extent and their efficient management is essential for future sustainable development. Novel stable isotope techniques will disclose the processes generating (e.g. weathering, mineral ore formation) and destroying (e.g. erosion, pollution) these resources. Within this field the following questions will be addressed and answered: - How do novel stable isotope signatures characterize weathering processes? - How do novel stable isotope signatures trace water transport? - How to use novel stable isotope as environmental tracers? - How to use novel stable isotope for detecting and exploring metal ores? - How to improve analytical capabilities and develop robust routine applications for novel stable isotopes? Starting from the central questions mentioned above the IsoNose activities are organized in five scientific work packages: 1. Making soil from rock 2. Dissolved metals in the global water cycle 3. Human influence on metal cycling 4. Innovations in metal ore exploration 5. New analytical tools Acknowledgement: The research leading to these results has received funding from the People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme FP7/2007-2013/ under REA grant agreement n° [608069].

A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories.

PubMed

Chattopadhyay, Aditya; Zheng, Min; Waller, Mark Paul; Priyakumar, U Deva

2018-05-23

Knowledge of the structure and dynamics of biomolecules is essential for elucidating the underlying mechanisms of biological processes. Given the stochastic nature of many biological processes, like protein unfolding, it's almost impossible that two independent simulations will generate the exact same sequence of events, which makes direct analysis of simulations difficult. Statistical models like Markov Chains, transition networks etc. help in shedding some light on the mechanistic nature of such processes by predicting long-time dynamics of these systems from short simulations. However, such methods fall short in analyzing trajectories with partial or no temporal information, for example, replica exchange molecular dynamics or Monte Carlo simulations. In this work we propose a probabilistic algorithm, borrowing concepts from graph theory and machine learning, to extract reactive pathways from molecular trajectories in the absence of temporal data. A suitable vector representation was chosen to represent each frame in the macromolecular trajectory (as a series of interaction and conformational energies) and dimensionality reduction was performed using principal component analysis (PCA). The trajectory was then clustered using a density-based clustering algorithm, where each cluster represents a metastable state on the potential energy surface (PES) of the biomolecule under study. A graph was created with these clusters as nodes with the edges learnt using an iterative expectation maximization algorithm. The most reactive path is conceived as the widest path along this graph. We have tested our method on RNA hairpin unfolding trajectory in aqueous urea solution. Our method makes the understanding of the mechanism of unfolding in RNA hairpin molecule more tractable. As this method doesn't rely on temporal data it can be used to analyze trajectories from Monte Carlo sampling techniques and replica exchange molecular dynamics (REMD).

Adaptive multi-GPU Exchange Monte Carlo for the 3D Random Field Ising Model

NASA Astrophysics Data System (ADS)

Navarro, Cristóbal A.; Huang, Wei; Deng, Youjin

2016-08-01

This work presents an adaptive multi-GPU Exchange Monte Carlo approach for the simulation of the 3D Random Field Ising Model (RFIM). The design is based on a two-level parallelization. The first level, spin-level parallelism, maps the parallel computation as optimal 3D thread-blocks that simulate blocks of spins in shared memory with minimal halo surface, assuming a constant block volume. The second level, replica-level parallelism, uses multi-GPU computation to handle the simulation of an ensemble of replicas. CUDA's concurrent kernel execution feature is used in order to fill the occupancy of each GPU with many replicas, providing a performance boost that is more notorious at the smallest values of L. In addition to the two-level parallel design, the work proposes an adaptive multi-GPU approach that dynamically builds a proper temperature set free of exchange bottlenecks. The strategy is based on mid-point insertions at the temperature gaps where the exchange rate is most compromised. The extra work generated by the insertions is balanced across the GPUs independently of where the mid-point insertions were performed. Performance results show that spin-level performance is approximately two orders of magnitude faster than a single-core CPU version and one order of magnitude faster than a parallel multi-core CPU version running on 16-cores. Multi-GPU performance is highly convenient under a weak scaling setting, reaching up to 99 % efficiency as long as the number of GPUs and L increase together. The combination of the adaptive approach with the parallel multi-GPU design has extended our possibilities of simulation to sizes of L = 32 , 64 for a workstation with two GPUs. Sizes beyond L = 64 can eventually be studied using larger multi-GPU systems.

Systematic expansion in the order parameter for replica theory of the dynamical glass transition.

PubMed

Jacquin, Hugo; Zamponi, Francesco

2013-03-28

It has been shown recently that predictions from mode-coupling theory for the glass transition of hard-spheres become increasingly bad when dimensionality increases, whereas replica theory predicts a correct scaling. Nevertheless if one focuses on the regime around the dynamical transition in three dimensions, mode-coupling results are far more convincing than replica theory predictions. It seems thus necessary to reconcile the two theoretic approaches in order to obtain a theory that interpolates between low-dimensional, mode-coupling results, and "mean-field" results from replica theory. Even though quantitative results for the dynamical transition issued from replica theory are not accurate in low dimensions, two different approximation schemes--small cage expansion and replicated hyper-netted-chain (RHNC)--provide the correct qualitative picture for the transition, namely, a discontinuous jump of a static order parameter from zero to a finite value. The purpose of this work is to develop a systematic expansion around the RHNC result in powers of the static order parameter, and to calculate the first correction in this expansion. Interestingly, this correction involves the static three-body correlations of the liquid. More importantly, we separately demonstrate that higher order terms in the expansion are quantitatively relevant at the transition, and that the usual mode-coupling kernel, involving two-body direct correlation functions of the liquid, cannot be recovered from static computations.

Producing samples for the organization of proficiency tests. Study of the homogeneity of replicas produced from two atmosphere generation systems.

PubMed

Freville, Laurence; Moulut, Jean-Claude; Grzebyk, Michel; Kauffer, Edmond

2010-08-01

This article describes two atmosphere generation systems used for the production of replicas. The first, the Sputnic system, is based on the Sputnic air sampler developed by the National Institute of Occupational Health in Oslo (Norway). It is used to generate asbestos fibres or silica particles and allows the simultaneous production, by means of sampling on filters, of up to 114 replicas. The second is a multipurpose system that allows dust sampling on foams used with the CIP 10-R device. Twenty samples can be taken simultaneously. In total, 120 series of samples allowed characterization of the variability of the two generation systems used for the production of replicas loaded with asbestos fibres or silica dust. The coefficients of variation characterizing the dispersion of the filter loading in the Sputnic system are <10% for high densities asbestos fibre or silica dust samples. The coefficient of dispersion is on average higher when the asbestos fibre density is lower. The differences observed between the measurements taken on the different crowns of the Sputnic system are low and <2%. The results obtained with the multipurpose system show that replica dispersion is on average equal to 4%, which will allow proposal in the near future of a proficiency test dedicated to the quantitative analysis of crystalline silica on foams sampled with the CIP 10-R device.

Multiscale implementation of infinite-swap replica exchange molecular dynamics.

PubMed

Yu, Tang-Qing; Lu, Jianfeng; Abrams, Cameron F; Vanden-Eijnden, Eric

2016-10-18

Replica exchange molecular dynamics (REMD) is a popular method to accelerate conformational sampling of complex molecular systems. The idea is to run several replicas of the system in parallel at different temperatures that are swapped periodically. These swaps are typically attempted every few MD steps and accepted or rejected according to a Metropolis-Hastings criterion. This guarantees that the joint distribution of the composite system of replicas is the normalized sum of the symmetrized product of the canonical distributions of these replicas at the different temperatures. Here we propose a different implementation of REMD in which (i) the swaps obey a continuous-time Markov jump process implemented via Gillespie's stochastic simulation algorithm (SSA), which also samples exactly the aforementioned joint distribution and has the advantage of being rejection free, and (ii) this REMD-SSA is combined with the heterogeneous multiscale method to accelerate the rate of the swaps and reach the so-called infinite-swap limit that is known to optimize sampling efficiency. The method is easy to implement and can be trivially parallelized. Here we illustrate its accuracy and efficiency on the examples of alanine dipeptide in vacuum and C-terminal β-hairpin of protein G in explicit solvent. In this latter example, our results indicate that the landscape of the protein is a triple funnel with two folded structures and one misfolded structure that are stabilized by H-bonds.

Echinicola rosea sp. nov., a marine bacterium isolated from surface seawater.

PubMed

Liang, Pan; Sun, Jia; Li, Hao; Liu, Minyuan; Xue, Zhaocheng; Zhang, Yao

2016-09-01

A novel Gram-stain-negative, rod-shaped, gliding, halotolerant, aerobic, light-pink-pigmented bacterium, strain JL3085T, was isolated from surface water of the South China Sea (16° 49' 4″ N 112° 20' 24″ E; temperature: 28.3 °C, salinity: 34.5%). The major respiratory quinone was menaquinone 7 (MK-7). The polar lipids of strain JL3085T comprised phosphatidylethanolamine, four unidentified phospholipids and three unidentified lipids. The major fatty acids were iso-C15 : 0, summed feature 3 (comprising iso-C15 : 0 2-OH and/or C16 : 1ω7c), iso-C17 : 0 3-OH, iso-C17 : 1ω9c, C17 : 1ω6c, anteiso-C15 : 0 and C16 : 1ω5c. The DNA G+C content of strain JL3085T was 43.8 mol%. 16S rRNA gene sequence analysis indicated that strain JL3085T was affiliated with the genus Echinicola, a member of the phylum Bacteroidetes, and was related most closely to Echinicola vietnamensis KMM 6221T (96.8 % similarity). DNA-DNA relatedness between strain JL3085T and E. vietnamensis KMM 6221T was 27.5 %. Based on the evidence presented here, strain JL3085T is regarded as representing a novel species of the genus Echinicola, for which the name Echinicola rosea sp. nov. is proposed. The type strain is JL3085T (=NBRC 111782T=CGMCC 1.15407T).

Moment tensor and location of seismic events in the 2017 DPRK test

NASA Astrophysics Data System (ADS)

Wei, S.; Shi, Q.; Chen, Q. F.; Wang, T.

2017-12-01

The main seismic event in the 2017 DPRK test was followed by a secondary event about eight minutes later. We conducted waveform analysis on the regional broadband waveform data to better constrain the moment tensor and location of these two events, to further understand their relations. In the first place, we applied the generalized Cut-And-Paste (gCAP) method to the regional data to invert the full moment tensor solutions of the two events. Our long period (0.02-0.08 Hz for Pnl, 0.02-0.055 Hz for surface waves) inversions show that the main event was composed of large positive ISO component ( 90% of the total moment) and has a moment magnitude of 5.4. In contrast, the second event shows large negative ISO component ( 50% of the total moment) with a moment magnitude of 4.5. Although there are trade-offs between the CLVD and the ISO component for the second event, chiefly caused by the coda waves from the first event, the result is more robust if we force a small CVLD component in the inversion. We also relocated the epicenter of the second event using P-wave first arrival picks, relative to the location of the first event, which has been accurately determined from the high-resolution geodetic data. The calibration from the first event allows us to precisely locate the second event, which shows an almost identical location to the first event. After a polarity correction, their high-frequency ( 0.25 - 0.9 Hz) regional surface waves also display high similarity, supporting the similar location but opposite ISO polarity of the two events. Our results suggest that the second event was likely to be caused by the collapsing after the main event, in agreement with the surface displacement derived from geodetic observation and modeling results.

Effect of a novel benzimidazole derivative in experimental Schistosoma mansoni infection.

PubMed

El Bialy, Serry A; Taman, Amira; El-Beshbishi, Samar N; Mansour, Basem; El-Malky, Mohamed; Bayoumi, Waleed A; Essa, Hassan M

2013-12-01

Currently, praziquantel is the only drug of choice for treatment of schistosomiasis. Reports of praziquantel resistance raise concerns about future control of the disease. Therefore, the search for new schistosomicidal drugs is eminent. In this study, the effect of a novel benzimidazole-derived compound (compound BTP-Iso) was assessed in mice harboring adult Schistosoma mansoni (Egyptian strain). Mice were treated 42 days p.i. with compound BTP-Iso using two treatment regimens (200 or 300 mg/kg). In both regimens, there were significant reductions in the number of recovered S. mansoni worms especially females and in immature ova, in addition to a significant reduction in the number and size of hepatic granulomata. A dose of 300 mg/kg resulted in a significant decrease in intestinal and hepatic tissue egg loads. Effect on schistosomes was confirmed by scanning electron microscopy, where adult worms recovered from mice treated with 200 mg/kg of compound BTP-Iso revealed tegumental alternations, characterised by swelling of tegumental ridges, bleb formation, and mild erosion in male worms; however in females, there were extensive erosion and destruction of the tegumental surface. These promising results may encourage future use of compound BTP-Iso in the treatment of schistosomiasis. However, more research is needed to detect the effect of compound BTP-Iso on early developmental stages of S. mansoni and on other species of human schistosomes.

77 FR 12240 - Application(s) for Duty-Free Entry of Scientific Instruments

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-29

... Institute, 5353 Parkside Dr MC 19-RE, Jupiter, FL 33458. Instrument: Freeze Fracture/Freeze Etch device... localization of membrane proteins using freeze fracture replica immuno- gold labeling, including all kinds of receptors and channels. Because freeze-fracture replica immuno-gold labeling has a high sensitivity for the...

Replica of the Presidential Medal of Freedom Award

NASA Image and Video Library

1970-04-18

S70-35562 (April 1970) --- A photographic replica of the Presidential Medal of Freedom Award which President Richard M. Nixon presented to the Apollo 13 Missions Operations Team (MOT). The presentation was made by the Chief Executive during a visit to the Manned Spacecraft Center (MSC) in April 1970.

Cell wall formation in zoospores of Allomyces arbuscula. II. Development of surface structure of encysted haploid zoospores, rhizoids, and hyphae.

PubMed

Kroh, M; Hendriks, H; Kirby, E G; Sassen, M M

1976-08-01

Development of haploid meiospores of Allomyces arbuscula into germling cells with rhizoids and hyphae was followed during incubation in complete growth medium. The surface structure of encysted meiospores, rhizoids and hyphae before and after extraction of amorphous materials with ethanolic KOH was studied by means of carbon-platinum replicas. After 2--3 min incubation in complete medium 10% of the meiospores were surrounded by a cell wall containing microfibrils embedded in a matrix. Structure of cell walls of encysted meiospores, rhizoids, and hyphae differ from one another by the location of amorphous materials and by the arrangement of chitin microfibrils.

Functional and morphological studies of photodamaged skin on the hands of middle-aged Japanese golfers.

PubMed

Kikuchi-Numagami, K; Suetake, T; Yanai, M; Takahashi, M; Tanaka, M; Tagami, H

2000-06-01

The skin of golfers' hands provides a suitable model to study the effect of chronic sun exposure, because one of their hands is exposed to the outer environment, especially sunlight, while the other one is always protected by a glove during play. Our purpose was to find out the influence of photodamage on the properties of the skin surface of middle-aged Japanese by using non-invasive methods. We measured hydration state, and water barrier function of the stratum corneum (SC) and the color of the skin of the dorsum of the hands. In a separate study, we evaluated the skin surface contour by using replicas taken from the skin in a slightly stretched or relaxed position. We found a significant decrease in hydration of the skin surface of the exposed skin as compared to that of the protected skin, whereas no such difference was found with transepidermal water loss, a parameter for water barrier function of the SC. Luminance of skin color was also reduced in the sun-exposed skin. Replica analysis revealed that large wrinkles developing in a relaxed position were more prominent on the exposed than on the protected skin, while fine furrows noted in a slightly stretched position were shallower on the former than the latter. The data obtained indicate that the chronically exposed skin of golfers' hands shows morphological and functional changes resulting from long time exposure to the outer environment especially sunlight. Furthermore, bioengineering non-invasive methods are found to be useful to detect early photodamage of the skin in a more quantitative fashion which is rather difficult to demonstrate clinically.

Patuxent River NAS, Maryland. Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F.

DTIC Science & Technology

1982-05-14

1L,99 *7 10 1i J S2 1.3 *9 ISO ~ ~ .1 61 07 6112 *26 9 . S3 .35 . : .9 : 1609 01 .5 3:01 .6 T 2.5 .9 69 3.? S41 141 2:4 0; TJ 1T em 41 eY .7 15 16...v. 1.1 2.6 1.5 *I S.4 S.% 9 1*7 0.31 . 2.9 4*9 08 O_____ 2.S 6.31 0-- 1 r *1---------------------------5 3*31 - 1.0 .6 165_ i.,-i ( 1*s 2.1 ISO *1 5.0...1.6 449 l.1 *1 7.5 .0 ISO 1. Z.0 1.4 e1 I__ I ___ 1 ___ ____ 05 5.o (u 1* .54 -T -TT- .a. 1.0 2.2 1.* 2__ _______ . T ( ~s 13 * 1.1 1.2 __ __ __ 2.7

Andrews AFB, Washington, District of Columbia. Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F

DTIC Science & Technology

1974-03-14

boo Sol 15,71 2092 2573 c 1 15m17 2,6 6,9 ___ ___ 69j 493 13,1 17,0 2576 18-20 312 7,3 TO_ ___ __ 73056 ISO 20,21 2576 2102 2, o # 8,5 1397 to...PEES MEAN 2KT$ 1TCUA SUR AC W- .1 11 7.12 2 8-33-04 4 8.3 5 IND D T DIR.S SPEED NTAI# TAIO O es5 TE1mS 50 1 NNE CO3IT7O9 : NE ot ISO *6 ae , 4,* 7,4 E...2.33 34.40 41.47 48 • 56 % WINDDIR. IISPEED N , 2,. 2,1 lea ,4 6, 8,4 N E a’ log 0, t * 3 , alai NE ISO ] , a 1. 62 7.4 E E I t 11 1 1 4 a 7 , 7 1

Frobisher Bay, Baffin Island, Northwest Territories, Canada. Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F.

DTIC Science & Technology

1970-01-29

1.4 a,? 42 /.0f 48 1.4*1 13.1 NNE ed ,~ *1 ., 111.2 TNE 1.j 142 Io . 2 ,, 7( ENE 0 4~ 0 ?1.I EST ~ ~ ~ * , t* e,6 , SE lob .0 .6 1.2 1.0) * 6 ISO , 11.4...47 48 55 56 % WINDfill" SPEED .. L . 1.4 11.4 :~~ 4 e107SO at OA .4 *1 ISO to 4 Z8Ř J,6 .- 4..) 1 .a. .1 4I .’.o I -1 1 0,, 7.’ Li,7 21.0 27.7 10.1 5...93e. 94*, 924,.90 95, 93. 1j 9’, >_ o 73,! e2, 8 ,3 87, 89,-. 89, 9j, 92. 92o. 9*, 95,. 93, 96. 96, 96,. 9*, __ 2__ 9* 9. 790 ISo 1 1, :6:1 8:o: 1

Functional implications of orientation maps in primary visual cortex

NASA Astrophysics Data System (ADS)

Koch, Erin; Jin, Jianzhong; Alonso, Jose M.; Zaidi, Qasim

2016-11-01

Stimulus orientation in the primary visual cortex of primates and carnivores is mapped as iso-orientation domains radiating from pinwheel centres, where orientation preferences of neighbouring cells change circularly. Whether this orientation map has a function is currently debated, because many mammals, such as rodents, do not have such maps. Here we show that two fundamental properties of visual cortical responses, contrast saturation and cross-orientation suppression, are stronger within cat iso-orientation domains than at pinwheel centres. These differences develop when excitation (not normalization) from neighbouring oriented neurons is applied to different cortical orientation domains and then balanced by inhibition from un-oriented neurons. The functions of the pinwheel mosaic emerge from these local intra-cortical computations: Narrower tuning, greater cross-orientation suppression and higher contrast gain of iso-orientation cells facilitate extraction of object contours from images, whereas broader tuning, greater linearity and less suppression of pinwheel cells generate selectivity for surface patterns and textures.

Preparation of silane-functionalized silica films via two-step dip coating sol-gel and evaluation of their superhydrophobic properties

NASA Astrophysics Data System (ADS)

Ramezani, Maedeh; Vaezi, Mohammad Reza; Kazemzadeh, Asghar

2014-10-01

In this paper, we study the two-step dip coating via a sol-gel process to prepare superhydrophobic silica films on the glass substrate. The water repellency of the silica films was controlled by surface silylation method using isooctyltrimethoxysilane (iso-OTMS) as a surface modifying agent. Silica alcosol was synthesized by keeping the molar ratio of ethyltriethoxysilane (ETES) precursor, ethanol (EtOH) solvent, water (H2O) was kept constant at 1:36:6.6 respectively, with 6 M NH4OH throughout the experiment and the percentages of hydrophobic agent in hexane bath was varied from 0 to 15 vol.%. The static water contact angle values of the silica films increased from 108° to 160° with an increase in the vol.% of iso-OTMS. At 15 vol%. of iso-OTMS, the silica film shows static water contact angle as high as 160°. The superhydrophobic silica films are thermally stable up to 440 °C and above this temperature, the silica films lose superhydrophobicity. By controlling the primer particle size of SiO2 about 26 nm, leading to decrease the final size of silica nanoparticles after modification of nanoparticles by isooctyltrimethoxysilane about 42 nm. The films are transparent and have uniform size on the surface. The silica films have been characterized by atomic force microscopy (AFM), fourier transform infrared spectroscopy (FT-IR), transparency, contact angle measurement (CA), Zeta-potential, Thermal stability by TG-DTA analysis.

Electron and Light Microscopy Techniques Suitable for Studying Fatigue Damage in a Crystallized Glass Ceramic

NASA Technical Reports Server (NTRS)

Harrell, Shelley; Zaretsky, Erwin V.

1961-01-01

The crystals of Pyroceram are randomly oriented and highly reflective so that standard microscopy techniques are not satisfactory for studying this material. Standard replicating procedures proved difficult to use. New microscopy techniques and procedures have therefore been developed. A method for locating, orienting, and identifying specific areas to be viewed with an electron microscope is described. This method not require any special equipment. Plastic replicas were found to be unsatisfactory because of their tendency to adhere to Pryoceram. This caused them to tear when released or resulted in artifacts. Preshadowed silicon monoxide replicas were satisfactory but required a releasing agent. A method of depositing the releasing agent is described. To polish specimens without evidence of fire-polishing, it was found necessary to use a vibratory polishing technique. Chrome oxide was used as the abrasive and either water or kerosene as the lubricant. Vibratory polishing is extremely slow, but surfaces so polished show no evidence of fire polishing, even when examined by electron microscopy. The most satisfactory etching process used for Pyroceram 9608 consisted of a primary etch of 5 milliliters of hydrochloric acid (concentrated), 5 milliliters of hydrogen fluoride (45 percent), and 45 milliliters of water, and a secondary etch with methyl alcohol replacing the water. Best results were obtained with total etching times from 25 to 30 seconds. Staining of the Pyroceram surface with a Sanford's marker was found to be an expedient way to reduce the glare of reflected light.

Studies of Dirac and Weyl fermions by angle resolved photoemission spectroscopy

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

Huang, Lunan

2016-01-01

This dissertation consists of three parts. First, we study magnetic domains in Nd 2Fe 14B single crystals using high resolution magnetic force microscopy (MFM). In addition to the elongated, wavy nano-domains reported by a previous MFM study, we found that the micrometer size, star-shaped fractal pattern is constructed of an elongated network of nano-domains about 20 nm in width, with resolution-limited domain walls thinner than 2 nm. Second, we studied extra Dirac cones of multilayer graphene on SiC surface by ARPES and SPA-LEED. We discovered extra Dirac cones on Fermi surface due to SiC 6 x 6 and graphene 6√more » 3 6√ 3 coincidence lattice on both single-layer and three-layer graphene sheets. We interpreted the position and intensity of the Dirac cone replicas, based on the scattering vectors from LEED patterns. We found the positions of replica Dirac cones are determined mostly by the 6 6 SiC superlattice even graphene layers grown thicker. Finally, we studied the electronic structure of MoTe 2 by ARPES and experimentally con rmed the prediction of type II Weyl state in this material. By combining the result of Density Functional Theory calculations and Berry curvature calculations with out experimental data, we identi ed Fermi arcs, track states and Weyl points, all features predicted to exist in a type II Weyl semimetal. This material is an excellent playground for studies of exotic Fermions.« less

Corrosion investigation of fire-gilded bronze involving high surface resolution spectroscopic imaging

NASA Astrophysics Data System (ADS)

Masi, G.; Chiavari, C.; Avila, J.; Esvan, J.; Raffo, S.; Bignozzi, M. C.; Asensio, M. C.; Robbiola, L.; Martini, C.

2016-03-01

Gilded bronzes are often affected by severe corrosion, due to defects in the Au layer and Au/Cu alloy galvanic coupling, stimulated by large cathodic area of the gilded layer. Galvanic corrosion, triggered by gilding defects, leads to products growth at the Au/bronze interface, inducing blistering or break-up of the Au layer. In this context, fire-gilded bronze replicas prepared by ancient methods (use of spreadable Au-Hg paste) was specifically characterised by compiling complementary spectroscopic and imaging information before/after accelerated ageing with synthetic rain. Fire-gilded bronze samples were chemically imaged in cross-section at nano-metric scale (<200 nm) using high energy and lateral resolution synchrotron radiation photoemission (HR-SRPES) of core levels and valence band after conventional characterisation of the samples by Glow Discharge optical Emission Spectroscopy (GD-OES) and conventional X-ray photoelectron spectroscopy (XPS). We have found a net surface enrichment in Zn and Sn after fire-gilding and presence of metallic Hg, Pb and Cu within the Au layer. Moreover, the composition distribution of the elements together with their oxidation has been determined. It was also revealed that metallic phases including Hg and Pb remain in the gilding after corrosion. Moreover, selective dissolution of Zn and Cu occurs in the crater due to galvanic coupling, which locally induces relative Sn species enrichment (decuprification). The feasibility advantages and disadvantages of chemical imaging using HR-SRPES to study artworks have been investigated on representative replicas.

Bio-recognition and functional lipidomics by glycosphingolipid transfer technology

PubMed Central

TAKI, Takao

2013-01-01

Through glycosphingolipid biochemical research, we developed two types of transcription technologies. One is a biochemical transfer of glycosphingolipids to peptides. The other is a physicochemical transfer of glycosphingolipids in silica gel to the surface of a plastic membrane. Using the first technology, we could prepare peptides which mimic the shapes of glycosphingolipid molecules by biopanning with a phage-displayed peptide library and anti-glycosphingolipid antibodies as templates. The peptides thus obtained showed biological properties and functions similar to those of the original glycosphingolipids, such as lectin binding, glycosidase modulation, inhibition of tumor metastasis and immune response against the original antigen glycosphingolipid, and we named them glyco-replica peptides. The results showed that the newly prepared peptides could be used effectively as a bio-recognition system and suggest that the glyco-replica peptides can be widely applied to therapeutic fields. Using the second technology, we could establish a functional lipidomics with a thin-layer chromatography-blot/matrix-assisted laser desorption ionization-time of flight mass spectrometry (TLC-Blot/MALDI-TOF MS) system. By transferring glycosphingolipids on a plastic membrane surface from a TLC plate, innovative biochemical approaches such as simple purification of individual glycosphingolipids, binding studies, and enzyme reactions could be developed. The combinations of these biochemical approaches and MALDI-TOF MS on the plastic membrane could provide new strategies for glycosphingolipid science and the field of lipidomics. In this review, typical applications of these two transfer technologies are introduced. PMID:23883610

Replication Strategy for Spatiotemporal Data Based on Distributed Caching System

PubMed Central

Xiong, Lian; Tao, Yang; Xu, Juan; Zhao, Lun

2018-01-01

The replica strategy in distributed cache can effectively reduce user access delay and improve system performance. However, developing a replica strategy suitable for varied application scenarios is still quite challenging, owing to differences in user access behavior and preferences. In this paper, a replication strategy for spatiotemporal data (RSSD) based on a distributed caching system is proposed. By taking advantage of the spatiotemporal locality and correlation of user access, RSSD mines high popularity and associated files from historical user access information, and then generates replicas and selects appropriate cache node for placement. Experimental results show that the RSSD algorithm is simple and efficient, and succeeds in significantly reducing user access delay. PMID:29342897

NASA STS-132 Air and Space Museum

NASA Image and Video Library

2010-07-26

A replica of the Nobel Prize that is in the museum's collection and was flown aboard STS-132 Atlantis is seen, Tuesday, July 27, 2010, at the Smithsonian National Air and Space Museum in Washington. STS-132 astronaut Piers Sellers returned the replica during a ceremony at the museum. Photo Credit: (NASA/Paul E. Alers)

Transition in coupled replicas may not imply a finite-temperature ideal glass transition in glass-forming systems.

PubMed

Garrahan, Juan P

2014-03-01

A key open question in the glass transition field is whether a finite temperature thermodynamic transition to the glass state exists or not. Recent simulations of coupled replicas in atomistic models have found signatures of a static transition as a function of replica coupling. This can be viewed as evidence of an associated thermodynamic glass transition in the uncoupled system. We demonstrate here that a different interpretation is possible. We consider the triangular plaquette model, an interacting spin system which displays (East model-like) glassy dynamics in the absence of any static transition. We show that when two replicas are coupled, there is a curve of equilibrium phase transitions, between phases of small and large overlap, in the temperature-coupling plane (located on the self-dual line of an exact temperature-coupling duality of the system) which ends at a critical point. Crucially, in the limit of vanishing coupling the finite temperature transition disappears, and the uncoupled system is in the disordered phase at all temperatures. We discuss an interpretation of atomistic simulations in light of this result.

Skin microrelief profiles as a cutaneous aging index.

PubMed

Kim, Dai Hyun; Rhyu, Yeon Seung; Ahn, Hyo Hyun; Hwang, Eenjun; Uhm, Chang Sub

2016-10-01

An objective measurement of cutaneous topographical information is important for quantifying the degree of skin aging. Our aim was to improve methods for measuring microrelief patterns using a three-dimensional analysis based on silicone replicas and scanning electron microscope (SEM). Another objective was to compare the results with those obtained using a two-dimensional analysis method based on dermoscopy. Silicone replicas were obtained from forearms, dorsum of the hands and fingers of 51 volunteers. Cutaneous profiles obtained by SEM with silicone replicas showed more consistent correlations with age than data obtained by dermoscopy. This indicates the advantage of three-dimensional topography analysis using silicone replicas and SEM over the widely used dermoscopic assessment. The cutaneous age was calculated using stepwise linear regression, and the result was 57.40-9.47 × (number of furrows on dorsum of the hand) × (width of furrows on dorsum of the hand). © The Author 2016. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

How hot? Systematic convergence of the replica exchange method using multiple reservoirs.

PubMed

Ruscio, Jory Z; Fawzi, Nicolas L; Head-Gordon, Teresa

2010-02-01

We have devised a systematic approach to converge a replica exchange molecular dynamics simulation by dividing the full temperature range into a series of higher temperature reservoirs and a finite number of lower temperature subreplicas. A defined highest temperature reservoir of equilibrium conformations is used to help converge a lower but still hot temperature subreplica, which in turn serves as the high-temperature reservoir for the next set of lower temperature subreplicas. The process is continued until an optimal temperature reservoir is reached to converge the simulation at the target temperature. This gradual convergence of subreplicas allows for better and faster convergence at the temperature of interest and all intermediate temperatures for thermodynamic analysis, as well as optimizing the use of multiple processors. We illustrate the overall effectiveness of our multiple reservoir replica exchange strategy by comparing sampling and computational efficiency with respect to replica exchange, as well as comparing methods when converging the structural ensemble of the disordered Abeta(21-30) peptide simulated with explicit water by comparing calculated Rotating Overhauser Effect Spectroscopy intensities to experimentally measured values. Copyright 2009 Wiley Periodicals, Inc.

General Formalism of Mass Scaling Approach for Replica-Exchange Molecular Dynamics and its Application

NASA Astrophysics Data System (ADS)

Nagai, Tetsuro

2017-01-01

Replica-exchange molecular dynamics (REMD) has demonstrated its efficiency by combining trajectories of a wide range of temperatures. As an extension of the method, the author formalizes the mass-manipulating replica-exchange molecular dynamics (MMREMD) method that allows for arbitrary mass scaling with respect to temperature and individual particles. The formalism enables the versatile application of mass-scaling approaches to the REMD method. The key change introduced in the novel formalism is the generalized rules for the velocity and momentum scaling after accepted replica-exchange attempts. As an application of this general formalism, the refinement of the viscosity-REMD (V-REMD) method [P. H. Nguyen, J. Chem. Phys. 132, 144109 (2010)] is presented. Numerical results are provided using a pilot system, demonstrating easier and more optimized applicability of the new version of V-REMD as well as the importance of adherence to the generalized velocity scaling rules. With the new formalism, more sound and efficient simulations will be performed.

Multidimensional generalized-ensemble algorithms for complex systems.

PubMed

Mitsutake, Ayori; Okamoto, Yuko

2009-06-07

We give general formulations of the multidimensional multicanonical algorithm, simulated tempering, and replica-exchange method. We generalize the original potential energy function E(0) by adding any physical quantity V of interest as a new energy term. These multidimensional generalized-ensemble algorithms then perform a random walk not only in E(0) space but also in V space. Among the three algorithms, the replica-exchange method is the easiest to perform because the weight factor is just a product of regular Boltzmann-like factors, while the weight factors for the multicanonical algorithm and simulated tempering are not a priori known. We give a simple procedure for obtaining the weight factors for these two latter algorithms, which uses a short replica-exchange simulation and the multiple-histogram reweighting techniques. As an example of applications of these algorithms, we have performed a two-dimensional replica-exchange simulation and a two-dimensional simulated-tempering simulation using an alpha-helical peptide system. From these simulations, we study the helix-coil transitions of the peptide in gas phase and in aqueous solution.

Scalable free energy calculation of proteins via multiscale essential sampling

NASA Astrophysics Data System (ADS)

Moritsugu, Kei; Terada, Tohru; Kidera, Akinori

2010-12-01

A multiscale simulation method, "multiscale essential sampling (MSES)," is proposed for calculating free energy surface of proteins in a sizable dimensional space with good scalability. In MSES, the configurational sampling of a full-dimensional model is enhanced by coupling with the accelerated dynamics of the essential degrees of freedom. Applying the Hamiltonian exchange method to MSES can remove the biasing potential from the coupling term, deriving the free energy surface of the essential degrees of freedom. The form of the coupling term ensures good scalability in the Hamiltonian exchange. As a test application, the free energy surface of the folding process of a miniprotein, chignolin, was calculated in the continuum solvent model. Results agreed with the free energy surface derived from the multicanonical simulation. Significantly improved scalability with the MSES method was clearly shown in the free energy calculation of chignolin in explicit solvent, which was achieved without increasing the number of replicas in the Hamiltonian exchange.

Numerical and experimental validation for the thermal transmittance of windows with cellular shades

DOE PAGES

Hart, Robert

2018-02-21

Some highly energy efficient window attachment products are available today, but more rapid market adoption would be facilitated by fair performance metrics. It is important to have validated simulation tools to provide a basis for this analysis. This paper outlines a review and validation of the ISO 15099 center-of-glass zero-solar-load heat transfer correlations for windows with cellular shades. Thermal transmittance was measured experimentally, simulated using computational fluid dynamics (CFD) analysis, and simulated utilizing correlations from ISO 15099 as implemented in Berkeley Lab WINDOW and THERM software. CFD analysis showed ISO 15099 underestimates heat flux of rectangular cavities by up tomore » 60% when aspect ratio (AR) = 1 and overestimates heat flux up to 20% when AR = 0.5. CFD analysis also showed that wave-type surfaces of cellular shades have less than 2% impact on heat flux through the cavities and less than 5% for natural convection of room-side surface. WINDOW was shown to accurately represent heat flux of the measured configurations to a mean relative error of 0.5% and standard deviation of 3.8%. Finally, several shade parameters showed significant influence on correlation accuracy, including distance between shade and glass, inconsistency in cell stretch, size of perimeter gaps, and the mounting hardware.« less

Numerical and experimental validation for the thermal transmittance of windows with cellular shades

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

Hart, Robert

Some highly energy efficient window attachment products are available today, but more rapid market adoption would be facilitated by fair performance metrics. It is important to have validated simulation tools to provide a basis for this analysis. This paper outlines a review and validation of the ISO 15099 center-of-glass zero-solar-load heat transfer correlations for windows with cellular shades. Thermal transmittance was measured experimentally, simulated using computational fluid dynamics (CFD) analysis, and simulated utilizing correlations from ISO 15099 as implemented in Berkeley Lab WINDOW and THERM software. CFD analysis showed ISO 15099 underestimates heat flux of rectangular cavities by up tomore » 60% when aspect ratio (AR) = 1 and overestimates heat flux up to 20% when AR = 0.5. CFD analysis also showed that wave-type surfaces of cellular shades have less than 2% impact on heat flux through the cavities and less than 5% for natural convection of room-side surface. WINDOW was shown to accurately represent heat flux of the measured configurations to a mean relative error of 0.5% and standard deviation of 3.8%. Finally, several shade parameters showed significant influence on correlation accuracy, including distance between shade and glass, inconsistency in cell stretch, size of perimeter gaps, and the mounting hardware.« less

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

Zarzycki, Piotr P.; Rosso, Kevin M.

Replica Kinetic Monte Carlo simulations were used to study the characteristic time scales of potentiometric titration of the metal oxides and (oxy)hydroxides. The effect of surface heterogeneity and surface transformation on the titration kinetics were also examined. Two characteristic relaxation times are often observed experimentally, with the trailing slower part attributed to surface non-uniformity, porosity, polymerization, amorphization, and other dynamic surface processes induced by unbalanced surface charge. However, our simulations show that these two characteristic relaxation times are intrinsic to the proton binding reaction for energetically homogeneous surfaces, and therefore surface heterogeneity or transformation do not necessarily need to bemore » invoked. However, all such second-order surface processes are found to intensify the separation and distinction of the two kinetic regimes. The effect of surface energetic-topographic non-uniformity, as well dynamic surface transformation, interface roughening/smoothing were described in a statistical fashion. Furthermore, our simulations show that a shift in the point-of-zero charge is expected from increased titration speed and the pH-dependence of the titration measurement error is in excellent agreement with experimental studies.« less

Tribological behavior of micro/nano-patterned surfaces in contact with AFM colloidal probe

NASA Astrophysics Data System (ADS)

Zhang, Xiaoliang; Wang, Xiu; Kong, Wen; Yi, Gewen; Jia, Junhong

2011-10-01

In effort to investigate the influence of the micro/nano-patterning or surface texturing on the nanotribological properties of patterned surfaces, the patterned polydimethylsiloxane (PDMS) surfaces with pillars were fabricated by replica molding technique. The surface morphologies of patterned PDMS surfaces with varying pillar sizes and spacing between pillars were characterized by atomic force microscope (AFM) and scanning electron microscope (SEM). The AFM/FFM was used to acquire the friction force images of micro/nano-patterned surfaces using a colloidal probe. A difference in friction force produced a contrast on the friction force images when the colloidal probe slid over different regions of the patterned polymer surfaces. The average friction force of patterned surface was related to the spacing between the pillars and their size. It decreased with the decreasing of spacing between the pillars and the increasing of pillar size. A reduction in friction force was attributed to the reduced area of contact between patterned surface and colloidal probe. Additionally, the average friction force increased with increasing applied load and sliding velocity.

Spectroscopic and computational studies of matrix-isolated iso-CHBr{sub 3}: Structure, properties, and photochemistry of iso-bromoform

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

George, Lisa; Kalume, Aimable; Wagner, James

Iso-polyhalomethanes are known reactive intermediates that play a pivotal role in the photochemistry of halomethanes in condensed phases. In this work, iso-bromoform (iso-CHBr{sub 3}) and its deuterated isotopomer were characterized by matrix isolation infrared and UV/visible spectroscopy, supported by ab initio and density functional theory calculations, to further probe the structure, spectroscopy, and photochemistry of this important intermediate. Selected wavelength laser irradiation of CHBr{sub 3} isolated in Ar or Ne matrices at {approx}5 K yielded iso-CHBr{sub 3}; the observed infrared and UV/visible absorptions are in excellent agreement with computational predictions, and the energies of various stationary points on the CHBr{submore » 3} potential energy surface were characterized computationally using high-level methods in combination with correlation consistent basis sets. These calculations show that, while the corresponding minima lie {approx}200 kJ/mol above the global CHBr{sub 3} minimum, the isomer is bound by some 60 kJ/mol in the gas phase with respect to the CHBr{sub 2}+ Br asymptote. The photochemistry of iso-CHBr{sub 3} was investigated by selected wavelength laser irradiation into the intense S{sub 0}{yields} S{sub 3} transition, which resulted in back photoisomerization to CHBr{sub 3}. Intrinsic reaction coordinate calculations confirmed the existence of a first-order saddle point connecting the two isomers, which lies energetically below the threshold of the radical channel. Subsequently, natural bond orbital analysis and natural resonance theory were used to characterize the important resonance structures of the isomer and related stationary points, which demonstrate that the isomerization transition state represents a crossover from dominantly covalent to dominantly ionic bonding. In condensed phases, the ion-pair dominated isomerization transition state structure is preferentially stabilized, so that the barrier to isomerization is lowered.« less

The decoupling of the glass transitions in the two-component p-spin spherical model

NASA Astrophysics Data System (ADS)

Ikeda, Harukuni; Ikeda, Atsushi

2016-07-01

Binary mixtures of large and small particles with a disparate size ratio exhibit a rich phenomenology at their glass transition points. In order to gain insights on such systems, we introduce and study a two-component version of the p-spin spherical spin glass model. We employ the replica method to calculate the free energy and the phase diagram. We show that when the strengths of the interactions of each component are not widely separated, the model has only one glass phase characterized by the conventional one-step replica symmetry breaking. However when the strengths of the interactions are well separated, the model has three glass phases depending on the temperature and component ratio. One is the ‘single’ glass phase in which only the spins of one component are frozen while the spins of the other component remain mobile. This phase is characterized by the one-step replica symmetry breaking. The second is the ‘double’ glass phase obtained by cooling the single glass phase further, in which the spins of the remaining mobile component are also frozen. This phase is characterized by the two-step replica symmetry breaking. The third is also the ‘double’ glass phase, which, however, is formed by the simultaneous freezing of the spins of both components at the same temperatures and is characterized by the one-step replica symmetry breaking. We discuss the implications of these results for the glass transitions of binary mixtures.

Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods.

PubMed

Roe, Daniel R; Bergonzo, Christina; Cheatham, Thomas E

2014-04-03

Many problems studied via molecular dynamics require accurate estimates of various thermodynamic properties, such as the free energies of different states of a system, which in turn requires well-converged sampling of the ensemble of possible structures. Enhanced sampling techniques are often applied to provide faster convergence than is possible with traditional molecular dynamics simulations. Hamiltonian replica exchange molecular dynamics (H-REMD) is a particularly attractive method, as it allows the incorporation of a variety of enhanced sampling techniques through modifications to the various Hamiltonians. In this work, we study the enhanced sampling of the RNA tetranucleotide r(GACC) provided by H-REMD combined with accelerated molecular dynamics (aMD), where a boosting potential is applied to torsions, and compare this to the enhanced sampling provided by H-REMD in which torsion potential barrier heights are scaled down to lower force constants. We show that H-REMD and multidimensional REMD (M-REMD) combined with aMD does indeed enhance sampling for r(GACC), and that the addition of the temperature dimension in the M-REMD simulations is necessary to efficiently sample rare conformations. Interestingly, we find that the rate of convergence can be improved in a single H-REMD dimension by simply increasing the number of replicas from 8 to 24 without increasing the maximum level of bias. The results also indicate that factors beyond replica spacing, such as round trip times and time spent at each replica, must be considered in order to achieve optimal sampling efficiency.

Thermodynamic limitations on the resolution obtainable with metal replicas.

PubMed

Woodward, J T; Zasadzinski, J A

1996-12-01

The major factor limiting resolution of metal-shadowed surfaces for electron and scanning tunnelling microscopy is the granularity of the metal film. This granularity had been believed to result from a recrystallization of the evaporated film, and hence could be limited by use of higher melting point materials for replication, or inhibited by adding carbon or other impurities to the film. However, evaporated and sputtered films of amorphous metal alloys that do not crystallize also show a granularity that decreases with increasing alloy melting point. A simple thermodynamic analysis shows that the granularity results from a dewetting of the typically low surface energy sample by the high surface energy metal film, similar to the beading up of drops of spilled mercury. The metal granularity and the resulting resolution of the metal-coated surface is proportional to the mobility of the metal on the surface after evaporation, which is related to the difference in temperature between the melting point of the metal and the sample surface temperature.

Evaluation of local trace element status and 8-Iso-prostaglandin F2α concentrations in patients with Tinea pedis.

PubMed

Miraloglu, Meral; Kurutas, Ergul Belge; Ozturk, Perihan; Arican, Ozer

2016-01-01

Tinea pedis (TP) is an infection of the feet caused by fungi. The infectious diseases caused by dermatophytes are mainly related to the enzymes produced by these fungi. Up to the now, the local 8-iso-prostaglandin F2α (8-iso-PGF2α), concentration as oxidative stress biomarker and trace elements status have not been published in patients with TP. The aim of this study is to evaluate the relationship between oxidative stress and trace elements (Cu, Zn, Se), and to evaluate the ratios of Cu/Zn and Cu/Se in this disorder. Forty-three consecutive patients with a diagnosis of unilateral interdigital TP were enrolled in this study. The samples were obtained by scraping the skin surface. 8-iso-PGF2α concentrations in scraping samples were determined by ELISA. In addition, the levels of Se, Zn and Cu in scraping samples were determined on flame and furnace atomic absorption spectrophotometer using Zeeman background correction. Oxidative stress was confirmed by the significant elevation in 8-iso-PGF2α concentrations (p < 0.05). When compared to non-lesional area, Zn and Se levels were significantly lower on lesional area, whereas Cu levels was higher on the lesional area than the non-lesional area (p < 0.05). In addition, the correlation results of this study were firstly shown that there were significant and positive correlations between Cu and 8-iso-PGF2α parameters, but negative correlations between Se-Cu; Se-8-iso-PGF2α parameters in lesional area. Furthermore, the ratios of Cu/Zn and Cu/Se were significantly higher on the lesional area than the non-lesional area (p < 0.05). According to sex and fungal subtypes, there was no significant difference in the concentrations of 8-iso-PGF2α and trace elements in patients with TP (p > 0.05). Our results showed that there is a possible link between oxidative stress (increased 8-iso-PGF2α concentrations) and imbalanced of trace elements status in lesional area of TP patients. The use of antifungal agents together with both Zn and Se drugs could be helpful in the both regression of disease and in shortening the duration of disease.

The influence of different nanostructured scaffolds on fibroblast growth

PubMed Central

Chung, I-Cheng; Li, Ching-Wen; Wang, Gou-Jen

2013-01-01

Skin serves as a protective barrier, modulating body temperature and waste discharge. It is therefore desirable to be able to repair any damage that occurs to the skin as soon as possible. In this study, we demonstrate a relatively easy and cost-effective method for the fabrication of nanostructured scaffolds, to shorten the time taken for a wound to heal. Various scaffolds consisting of nanohemisphere arrays of poly(lactic-co-glycolic acid) (PLGA), polylactide and chitosan were fabricated by casting using a nickel (Ni) replica mold. The Ni replica mold is electroformed using the highly ordered nanohemisphere array of the barrier-layer surface of an anodic aluminum oxide membrane as the template. Mouse fibroblast cells (L929s) were cultured on the nanostructured polymer scaffolds to investigate the effect of these different nanohemisphere arrays on cell proliferation. The concentration of collagen type I on each scaffold was then measured through enzyme-linked immunosorbent assay to find the most effective scaffold for shortening the wound-healing process. The experimental data indicate that the proliferation of L929 is superior when a nanostructured PLGA scaffold with a feature size of 118 nm is utilized. PMID:27877586

Equilibrium Molecular Thermodynamics from Kirkwood Sampling

PubMed Central

2015-01-01

We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys.2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide. PMID:25915525

Replica exchange Monte-Carlo simulations of helix bundle membrane proteins: rotational parameters of helices

NASA Astrophysics Data System (ADS)

Wu, H.-H.; Chen, C.-C.; Chen, C.-M.

2012-03-01

We propose a united-residue model of membrane proteins to investigate the structures of helix bundle membrane proteins (HBMPs) using coarse-grained (CG) replica exchange Monte-Carlo (REMC) simulations. To demonstrate the method, it is used to identify the ground state of HBMPs in a CG model, including bacteriorhodopsin (BR), halorhodopsin (HR), and their subdomains. The rotational parameters of transmembrane helices (TMHs) are extracted directly from the simulations, which can be compared with their experimental measurements from site-directed dichroism. In particular, the effects of amphiphilic interaction among the surfaces of TMHs on the rotational angles of helices are discussed. The proposed CG model gives a reasonably good structure prediction of HBMPs, as well as a clear physical picture for the packing, tilting, orientation, and rotation of TMHs. The root mean square deviation (RMSD) in coordinates of Cα atoms of the ground state CG structure from the X-ray structure is 5.03 Å for BR and 6.70 Å for HR. The final structure of HBMPs is obtained from the all-atom molecular dynamics simulations by refining the predicted CG structure, whose RMSD is 4.38 Å for BR and 5.70 Å for HR.

Constraining the Type of Central Engine of GRBs with Swift Data

NASA Astrophysics Data System (ADS)

Li, Liang; Wu, Xue-Feng; Lei, Wei-Hua; Dai, Zi-Gao; Lian, En-Wei; Ryde, Felix

2018-06-01

The central engine of gamma-ray bursts (GRBs) is poorly constrained. There exist two main candidates: a fast-rotating black hole and a rapidly spinning magnetar. Furthermore, X-ray plateaus are widely accepted to be the energy injection into the external shock. In this paper, we systematically analyze the Swift/XRT light curves of 101 GRBs having plateau phases and known redshifts (before 2017 May). Since a maximum energy budget (∼2 × 1052 erg) exists for magnetars but not for black holes, this provides a good clue to identifying the type of GRB central engine. We calculate the isotropic kinetic energy E K,iso and the isotropic X-ray energy release E X,iso for individual GRBs. We identify three categories based on how likely a black hole harbors a central engine: “Gold” (9 out of 101; both E X,iso and E K,iso exceed the energy budget), “Silver” (69 out of 101; E X,iso less than the limit but E K,iso greater than the limit), and “Bronze” (23 out of 101; the energies are not above the limit). We then derive and test the black hole parameters with the Blandford–Znajek mechanism, and find that the observations of the black hole candidate (“Gold” + “Silver”) samples are consistent with the expectations of the black hole model. Furthermore, we also test the magnetar candidate (“Bronze”) sample with the magnetar model, and find that the magnetar surface magnetic field (B p ) and initial spin period (P 0) fall into reasonable ranges. Our analysis indicates that if the magnetar wind is isotropic, a magnetar central engine is possible for 20% of the analyzed GRBs. For most GRBs, a black hole is most likely operating.

Discovery and characterization of Isofistularin-3, a marine brominated alkaloid, as a new DNA demethylating agent inducing cell cycle arrest and sensitization to TRAIL in cancer cells

PubMed Central

Florean, Cristina; Schnekenburger, Michael; Lee, Jin-Young; Kim, Kyung Rok; Mazumder, Aloran; Song, Sungmi; Kim, Jae-Myun; Grandjenette, Cindy; Kim, Jeoung-Gyun; Yoon, Ah-Young; Dicato, Mario; Kim, Kyu-Won; Christov, Christo; Han, Byung-Woo; Proksch, Peter; Diederich, Marc

2016-01-01

We characterized the brominated alkaloid Isofistularin-3 (Iso-3), from the marine sponge Aplysina aerophoba, as a new DNA methyltransferase (DNMT)1 inhibitor. Docking analysis confirmed our in vitro DNMT inhibition data and revealed binding of Iso-3 within the DNA binding site of DNMT1. Subsequent increased expression of tumor suppressor gene aryl hydrocarbon receptor (AHR) could be correlated to decreased methylation of CpG sites within the essential Sp1 regulatory region of its promoter. Iso-3 induced growth arrest of cancer cells in G0/G1 concomitant with increased p21 and p27 expression and reduced cyclin E1, PCNA and c-myc levels. Reduced proliferation was accompanied by morphological changes typical of autophagy revealed by fluorescent and transmission electron microscopy and validated by LC3I-II conversion. Furthermore, Iso-3 strongly synergized with tumor-necrosis-factor related apoptosis inducing ligand (TRAIL) in RAJI [combination index (CI) = 0.22] and U-937 cells (CI = 0.21) and increased TRAIL-induced apoptosis via a mechanism involving reduction of survivin expression but not of Bcl-2 family proteins nor X-linked inhibitor of apoptosis protein (XIAP). Iso-3 treatment decreased FLIPL expression and triggered activation of endoplasmatic reticulum (ER) stress with increased GRP78 expression, eventually inducing TRAIL receptor death receptor (DR)5 surface expression. Importantly, as a potential candidate for further anticancer drug development, Iso-3 reduced the viability, colony and in vivo tumor forming potential without affecting the viability of PBMCs from healthy donors or zebrafish development. PMID:27006469

Discovery and characterization of Isofistularin-3, a marine brominated alkaloid, as a new DNA demethylating agent inducing cell cycle arrest and sensitization to TRAIL in cancer cells.

PubMed

Florean, Cristina; Schnekenburger, Michael; Lee, Jin-Young; Kim, Kyung Rok; Mazumder, Aloran; Song, Sungmi; Kim, Jae-Myun; Grandjenette, Cindy; Kim, Jeoung-Gyun; Yoon, Ah-Young; Dicato, Mario; Kim, Kyu-Won; Christov, Christo; Han, Byung-Woo; Proksch, Peter; Diederich, Marc

2016-04-26

We characterized the brominated alkaloid Isofistularin-3 (Iso-3), from the marine sponge Aplysina aerophoba, as a new DNA methyltransferase (DNMT)1 inhibitor. Docking analysis confirmed our in vitro DNMT inhibition data and revealed binding of Iso-3 within the DNA binding site of DNMT1. Subsequent increased expression of tumor suppressor gene aryl hydrocarbon receptor (AHR) could be correlated to decreased methylation of CpG sites within the essential Sp1 regulatory region of its promoter. Iso-3 induced growth arrest of cancer cells in G0/G1 concomitant with increased p21 and p27 expression and reduced cyclin E1, PCNA and c-myc levels. Reduced proliferation was accompanied by morphological changes typical of autophagy revealed by fluorescent and transmission electron microscopy and validated by LC3I-II conversion. Furthermore, Iso-3 strongly synergized with tumor-necrosis-factor related apoptosis inducing ligand (TRAIL) in RAJI [combination index (CI) = 0.22] and U-937 cells (CI = 0.21) and increased TRAIL-induced apoptosis via a mechanism involving reduction of survivin expression but not of Bcl-2 family proteins nor X-linked inhibitor of apoptosis protein (XIAP). Iso-3 treatment decreased FLIPL expression and triggered activation of endoplasmatic reticulum (ER) stress with increased GRP78 expression, eventually inducing TRAIL receptor death receptor (DR)5 surface expression. Importantly, as a potential candidate for further anticancer drug development, Iso-3 reduced the viability, colony and in vivo tumor forming potential without affecting the viability of PBMCs from healthy donors or zebrafish development.

Physical mapping of complex genomes

DOEpatents

Evans, Glen A.

1993-01-01

Method for simultaneous identification of overlapping cosmid clones among multiple cosmid clones and the use of the method for mapping complex genomes are provided. A library of cosmid clones that contains the DNA to be mapped is constructed and arranged in a manner such that individual clones can be identified and replicas of the arranged clones prepared. In preferred embodiments, the clones are arranged in a two dimensional matrix. In such embodiments, the cosmid clones in a row are pooled, mixed probes complementary to the ends of the DNA inserts int he pooled clones are synthesized, hybridized to a first replica of the library. Hybridizing clones, which include the pooled row, are identified. A second portion of clones is prepared by pooling cosmid clones that correspond to a column in the matrix. The second pool thereby includes one clone from the first portion pooled clones. This common clone is located on the replica at the intersection of the column and row. Mixed probes complementary to the ends of the DNA inserts in the second pooled portion of clones are prepared and hybridized to a second replica of the library. The hybridization pattern on the first and second replicas of the library are compared and cross-hybridizing clones, other than the clones in the pooled column and row, that hybridize to identical clones in the first and second replicas are identified. These clones necessarily include DNA inserts that overlap with the DNA insert int he common clone located at the intersection of the pooled row and pooled column. The DNA in the entire library may be mapped by pooling the clones in each of the rows and columns of the matrix, preparing mixed end-specific probes and hybridizing the probes from each row or column to a replica of the library. Since all clones in the library are located at the intersection of a column and a row, the overlapping clones for all clones in the library may be identified and a physical map constructed. In other preferred embodiments, the cosmid clones are arranged in a three dimensional matrix, pooled and compared in threes according to intersecting planes of the three dimensional matrix. Arrangements corresponding to geometries of higher dimensions may also be prepared and used to simultaneously identify overlapping clones in highly complex libraries with relatively few hybridization reactions.

Saturn V Dedication

NASA Technical Reports Server (NTRS)

1999-01-01

A replica of the Saturn V rocket that propelled man from the confines of Earth's gravity to the surface of the Moon was built on the grounds of the U. S. Space and Rocket Center in Huntsville, AL. in time for the 30th arniversary celebration of that historic occasion. Marshall Space Flight Center and its team of German rocket scientists headed by Dr. Wernher von Braun were responsible for the design and development of the Saturn V rocket. Pictured are MSFC's current Center Director Art Stephenson, Alabama Congressman Bud Cramer, and NASA Administrator Dan Goldin during the dedication ceremony.

Around Marshall

NASA Image and Video Library

1999-07-17

A replica of the Saturn V rocket that propelled man from the confines of Earth's gravity to the surface of the Moon was built on the grounds of the U. S. Space and Rocket Center in Huntsville, AL. in time for the 30th arniversary celebration of that historic occasion. Marshall Space Flight Center and its team of German rocket scientists headed by Dr. Wernher von Braun were responsible for the design and development of the Saturn V rocket. Pictured are MSFC's current Center Director Art Stephenson, Alabama Congressman Bud Cramer, and NASA Administrator Dan Goldin during the dedication ceremony.

Variability in Room Temperature Fatigue Life of Alpha+Beta Processed Ti-6Al-4V (Preprint)

DTIC Science & Technology

2008-10-01

approaches proposed by Magnusen et al. [ 4 ], Chan et al. [5], Tryon et al. [ 6 ], Laz et al. [7], and Jha et al. [8-9]. Based on extensive...stresses at several depths into the surface of the gauge section of the specimens. Layer removal was accomplished by electropolishing a   2c a 6 ...replicas taken including 6 at 675 MPa and 1 at 635 MPa. The number of crack measurements per test ranged from 1 to 9, but 4 was the most common. The

Three-Dimensional Interpretation of Sculptural Heritage with Digital and Tangible 3D Printed Replicas

ERIC Educational Resources Information Center

Saorin, José Luis; Carbonell-Carrera, Carlos; Cantero, Jorge de la Torre; Meier, Cecile; Aleman, Drago Diaz

2017-01-01

Spatial interpretation features as a skill to acquire in the educational curricula. The visualization and interpretation of three-dimensional objects in tactile devices and the possibility of digital manufacturing with 3D printers, offers an opportunity to include replicas of sculptures in teaching and, thus, facilitate the 3D interpretation of…

Sparks and Shocks: Replicas of Historical Instruments in Museum Education

ERIC Educational Resources Information Center

Rhees, David J.

2015-01-01

This paper discusses the variety of ways in which The Bakken Museum has made use of replicas or simulations of historical instruments and experiments and demonstrations in education programs and exhibits for school children, families with children, and other museum audiences. Early efforts were stimulated in the mid-1980s by a collaboration with…

A Recovery-Oriented Approach to Dependable Services: Repairing Past Errors with System-Wide Undo

DTIC Science & Technology

2003-12-01

54 4.5.3 Handling propagating paradoxes: the squash interface . . . . . . . . . . . . . . . . . . . 54 4.6 Discussion...84 6.3.3 Compensating for paradoxes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84 6.3.4 Squashing propagating...the service and comparing the behavior of the replicas to detect and squash misbehaving replicas. While on paper Byzantine fault tolerance may seem to

Pressure induced increase of the exciton phonon interaction in ZnO/(ZnMg)O quantum wells

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

Jarosz, D.; Suchocki, A.; Kozanecki, A.

2016-03-15

It is a well-established experimental fact that exciton-phonon coupling is very efficient in ZnO. The intensities of the phonon-replicas in ZnO/(ZnMg)O quantum structures strongly depend on the internal electric field. We performed high-pressure measurements on the single ZnO/(ZnMg)O quantum well. We observed a strong increase of the intensity of the phonon-replicas relative to the zero phonon line. In our opinion this effect is related to pressure induced increase of the strain in quantum structure. As a consequence, an increase of the piezoelectric component of the electric field is observed which leads to an increase of the intensity of the phonon-replicas.

Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.

PubMed

Gil-Ley, Alejandro; Bussi, Giovanni

2015-03-10

The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strengths of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide.

Sampling of Protein Folding Transitions: Multicanonical Versus Replica Exchange Molecular Dynamics.

PubMed

Jiang, Ping; Yaşar, Fatih; Hansmann, Ulrich H E

2013-08-13

We compare the efficiency of multicanonical and replica exchange molecular dynamics for the sampling of folding/unfolding events in simulations of proteins with end-to-end β -sheet. In Go-model simulations of the 75-residue MNK6, we observe improvement factors of 30 in the number of folding/unfolding events of multicanonical molecular dynamics over replica exchange molecular dynamics. As an application, we use this enhanced sampling to study the folding landscape of the 36-residue DS119 with an all-atom physical force field and implicit solvent. Here, we find that the rate-limiting step is the formation of the central helix that then provides a scaffold for the parallel β -sheet formed by the two chain ends.

Replica Exchange Molecular Dynamics in the Age of Heterogeneous Architectures

NASA Astrophysics Data System (ADS)

Roitberg, Adrian

2014-03-01

The rise of GPU-based codes has allowed MD to reach timescales only dreamed of only 5 years ago. Even within this new paradigm there is still need for advanced sampling techniques. Modern supercomputers (e.g. Blue Waters, Titan, Keeneland) have made available to users a significant number of GPUS and CPUS, which in turn translate into amazing opportunities for dream calculations. Replica-exchange based methods can optimally use tis combination of codes and architectures to explore conformational variabilities in large systems. I will show our recent work in porting the program Amber to GPUS, and the support for replica exchange methods, where the replicated dimension could be Temperature, pH, Hamiltonian, Umbrella windows and combinations of those schemes.

Broad spectrum antimicrobial activity of melimine covalently bound to contact lenses.

PubMed

Dutta, Debarun; Cole, Nerida; Kumar, Naresh; Willcox, Mark D P

2013-01-07

To develop a stable antimicrobial contact lens, which is effective against the International Organization for Standardization (ISO) panel microorganisms, Acanthamoeba castellanii and drug resistant strains of Pseudomonas aeruginosa and Staphylococcus aureus. Melimine was covalently incorporated into etafilcon A lenses. The amount of peptide present on the lens surface was quantified using amino acid analysis. After coating, the heat stability (121°C), lens surface hydrophobicity (by captive bubble), and in vitro cytotoxicity to mouse L929 cells of the lenses were investigated. Antimicrobial activity against the micro-organisms was evaluated by viable plate count and fluorescence microscopy, measuring the proportion of cell death compared with control lenses with no melimine. The most effective concentration was determined to be 152 ± 44 μg lens(-1) melimine on the lens surface. After coating, lenses were relatively hydrophilic and were nontoxic to mammalian cells. The activity remained high after autoclaving (e.g., 3.1, 3.9, 1.2, and 1.0 log inhibition against P. aeruginosa, S. aureus, A. castellanii, and Fusarium solani, respectively). Fluorescence microscopy confirmed significantly reduced (P < 0.001) adhesion of viable bacteria to melimine contact lenses. Viable count confirmed that lenses were active against all the bacteria and fungi from the ISO panel, Acanthamoeba and gave at least 2 log inhibition against all the multidrug resistant S. aureus and P. aeruginosa strains. Melimine may offer excellent potential for development as a broad spectrum antimicrobial coating for contact lenses, showing activity against all the bacterial and fungal ISO panel microorganisms, Acanthamoeba, and antibiotic resistant strains of P. aeruginosa and S. aureus.

Research on the Changes to the Lipid/Polymer Membrane Used in the Acidic Bitterness Sensor Caused by Preconditioning

PubMed Central

Harada, Yuhei; Noda, Junpei; Yatabe, Rui; Ikezaki, Hidekazu; Toko, Kiyoshi

2016-01-01

A taste sensor that uses lipid/polymer membranes can evaluate aftertastes felt by humans using Change in membrane Potential caused by Adsorption (CPA) measurements. The sensor membrane for evaluating bitterness, which is caused by acidic bitter substances such as iso-alpha acid contained in beer, needs an immersion process in monosodium glutamate (MSG) solution, called “MSG preconditioning”. However, what happens to the lipid/polymer membrane during MSG preconditioning is not clear. Therefore, we carried out three experiments to investigate the changes in the lipid/polymer membrane caused by the MSG preconditioning, i.e., measurements of the taste sensor, measurements of the amount of the bitterness substance adsorbed onto the membrane and measurements of the contact angle of the membrane surface. The CPA values increased as the preconditioning process progressed, and became stable after 3 d of preconditioning. The response potentials to the reference solution showed the same tendency of the CPA value change during the preconditioning period. The contact angle of the lipid/polymer membrane surface decreased after 7 d of MSG preconditioning; in short, the surface of the lipid/polymer membrane became hydrophilic during MSG preconditioning. The amount of adsorbed iso-alpha acid was increased until 5 d preconditioning, and then it decreased. In this study, we revealed that the CPA values increased with the progress of MSG preconditioning in spite of the decrease of the amount of iso-alpha acid adsorbed onto the lipid/polymer membrane, and it was indicated that the CPA values increase because the sensor sensitivity was improved by the MSG preconditioning. PMID:26891299

Microscopic investigation of cavitation erosion damage in metals

NASA Technical Reports Server (NTRS)

Hackworh, J. V.; Adler, W. F.

1974-01-01

The results of research to identify the cavitation erosion damage mechanisms at the microscopic level for three metals (aluminum, stainless steel, and titanium) representing a range of properties and microstructure are presented. The metals were exposed to cavitation generated in distilled water by a 20-kHz ultrasonic facility operating at a vibration amplitude of 2 mils. Representative properties of the metals and experimental details are summarized. Replicas of the eroded surfaces of the specimens obtained periodically during exposure were examined with a transmission electron microscope to follow progression of the erosion damage and identify dominant erosion mechanisms as a function of exposure time. Eroded surfaces of selected specimens were also examined with a scanning electron microscope to assist in the interpretation.

The effects of tether placement on antibody stability on surfaces

NASA Astrophysics Data System (ADS)

Grawe, Rebecca W.; Knotts, Thomas A.

2017-06-01

Despite their potential benefits, antibody microarrays have fallen short of performing reliably and have not found widespread use outside of the research setting. Experimental techniques have been unable to determine what is occurring on the surface of an atomic level, so molecular simulation has emerged as the primary method of investigating protein/surface interactions. Simulations of small proteins have indicated that the stability of the protein is a function of the residue on the protein where a tether is placed. The purpose of this research is to see whether these findings also apply to antibodies, with their greater size and complexity. To determine this, 24 tethering locations were selected on the antibody Protein Data Bank (PDB) ID: 1IGT. Replica exchange simulations were run on two different surfaces, one hydrophobic and one hydrophilic, to determine the degree to which these tethering sites stabilize or destabilize the antibody. Results showed that antibodies tethered to hydrophobic surfaces were in general less stable than antibodies tethered to hydrophilic surfaces. Moreover, the stability of the antibody was a function of the tether location on hydrophobic surfaces but not hydrophilic surfaces.

Fabrication of robust hydrogel coatings on polydimethylsiloxane substrates using micropillar anchor structures with chemical surface modification.

PubMed

Zhang, Hongbin; Bian, Chao; Jackson, John K; Khademolhosseini, Farzad; Burt, Helen M; Chiao, Mu

2014-06-25

A durable hydrophilic and protein-resistant surface of polydimethylsiloxane (PDMS) based devices is desirable in many biomedical applications such as implantable and microfluidic devices. This paper describes a stable antifouling hydrogel coating on PDMS surfaces. The coating method combines chemical modification and surface microstructure fabrication of PDMS substrates. Three-(trimethoxysilyl)propyl methacrylates containing C═C groups were used to modify PDMS surfaces with micropillar array structures fabricated by a replica molding method. The micropillar structures increase the surface area of PDMS surfaces, which facilitates secure bonding with a hydrogel coating compared to flat PMDS surfaces. The adhesion properties of the hydrogel coating on PDMS substrates were characterized using bending, stretching and water immersion tests. Long-term hydrophilic stability (maintaining a contact angle of 55° for a month) and a low protein adsorption property (35 ng/cm(2) of adsorbed BSA-FITC) of the hydrogel coated PDMS were demonstrated. This coating method is suitable for PDMS modification with most crosslinkable polymers containing C═C groups, which can be useful for improving the anti-biofouling performance of PDMS-based biomedical microdevices.

Evaluation of Enhanced Sampling Provided by Accelerated Molecular Dynamics with Hamiltonian Replica Exchange Methods

PubMed Central

2015-01-01

Many problems studied via molecular dynamics require accurate estimates of various thermodynamic properties, such as the free energies of different states of a system, which in turn requires well-converged sampling of the ensemble of possible structures. Enhanced sampling techniques are often applied to provide faster convergence than is possible with traditional molecular dynamics simulations. Hamiltonian replica exchange molecular dynamics (H-REMD) is a particularly attractive method, as it allows the incorporation of a variety of enhanced sampling techniques through modifications to the various Hamiltonians. In this work, we study the enhanced sampling of the RNA tetranucleotide r(GACC) provided by H-REMD combined with accelerated molecular dynamics (aMD), where a boosting potential is applied to torsions, and compare this to the enhanced sampling provided by H-REMD in which torsion potential barrier heights are scaled down to lower force constants. We show that H-REMD and multidimensional REMD (M-REMD) combined with aMD does indeed enhance sampling for r(GACC), and that the addition of the temperature dimension in the M-REMD simulations is necessary to efficiently sample rare conformations. Interestingly, we find that the rate of convergence can be improved in a single H-REMD dimension by simply increasing the number of replicas from 8 to 24 without increasing the maximum level of bias. The results also indicate that factors beyond replica spacing, such as round trip times and time spent at each replica, must be considered in order to achieve optimal sampling efficiency. PMID:24625009

Multi-Scale Porous Ultra High Temperature Ceramics

DTIC Science & Technology

2015-01-08

different techniques: replica, particle stabilized foams, ice templating (freeze casting) and partial sintering. The pore morphology (closed-bubble...the porosity, pore size, shape and morphology . X-Ray Tomography was used to study their 3D microstructure. The 3D microstructures captured with...four different techniques: replica, particle stabilized foams, ice templating (freeze casting) and partial sintering. The pore morphology (closed-bubble

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta Proteins.

PubMed

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A

2009-03-10

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins

PubMed Central

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A.

2009-01-01

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster. PMID:20161452

A new Strategy to Improve Drug Delivery to the Maxillary Sinuses: The Frequency Sweep Acoustic Airflow.

PubMed

El Merhie, Amira; Navarro, Laurent; Delavenne, Xavier; Leclerc, Lara; Pourchez, Jérémie

2016-05-01

Enhancement of intranasal sinus deposition involves nebulization of a drug superimposed by an acoustic airflow. We investigated the impact of fixed frequency versus frequency sweep acoustic airflow on the improvement of aerosolized drug penetration into maxillary sinuses. Fixed frequency and frequency sweep acoustic airflow were generated using a nebulizing system of variable frequency. The effect of sweep cycle and intensity variation was studied on the intranasal sinus deposition. We used a nasal replica created from CT scans using 3D printing. Sodium fluoride and gentamicin were chosen as markers. Studies performed using fixed frequency acoustic airflow showed that each of maxillary sinuses of the nasal replica required specific frequency for the optimal aerosol deposition. Intranasal sinus drug deposition experiments under the effect of the frequency sweep acoustic airflow showed an optimal aerosol deposition into both maxillary sinus of the nasal replica. Studies on the effect of the duration of the sweep cycle showed that the shorter the cycle the better the deposition. We demonstrate the benefit of frequency sweep acoustic airflow on drug deposition into maxillary sinuses. However further in vivo studies have to be conducted since delivery rates cannot be obviously determined from a nasal replica.

Additive Manufacturing: A Comparative Analysis of Dimensional Accuracy and Skin Texture Reproduction of Auricular Prostheses Replicas.

PubMed

Unkovskiy, Alexey; Spintzyk, Sebastian; Axmann, Detlef; Engel, Eva-Maria; Weber, Heiner; Huettig, Fabian

2017-11-10

The use of computer-aided design/computer-aided manufacturing (CAD/CAM) and additive manufacturing in maxillofacial prosthetics has been widely acknowledged. Rapid prototyping can be considered for manufacturing of auricular prostheses. Therefore, so-called prostheses replicas can be fabricated by digital means. The objective of this study was to identify a superior additive manufacturing method to fabricate auricular prosthesis replicas (APRs) within a digital workflow. Auricles of 23 healthy subjects (mean age of 37.8 years) were measured in vivo with respect to an anthropometrical protocol. Landmarks were volumized with fiducial balls for 3D scanning using a handheld structured light scanner. The 3D CAD dataset was postprocessed, and the same anthropometrical measurements were made in the CAD software with the digital lineal. Each CAD dataset was materialized using fused deposition modeling (FDM), selective laser sintering (SLS), and stereolithography (SL), constituting 53 APR samples. All distances between the landmarks were measured on the APRs. After the determination of the measurement error within the five data groups (in vivo, CAD, FDM, SLS, and SL), the mean values were compared using matched pairs method. To this, the in vivo and CAD dataset were set as references. Finally, the surface structure of the APRs was qualitatively evaluated with stereomicroscopy and profilometry to ascertain the level of skin detail reproduction. The anthropometrical approach showed drawbacks in measuring the protrusion of the ear's helix. The measurement error within all groups of measurements was calculated between 0.20 and 0.28 mm, implying a high reproducibility. The lowest mean differences of 53 produced APRs were found in FDM (0.43%) followed by SLS (0.54%) and SL (0.59%)--compared to in vivo, and again in FDM (0.20%) followed by SL (0.36%) and SLS (0.39%)--compared to CAD. None of these values exceed the threshold of clinical relevance (1.5%); however, the qualitative evaluation revealed slight shortcomings in skin reproduction for all methods: reproduction of skin details exceeding 0.192 mm in depth was feasible. FDM showed the superior dimensional accuracy and best skin surface reproduction. Moreover, digital acquisition and CAD postprocessing seem to play a more important role in the outcome than the additive manufacturing method used. © 2017 by the American College of Prosthodontists.

Fabrication, Densification, and Replica Molding of 3D Carbon Nanotube Microstructures

PubMed Central

Copic, Davor; Park, Sei Jin; Tawfick, Sameh; De Volder, Michael; Hart, A. John

2012-01-01

The introduction of new materials and processes to microfabrication has, in large part, enabled many important advances in microsystems, lab-on-a-chip devices, and their applications. In particular, capabilities for cost-effective fabrication of polymer microstructures were transformed by the advent of soft lithography and other micromolding techniques 1, 2, and this led a revolution in applications of microfabrication to biomedical engineering and biology. Nevertheless, it remains challenging to fabricate microstructures with well-defined nanoscale surface textures, and to fabricate arbitrary 3D shapes at the micro-scale. Robustness of master molds and maintenance of shape integrity is especially important to achieve high fidelity replication of complex structures and preserving their nanoscale surface texture. The combination of hierarchical textures, and heterogeneous shapes, is a profound challenge to existing microfabrication methods that largely rely upon top-down etching using fixed mask templates. On the other hand, the bottom-up synthesis of nanostructures such as nanotubes and nanowires can offer new capabilities to microfabrication, in particular by taking advantage of the collective self-organization of nanostructures, and local control of their growth behavior with respect to microfabricated patterns. Our goal is to introduce vertically aligned carbon nanotubes (CNTs), which we refer to as CNT "forests", as a new microfabrication material. We present details of a suite of related methods recently developed by our group: fabrication of CNT forest microstructures by thermal CVD from lithographically patterned catalyst thin films; self-directed elastocapillary densification of CNT microstructures; and replica molding of polymer microstructures using CNT composite master molds. In particular, our work shows that self-directed capillary densification ("capillary forming"), which is performed by condensation of a solvent onto the substrate with CNT microstructures, significantly increases the packing density of CNTs. This process enables directed transformation of vertical CNT microstructures into straight, inclined, and twisted shapes, which have robust mechanical properties exceeding those of typical microfabrication polymers. This in turn enables formation of nanocomposite CNT master molds by capillary-driven infiltration of polymers. The replica structures exhibit the anisotropic nanoscale texture of the aligned CNTs, and can have walls with sub-micron thickness and aspect ratios exceeding 50:1. Integration of CNT microstructures in fabrication offers further opportunity to exploit the electrical and thermal properties of CNTs, and diverse capabilities for chemical and biochemical functionalization 3. PMID:22806089

Fabrication, densification, and replica molding of 3D carbon nanotube microstructures.

PubMed

Copic, Davor; Park, Sei Jin; Tawfick, Sameh; De Volder, Michael; Hart, A John

2012-07-02

The introduction of new materials and processes to microfabrication has, in large part, enabled many important advances in microsystems, lab-on-a-chip devices, and their applications. In particular, capabilities for cost-effective fabrication of polymer microstructures were transformed by the advent of soft lithography and other micromolding techniques (1, 2), and this led a revolution in applications of microfabrication to biomedical engineering and biology. Nevertheless, it remains challenging to fabricate microstructures with well-defined nanoscale surface textures, and to fabricate arbitrary 3D shapes at the micro-scale. Robustness of master molds and maintenance of shape integrity is especially important to achieve high fidelity replication of complex structures and preserving their nanoscale surface texture. The combination of hierarchical textures, and heterogeneous shapes, is a profound challenge to existing microfabrication methods that largely rely upon top-down etching using fixed mask templates. On the other hand, the bottom-up synthesis of nanostructures such as nanotubes and nanowires can offer new capabilities to microfabrication, in particular by taking advantage of the collective self-organization of nanostructures, and local control of their growth behavior with respect to microfabricated patterns. Our goal is to introduce vertically aligned carbon nanotubes (CNTs), which we refer to as CNT "forests", as a new microfabrication material. We present details of a suite of related methods recently developed by our group: fabrication of CNT forest microstructures by thermal CVD from lithographically patterned catalyst thin films; self-directed elastocapillary densification of CNT microstructures; and replica molding of polymer microstructures using CNT composite master molds. In particular, our work shows that self-directed capillary densification ("capillary forming"), which is performed by condensation of a solvent onto the substrate with CNT microstructures, significantly increases the packing density of CNTs. This process enables directed transformation of vertical CNT microstructures into straight, inclined, and twisted shapes, which have robust mechanical properties exceeding those of typical microfabrication polymers. This in turn enables formation of nanocomposite CNT master molds by capillary-driven infiltration of polymers. The replica structures exhibit the anisotropic nanoscale texture of the aligned CNTs, and can have walls with sub-micron thickness and aspect ratios exceeding 50:1. Integration of CNT microstructures in fabrication offers further opportunity to exploit the electrical and thermal properties of CNTs, and diverse capabilities for chemical and biochemical functionalization (3).

Takhli AB, Thailand. Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F

DTIC Science & Technology

1971-04-06

DIR SPEED N .4 ISO 4_1 NNE t02 j t 6 4 : ENE ,A’ 2 to ,_1 _, ESE ,6 .5 .4. 1,4 4,4SE 2, z 6 .8 .0o I- , 5 SSE 5,4 7,7- 2,S al .. . 16,1 4,6S: 6,s8...ENE 1,6 I’s IsO &1 4,2 4091 E 2,g 9.9 1_ _ _ ESE , 0 2 1 SE a .9 ,2 ao__ 4#3 SSE a a- ______ 2,0 4 3. 2’s .0 2,1 . 1 0 0 4,9 4,4 SSW 1 .4 .6 .11 .1...6, 9, WNW 2 A . 2 ISO 4 a$ NW .2 6 III ... . 6 NNW ]-* o all ., 2 6 3 4 9 7 V~in1, 24, 1. q 1 1 T O T A L N U M BE R O F O B S E R V A T

Neutron and gamma-ray dose-rates from the Little Boy replica

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

Plassmann, E.A.; Pederson, R.A.

1984-01-01

We report dose-rate information obtained at many locations in the near vicinity of, and at distances out to 0.64 km from, the Little Boy replica while it was operated as a critical assembly. The measurements were made with modified conventional dosimetry instruments that used an Anderson-Braun detector for neutrons and a Geiger-Mueller tube for gamma rays with suitable electronic modules to count particle-induced pulses. Thermoluminescent dosimetry methods provide corroborative data. Our analysis gives estimates of both neutron and gamma-ray relaxation lengths in air for comparison with earlier calculations. We also show the neutron-to-gamma-ray dose ratio as a function of distancemore » from the replica. Current experiments and further data analysis will refine these results. 7 references, 8 figures.« less

Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering

PubMed Central

2015-01-01

The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strengths of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide. PMID:25838811

An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations

NASA Astrophysics Data System (ADS)

Capelli, Riccardo; Tiana, Guido; Camilloni, Carlo

2018-05-01

Inferential methods can be used to integrate experimental informations and molecular simulations. The maximum entropy principle provides a framework for using equilibrium experimental data, and it has been shown that replica-averaged simulations, restrained using a static potential, are a practical and powerful implementation of such a principle. Here we show that replica-averaged simulations restrained using a time-dependent potential are equivalent to the principle of maximum caliber, the dynamic version of the principle of maximum entropy, and thus may allow us to integrate time-resolved data in molecular dynamics simulations. We provide an analytical proof of the equivalence as well as a computational validation making use of simple models and synthetic data. Some limitations and possible solutions are also discussed.

Proactive replica checking to assure reliability of data in cloud storage with minimum replication

NASA Astrophysics Data System (ADS)

Murarka, Damini; Maheswari, G. Uma

2017-11-01

The two major issues for cloud storage systems are data reliability and storage costs. For data reliability protection, multi-replica replication strategy which is used mostly in current clouds acquires huge storage consumption, leading to a large storage cost for applications within the loud specifically. This paper presents a cost-efficient data reliability mechanism named PRCR to cut back the cloud storage consumption. PRCR ensures data reliability of large cloud information with the replication that might conjointly function as a price effective benchmark for replication. The duplication shows that when resembled to the standard three-replica approach, PRCR will scale back to consume only a simple fraction of the cloud storage from one-third of the storage, thence considerably minimizing the cloud storage price.

An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations.

PubMed

Capelli, Riccardo; Tiana, Guido; Camilloni, Carlo

2018-05-14

Inferential methods can be used to integrate experimental informations and molecular simulations. The maximum entropy principle provides a framework for using equilibrium experimental data, and it has been shown that replica-averaged simulations, restrained using a static potential, are a practical and powerful implementation of such a principle. Here we show that replica-averaged simulations restrained using a time-dependent potential are equivalent to the principle of maximum caliber, the dynamic version of the principle of maximum entropy, and thus may allow us to integrate time-resolved data in molecular dynamics simulations. We provide an analytical proof of the equivalence as well as a computational validation making use of simple models and synthetic data. Some limitations and possible solutions are also discussed.

Directed deposition of inorganic oxide networks on patterned polymer templates

NASA Astrophysics Data System (ADS)

Ford, Thomas James Robert

Inspired by nature, we have successfully directed the deposition of inorganic oxide materials on polymer templates via a combination of top-down and bottom-up fabrication methods. We have functionally mimicked the hierarchical silica exoskeletons of diatoms, where specialized proteins chaperone the condensation of silicic acid into nanoscale silica networks confined by microscopic vesicle walls. We replaced the proteins with functionally analogous polyamines and vesicles with lithographically defined polymer templates. We grafted the polyamines either to the surface or throughout the template by changing the template chemistry and altering our grafting strategy. Exposure to an inorganic oxide precursor solution led to electrostatic aggregation at the polyamine chains, catalyzing hydrolysis and condensation to form long-range inorganic oxide nanoparticle networks. Grafted to epoxy surfaces, swelling effects and the hyperbranched brush morphology lead to the formation of nanofruit features that generated thin, conformal inorganic coatings. When the polyamines were grafted throughout hydrogel templates, we obtained composite networks that yielded faithful inorganic replicas of the original patterns. By varying the polyamine chain length and combustion parameters, we controlled the nanoparticle size, morphology, and crystalline phase. The polyamine morphology affected the resulting inorganic network in both fabrication schemes and we could control the depostion over multiple length scales. Because our methods were compatible with a variety of lithographic methods, we were able to generate inorganic replicas of 1D, 2D, and 3D polymer structures. These may be used for a wide range of applications, including sensing, catalysis, photonic, phononic, photovoltaic, and others that require well-defined inorganic structures.

Development of replicated optics for AXAF-1 XDA testing

NASA Technical Reports Server (NTRS)

Engelhaupt, Darell; Wilson, Michele; Martin, Greg

1995-01-01

Advanced optical systems for applications such as grazing incidence Wolter I x-ray mirror assemblies require extraordinary mirror surfaces in terms of fine finish and surface figure. The impeccable mirror surface is on the inside of the rotational mirror form. One practical method of producing devices with these requirements is to first fabricate an exterior surface for the optical device then replicate that surface to have the inverse component with lightweight characteristics. The replicated optic is not better than the master or mandrel from which it is made. This task identifies methods and materials for forming these extremely low roughness optical components. The objectives of this contract were to (1) prepare replication samples of electroless nickel coated aluminum, and determine process requirements for plating XDA test optic; (2) prepare and assemble plating equipment required to process a demonstration optic; (3) characterize mandrels, replicas and test samples for residual stress, surface contamination and surface roughness and figure using equipment at MSFC and; (4) provide technical expertise in establishing the processes, procedures, supplies and equipment needed to process the XDA test optics.

Biotribological evaluation of artificial disc arthroplasty devices: influence of loading and kinematic patterns during in vitro wear simulation.

PubMed

Grupp, Thomas M; Yue, James J; Garcia, Rolando; Basson, Janet; Schwiesau, Jens; Fritz, Bernhard; Blömer, Wilhelm

2009-01-01

Wear simulation is an essential pre-clinical method to predict the mid- and long-term clinical wear behavior of newly introduced devices for total disc arthroplasty. The main requirement of a suitable method for spinal wear simulation has to be the ability to distinguish between design concepts and allow for a direct comparison of predicate devices. The objective of our study was to investigate the influence of loading and kinematic patterns based on two different protocols for spinal wear simulation (ISO/FDIS 18192-1 (2006) and ASTM F2423-05). In vitro wear simulation was performed with six activ L lumbar artificial disc devices (Aesculap Tuttlingen, Germany). The applied kinematic pattern of movement was multidirectional for ISO (elliptic track) and unidirectional with a curvilinear shape for ASTM. Testing was done for 10 million cycles in the ISO loading mode and afterwards with the same specimens for 5 million cycles according to the ASTM protocol with a customized six-station servohydraulic spinal wear simulator (EndoLab Thansau, Germany). Gravimetrical and geometrical wear assessment, a slide track analysis correlated to an optical surface characterization, and an estimation of particle size and morphology were performed. The gravimetric wear rate for the first 10 million cycles was ISO(initial) = 2.7 +/- 0.3 mg/million cycles. During the ASTM test period (10-15 million cycles) a gravimetric wear rate of 0.14 +/- 0.06 mg/million cycles was estimated. The wear rates between the ISO and ASTM driven simulations differ substantially (approximately 20-fold) and statistical analysis demonstrates a significant difference (p < 0.001) between the test groups. The main explanation of divergency between ISO and ASTM driven wear simulations is the multidirectional pattern of movement described in the ISO document resulting in a cross-shear stress on the polyethylene material. Due to previous retrieval observations, it seems to be very unlikely that a lumbar artificial disc is loaded with a linear wear path.Testing according to ASTM F2423-05 with pure unidirectional motion does not reflect the kinematics of TDA patients' daily activities. Based on our findings it seems to be more reliable to predict the clinical wear behavior of an artificial disc replacement using the ISO/FDIS 18192-1 method.

Vascular corrosion casting technique steps.

PubMed

Verli, Flaviana Dornela; Rossi-Schneider, Tissiana Raquel; Schneider, Felipe Luís; Yurgel, Liliane Soares; de Souza, Maria Antonieta Lopes

2007-01-01

The vascular corrosion casting technique produces a replica of vascular beds of normal or pathological tissues. Once associated with scanning electron microscopy (SEM), this technique provides details of the three-dimensional anatomic arrangement of the vascular replica, which is the main advantage of this method. The present study is intended to describe the steps of the vascular corrosion casting technique and the different ways to perform them. them.

Incident Management Capability Metrics Version 0.1

DTIC Science & Technology

2007-04-01

guidance for proactively securing and hardening their infrastructure, for example6: • ISO 17799 ( ISO /IEC 17799:2005) [ ISO 2005a] • ISO 27001 ( ISO /IEC... 27001 :2005) [ ISO 2005b] • Control Objectives for Information and related Technology (COBIT) [ITGI 2006...security management systems – Requirements ( ISO /IEC 27001 :2005).http://www.iso.org/ iso /en/CatalogueDetailPage.CatalogueDetail?CSNUMBER=421 03 (2005

Fabrication of orderly nanostructured PLGA scaffolds using anodic aluminum oxide templates.

PubMed

Wang, Gou-Jen; Lin, Yan-Cheng; Li, Ching-Wen; Hsueh, Cheng-Chih; Hsu, Shan-Hui; Hung, Huey-Shan

2009-08-01

In this research, two simple fabrication methods to fabricate orderly nanostructured PLGA scaffolds using anodic aluminum oxide (AAO) template were conducted. In the vacuum air-extraction approach, the PLGA solution was cast on an AAO template first. The vacuum air-extraction process was then applied to suck the semi-congealed PLGA into the nanopores of the AAO template to form a bamboo sprouts array of PLGA. The surface roughness of the nanostructured scaffolds, ranging from 20 nm to 76 nm, can be controlled by the sucking time of the vacuum air-extraction process. In the replica molding approach, the PLGA solution was cast on the orderly scraggy barrier-layer surface of an AAO membrane to fabricate a PLGA scaffold of concave nanostructure. Cell culture experiments using the bovine endothelial cells (BEC) demonstrated that the nanostructured PLGA membrane can increase the cell growing rate, especially for the bamboo sprouts array scaffolds with smaller surface roughness.

Antireflective surface with a step in the taper: Numerical optimization and large-area fabrication

NASA Astrophysics Data System (ADS)

Shinotsuka, Kei; Hongo, Koki; Dai, Kotaro; Hirama, Satoru; Hatta, Yoshihisa

2017-02-01

In this study, we developed a practical method to improve the optical performance of subwavelength antireflective two-dimensional (2D) gratings. A numerical simulation of both convex and concave paraboloids suggested that surface reflectivity drastically decreases when a step is introduced in the taper. The optimum height and depth of a step provided average reflectances of 0.098% for convex protrusions and 0.040% for concave protrusions in the visible range. Furthermore, a stepped paraboloid was experimentally fabricated by dry etching of a Si substrate with SiO2 particle monolayer mask. A cyclo-olefin polymer (COP) reverse replica (concave) imprinted by the Si mold exhibited a measured reflectance of 0.077% on average in the visible range. It was also demonstrated that the antireflective structure was fabricated on the whole surface of a 6 in. Si wafer, which is a sufficient size for industrial utilization.

Improvement Technology Classification and Composition in Multimodel Environments

DTIC Science & Technology

2008-03-01

ISO 15504, ISO 12207 , and others COBIT, ITIL, SOX, and...Practice Elements CMMI PAs and PLA ISO 15504 and ISO 12207 COBIT EFQM ISO 9001 Improvement Method Elements Change management techniques: IDEAL and Six...others EFQM and others ISO 9001, ISO 61508, ISO 16949, and others Improvement Method Elements Change management techniques: IDEAL, Six Sigma,

Rooftop Energy Potential of Low Income Communities in America REPLICA

DOE Data Explorer

Mooney, Meghan (ORCID:0000000309406958); Sigrin, Ben

1970-01-01

The Rooftop Energy Potential of Low Income Communities in America REPLICA data set provides estimates of residential rooftop solar technical potential at the tract-level with emphasis on estimates for Low and Moderate Income LMI populations. In addition to technical potential REPLICA is comprised of 10 additional datasets at the tract-level to provide socio-demographic and market context. The model year vintage of REPLICA is 2015. The LMI solar potential estimates are made at the tract level grouped by Area Median Income AMI income tenure and building type. These estimates are based off of LiDAR data of 128 metropolitan areas statistical modeling and ACS 2011-2015 demographic data. The remaining datasets are supplemental datasets that can be used in conjunction with the technical potential data for general LMI solar analysis planning and policy making. The core dataset is a wide-format CSV file seeds_ii_replica.csv that can be tagged to a tract geometry using the GEOID or GISJOIN fields. In addition users can download geographic shapefiles for the main or supplemental datasets. This dataset was generated as part of the larger NREL-led SEEDSII Solar Energy Evolution and Diffusion Studies project and specifically for the NREL technical report titled Rooftop Solar Technical Potential for Low-to-Moderate Income Households in the United States by Sigrin and Mooney 2018. This dataset is intended to give researchers planners advocates and policy-makers access to credible data to analyze low-income solar issues and potentially perform cost-benefit analysis for program design. To explore the data in an interactive web mapping environment use the NREL SolarForAll app.

Fault Injection Campaign for a Fault Tolerant Duplex Framework

NASA Technical Reports Server (NTRS)

Sacco, Gian Franco; Ferraro, Robert D.; von llmen, Paul; Rennels, Dave A.

2007-01-01

Fault tolerance is an efficient approach adopted to avoid or reduce the damage of a system failure. In this work we present the results of a fault injection campaign we conducted on the Duplex Framework (DF). The DF is a software developed by the UCLA group [1, 2] that uses a fault tolerant approach and allows to run two replicas of the same process on two different nodes of a commercial off-the-shelf (COTS) computer cluster. A third process running on a different node, constantly monitors the results computed by the two replicas, and eventually restarts the two replica processes if an inconsistency in their computation is detected. This approach is very cost efficient and can be adopted to control processes on spacecrafts where the fault rate produced by cosmic rays is not very high.

Self-calibrating threshold detector

NASA Technical Reports Server (NTRS)

Barnes, J. R.; Huang, M. Y. (Inventor)

1980-01-01

A self calibrating threshold detector comprises a single demodulating channel which includes a mixer having one input receiving the incoming signal and another input receiving a local replica code. During a short time interval, an incorrect local code is applied to the mixer to incorrectly demodulate the incoming signal and to provide a reference level that calibrates the noise propagating through the channel. A sample and hold circuit is coupled to the channel for storing a sample of the reference level. During a relatively long time interval, the correct replica code provides an output level which ranges between the reference level and a maximum level that represents incoming signal presence and synchronism with the replica code. A summer substracts the stored sample reference from the output level to provide a resultant difference signal indicative of the acquisition of the expected signal.

Belief Propagation Algorithm for Portfolio Optimization Problems

PubMed Central

2015-01-01

The typical behavior of optimal solutions to portfolio optimization problems with absolute deviation and expected shortfall models using replica analysis was pioneeringly estimated by S. Ciliberti et al. [Eur. Phys. B. 57, 175 (2007)]; however, they have not yet developed an approximate derivation method for finding the optimal portfolio with respect to a given return set. In this study, an approximation algorithm based on belief propagation for the portfolio optimization problem is presented using the Bethe free energy formalism, and the consistency of the numerical experimental results of the proposed algorithm with those of replica analysis is confirmed. Furthermore, the conjecture of H. Konno and H. Yamazaki, that the optimal solutions with the absolute deviation model and with the mean-variance model have the same typical behavior, is verified using replica analysis and the belief propagation algorithm. PMID:26305462

Belief Propagation Algorithm for Portfolio Optimization Problems.

PubMed

Shinzato, Takashi; Yasuda, Muneki

2015-01-01

The typical behavior of optimal solutions to portfolio optimization problems with absolute deviation and expected shortfall models using replica analysis was pioneeringly estimated by S. Ciliberti et al. [Eur. Phys. B. 57, 175 (2007)]; however, they have not yet developed an approximate derivation method for finding the optimal portfolio with respect to a given return set. In this study, an approximation algorithm based on belief propagation for the portfolio optimization problem is presented using the Bethe free energy formalism, and the consistency of the numerical experimental results of the proposed algorithm with those of replica analysis is confirmed. Furthermore, the conjecture of H. Konno and H. Yamazaki, that the optimal solutions with the absolute deviation model and with the mean-variance model have the same typical behavior, is verified using replica analysis and the belief propagation algorithm.

Evaluation of generalized degrees of freedom for sparse estimation by replica method

NASA Astrophysics Data System (ADS)

Sakata, A.

2016-12-01

We develop a method to evaluate the generalized degrees of freedom (GDF) for linear regression with sparse regularization. The GDF is a key factor in model selection, and thus its evaluation is useful in many modelling applications. An analytical expression for the GDF is derived using the replica method in the large-system-size limit with random Gaussian predictors. The resulting formula has a universal form that is independent of the type of regularization, providing us with a simple interpretation. Within the framework of replica symmetric (RS) analysis, GDF has a physical meaning as the effective fraction of non-zero components. The validity of our method in the RS phase is supported by the consistency of our results with previous mathematical results. The analytical results in the RS phase are calculated numerically using the belief propagation algorithm.

Monolithic piezoelectric sensor (MPS) for sensing chemical, biochemical and physical measurands

DOEpatents

Andle, Jeffrey C.; Lec, Ryszard M.

2000-01-01

A piezoelectric sensor and assembly for measuring chemical, biochemical and physical measurands is disclosed. The piezoelectric sensor comprises a piezoelectric material, preferably a crystal, a common metal layer attached to the top surface of the piezoelectric crystal, and a pair of independent resonators placed in close proximity on the piezoelectric crystal such that an efficacious portion of acoustic energy couples between the resonators. The first independent resonator serves as an input port through which an input signal is converted into mechanical energy within the sensor and the second independent resonator serves an output port through which a filtered replica of the input signal is detected as an electrical signal. Both a time delay and an attenuation at a given frequency between the input signal and the filtered replica may be measured as a sensor output. The sensor may be integrated into an assembly with a series feedback oscillator and a radio frequency amplifier to process the desired sensor output. In the preferred embodiment of the invention, a selective film is disposed upon the grounded metal layer of the sensor and the resonators are encapsulated to isolate them from the measuring environment. In an alternative embodiment of the invention, more than two resonators are used in order to increase the resolution of the sensor.

Comparison of the fit of cast gold crowns fabricated from the digital and the conventional impression techniques

PubMed Central

Jeon, Young-Chan; Jeong, Chang-Mo

2017-01-01

PURPOSE The purpose of this study was to compare the fit of cast gold crowns fabricated from the conventional and the digital impression technique. MATERIALS AND METHODS Artificial tooth in a master model and abutment teeth in ten patients were restored with cast gold crowns fabricated from the digital and the conventional impression technique. The forty silicone replicas were cut in three sections; each section was evaluated in nine points. The measurement was carried out by using a measuring microscope and I-Soultion. Data from the silicone replica were analyzed and all tests were performed with α-level of 0.05. RESULTS 1. The average gaps of cast gold crowns fabricated from the digital impression technique were larger than those of the conventional impression technique significantly. 2. In marginal and internal axial gap of cast gold crowns, no statistical differences were found between the two impression techniques. 3. The internal occlusal gaps of cast gold crowns fabricated from the digital impression technique were larger than those of the conventional impression technique significantly. CONCLUSION Both prostheses presented clinically acceptable results with comparing the fit. The prostheses fabricated from the digital impression technique showed more gaps, in respect of occlusal surface. PMID:28243386

Plaque which Apollo 11 astronauts will leave on the moon

NASA Image and Video Library

1969-07-14

S69-39334 (July 1969) --- This is a replica of the plaque which the Apollo 11 astronauts will leave behind on the moon in commemoration of the historic event. The plaque is made of stainless steel, measuring nine by seven and five-eighths inches, and one-sixteenth inch thick. The plaque will be attached to the ladder on the landing gear strut on the descent stage of the Apollo 11 Lunar Module (LM). Covering the plaque during the flight will be a thin sheet of stainless steel which will be removed on the lunar surface.

Surface-structured bacterial cellulose with guided assembly-based biolithography (GAB).

PubMed

Bottan, Simone; Robotti, Francesco; Jayathissa, Prageeth; Hegglin, Alicia; Bahamonde, Nicolas; Heredia-Guerrero, José A; Bayer, Ilker S; Scarpellini, Alice; Merker, Hannes; Lindenblatt, Nicole; Poulikakos, Dimos; Ferrari, Aldo

2015-01-27

A powerful replica molding methodology to transfer on-demand functional topographies to the surface of bacterial cellulose nanofiber textures is presented. With this method, termed guided assembly-based biolithography (GAB), a surface-structured polydimethylsiloxane (PDMS) mold is introduced at the gas-liquid interface of an Acetobacter xylinum culture. Upon bacterial fermentation, the generated bacterial cellulose nanofibers are assembled in a three-dimensional network reproducing the geometric shape imposed by the mold. Additionally, GAB yields directional alignment of individual nanofibers and memory of the transferred geometrical features upon dehydration and rehydration of the substrates. Scanning electron and atomic force microscopy are used to establish the good fidelity of this facile and affordable method. Interaction of surface-structured bacterial cellulose substrates with human fibroblasts and keratinocytes illustrates the efficient control of cellular activities which are fundamental in skin wound healing and tissue regeneration. The deployment of surface-structured bacterial cellulose substrates in model animals as skin wound dressing or body implant further proves the high durability and low inflammatory response to the material over a period of 21 days, demonstrating beneficial effects of surface structure on skin regeneration.

On the suitability of fiberglass reinforced polyester as building material for mesocosms.

PubMed

Berghahn, R; Brandsch, J; Piringer, O; Pluta, H J; Winkler, T

1999-07-01

Gel- and topcoat surface layers on fiberglass [glass-reinforced plastic (GRP)] made of unsaturated resin based on isophthalic acid polyester and neopentyl glycol (ISO-NPG) were tested for leaching, ecotoxicity of water eluates, and abrasion by river sediments at a current speed of 0.5 m * s-1. Leaching from topcoat tempered at low temperature was significant, whereas it was negligible from highly tempered gelcoat. Water eluates from both gel-and topcoat were nontoxic in routinely employed biotests (bacteria, algae, daphnids). No abrasion by river sediments was detectable. Based on these results, GRP with gelcoat made of ISO-NPG is considered a suitable building material for mesocosms. Copyright 1999 Academic Press.

A Structured Approach for Reviewing Architecture Documentation

DTIC Science & Technology

2009-12-01

as those found in ISO 12207 [ ISO /IEC 12207 :2008] (for software engineering), ISO 15288 [ ISO /IEC 15288:2008] (for systems engineering), the Rational...Open Distributed Processing - Reference Model: Foundations ( ISO /IEC 10746-2). 1996. [ ISO /IEC 12207 :2008] International Organization for...Standardization & International Electrotechnical Commission. Sys- tems and software engineering – Software life cycle processes ( ISO /IEC 12207 ). 2008. [ ISO

Free-Energy Fluctuations and Chaos in the Sherrington-Kirkpatrick Model

NASA Astrophysics Data System (ADS)

Aspelmeier, T.

2008-03-01

The sample-to-sample fluctuations ΔFN of the free-energy in the Sherrington-Kirkpatrick model are shown rigorously to be related to bond chaos. Via this connection, the fluctuations become analytically accessible by replica methods. The replica calculation for bond chaos shows that the exponent μ governing the growth of the fluctuations with system size N, ΔFN˜Nμ, is bounded by μ≤(1)/(4).

Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method

DTIC Science & Technology

2011-12-01

REMD while reproducing the energy landscape of explicit solvent simulations . ’ INTRODUCTION Molecular dynamics (MD) simulations of proteins can pro...Mongan, J.; McCammon, J. A. Accelerated molecular dynamics : a promising and efficient simulation method for biomolecules. J. Chem. Phys. 2004, 120 (24...Chemical Theory and Computation ARTICLE (8) Abraham,M. J.; Gready, J. E. Ensuringmixing efficiency of replica- exchange molecular dynamics simulations . J

Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts.

PubMed

Camilloni, Carlo; Robustelli, Paul; De Simone, Alfonso; Cavalli, Andrea; Vendruscolo, Michele

2012-03-07

Following the recognition that NMR chemical shifts can be used for protein structure determination, rapid advances have recently been made in methods for extending this strategy for proteins and protein complexes of increasing size and complexity. A remaining major challenge is to develop approaches to exploit the information contained in the chemical shifts about conformational fluctuations in native states of proteins. In this work we show that it is possible to determine an ensemble of conformations representing the free energy surface of RNase A using chemical shifts as replica-averaged restraints in molecular dynamics simulations. Analysis of this surface indicates that chemical shifts can be used to characterize the conformational equilibrium between the two major substates of this protein. © 2012 American Chemical Society

DIRAC File Replica and Metadata Catalog

NASA Astrophysics Data System (ADS)

Tsaregorodtsev, A.; Poss, S.

2012-12-01

File replica and metadata catalogs are essential parts of any distributed data management system, which are largely determining its functionality and performance. A new File Catalog (DFC) was developed in the framework of the DIRAC Project that combines both replica and metadata catalog functionality. The DFC design is based on the practical experience with the data management system of the LHCb Collaboration. It is optimized for the most common patterns of the catalog usage in order to achieve maximum performance from the user perspective. The DFC supports bulk operations for replica queries and allows quick analysis of the storage usage globally and for each Storage Element separately. It supports flexible ACL rules with plug-ins for various policies that can be adopted by a particular community. The DFC catalog allows to store various types of metadata associated with files and directories and to perform efficient queries for the data based on complex metadata combinations. Definition of file ancestor-descendent relation chains is also possible. The DFC catalog is implemented in the general DIRAC distributed computing framework following the standard grid security architecture. In this paper we describe the design of the DFC and its implementation details. The performance measurements are compared with other grid file catalog implementations. The experience of the DFC Catalog usage in the CLIC detector project are discussed.

Two-dimensional replica exchange approach for peptide-peptide interactions

NASA Astrophysics Data System (ADS)

Gee, Jason; Shell, M. Scott

2011-02-01

The replica exchange molecular dynamics (REMD) method has emerged as a standard approach for simulating proteins and peptides with rugged underlying free energy landscapes. We describe an extension to the original methodology—here termed umbrella-sampling REMD (UREMD)—that offers specific advantages in simulating peptide-peptide interactions. This method is based on the use of two dimensions in the replica cascade, one in temperature as in conventional REMD, and one in an umbrella sampling coordinate between the center of mass of the two peptides that aids explicit exploration of the complete association-dissociation reaction coordinate. To mitigate the increased number of replicas required, we pursue an approach in which the temperature and umbrella dimensions are linked at only fully associated and dissociated states. Coupled with the reweighting equations, the UREMD method aids accurate calculations of normalized free energy profiles and structural or energetic measures as a function of interpeptide separation distance. We test the approach on two families of peptides: a series of designed tetrapeptides that serve as minimal models for amyloid fibril formation, and a fragment of a classic leucine zipper peptide and its mutant. The results for these systems are compared to those from conventional REMD simulations, and demonstrate good convergence properties, low statistical errors, and, for the leucine zippers, an ability to sample near-native structures.

Zebrafish response to a robotic replica in three dimensions

PubMed Central

Ruberto, Tommaso; Mwaffo, Violet; Singh, Sukhgewanpreet; Neri, Daniele

2016-01-01

As zebrafish emerge as a species of choice for the investigation of biological processes, a number of experimental protocols are being developed to study their social behaviour. While live stimuli may elicit varying response in focal subjects owing to idiosyncrasies, tiredness and circadian rhythms, video stimuli suffer from the absence of physical input and rely only on two-dimensional projections. Robotics has been recently proposed as an alternative approach to generate physical, customizable, effective and consistent stimuli for behavioural phenotyping. Here, we contribute to this field of investigation through a novel four-degree-of-freedom robotics-based platform to manoeuvre a biologically inspired three-dimensionally printed replica. The platform enables three-dimensional motions as well as body oscillations to mimic zebrafish locomotion. In a series of experiments, we demonstrate the differential role of the visual stimuli associated with the biologically inspired replica and its three-dimensional motion. Three-dimensional tracking and information-theoretic tools are complemented to quantify the interaction between zebrafish and the robotic stimulus. Live subjects displayed a robust attraction towards the moving replica, and such attraction was lost when controlling for its visual appearance or motion. This effort is expected to aid zebrafish behavioural phenotyping, by offering a novel approach to generate physical stimuli moving in three dimensions. PMID:27853566

Random forest regression for magnetic resonance image synthesis.

PubMed

Jog, Amod; Carass, Aaron; Roy, Snehashis; Pham, Dzung L; Prince, Jerry L

2017-01-01

By choosing different pulse sequences and their parameters, magnetic resonance imaging (MRI) can generate a large variety of tissue contrasts. This very flexibility, however, can yield inconsistencies with MRI acquisitions across datasets or scanning sessions that can in turn cause inconsistent automated image analysis. Although image synthesis of MR images has been shown to be helpful in addressing this problem, an inability to synthesize both T 2 -weighted brain images that include the skull and FLuid Attenuated Inversion Recovery (FLAIR) images has been reported. The method described herein, called REPLICA, addresses these limitations. REPLICA is a supervised random forest image synthesis approach that learns a nonlinear regression to predict intensities of alternate tissue contrasts given specific input tissue contrasts. Experimental results include direct image comparisons between synthetic and real images, results from image analysis tasks on both synthetic and real images, and comparison against other state-of-the-art image synthesis methods. REPLICA is computationally fast, and is shown to be comparable to other methods on tasks they are able to perform. Additionally REPLICA has the capability to synthesize both T 2 -weighted images of the full head and FLAIR images, and perform intensity standardization between different imaging datasets. Copyright © 2016 Elsevier B.V. All rights reserved.

A rational repeating template method for synthesis of 2D hexagonally ordered mesoporous precious metals.

PubMed

Takai, Azusa; Doi, Yoji; Yamauchi, Yusuke; Kuroda, Kazuyuki

2011-03-01

A repeating template method is presented for the synthesis of mesoporous metals with 2D hexagonal mesostructures. First, a silica replica (i.e., silica nanorods arranged periodically) is prepared by using 2D hexagonally ordered mesoporous carbon as the template. After that, the obtained silica replica is used as the second template for the preparation of mesoporous ruthenium. After the ruthenium species are introduced into the silica replica, the ruthenium species are then reduced by a vapor-infiltration method by using the reducing agent dimethylamine borane. After the ruthenium deposition, the silica is chemically removed. Analysis by transmission and scanning electron microscopies, a nitrogen-adsorption-desorption isotherm, and small-angle X-ray scattering revealed that the mesoporous ruthenium had a 2D hexagonal mesostructure, although the mesostructural ordering is decreased compared to that of the original mesoporous carbon template. This method is widely applicable to other metal systems. By changing the metal species introduced into the silica replica, several mesoporous metals (palladium and platinum) can be synthesized. Ordered mesoporous ruthenium and palladium, which are not easily attainable by the soft-templating methods, can be prepared. This study has overcome the composition variation limitations of the soft-templating method. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Distributed feedback laser biosensor incorporating a titanium dioxide nanorod surface

NASA Astrophysics Data System (ADS)

Ge, Chun; Lu, Meng; Zhang, Wei; Cunningham, Brian T.

2010-04-01

A dielectric nanorod structure is used to enhance the label-free detection sensitivity of a vertically-emitting distributed feedback laser biosensor (DFBLB). The device is comprised of a replica molded plastic grating that is subsequently coated with a dye-doped polymer layer and a TiO2 nanorod layer produced by the glancing angle deposition technique. The DFBLB emission wavelength is modulated by the adsorption of biomolecules, whose greater dielectric permittivity with respect to the surrounding liquid media will increase the laser wavelength in proportion to the density of surface-adsorbed biomaterial. The nanorod layer provides greater surface area than a solid dielectric thin film, resulting in the ability to incorporate a greater number of molecules. The detection of a monolayer of protein polymer poly (Lys, Phe) is used to demonstrate that a 90 nm TiO2 nanorod structure improves the detection sensitivity by a factor of 6.6 compared to an identical sensor with a nonporous TiO2 surface.

Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces.

PubMed

Levine, Zachary A; Rapp, Michael V; Wei, Wei; Mullen, Ryan Gotchy; Wu, Chun; Zerze, Gül H; Mittal, Jeetain; Waite, J Herbert; Israelachvili, Jacob N; Shea, Joan-Emma

2016-04-19

Translating sticky biological molecules-such as mussel foot proteins (MFPs)-into synthetic, cost-effective underwater adhesives with adjustable nano- and macroscale characteristics requires an intimate understanding of the glue's molecular interactions. To help facilitate the next generation of aqueous adhesives, we performed a combination of surface forces apparatus (SFA) measurements and replica-exchange molecular dynamics (REMD) simulations on a synthetic, easy to prepare, Dopa-containing peptide (MFP-3s peptide), which adheres to organic surfaces just as effectively as its wild-type protein analog. Experiments and simulations both show significant differences in peptide adsorption on CH3-terminated (hydrophobic) and OH-terminated (hydrophilic) self-assembled monolayers (SAMs), where adsorption is strongest on hydrophobic SAMs because of orientationally specific interactions with Dopa. Additional umbrella-sampling simulations yield free-energy profiles that quantitatively agree with SFA measurements and are used to extract the adhesive properties of individual amino acids within the context of MFP-3s peptide adhesion, revealing a delicate balance between van der Waals, hydrophobic, and electrostatic forces.

Assessment of geometrical characteristics of dental endodontic micro-instruments utilizing X-ray micro computed tomography

PubMed Central

Al JABBARI, Youssef S.; TSAKIRIDIS, Peter; ELIADES, George; AL-HADLAQ, Solaiman M.; ZINELIS, Spiros

2012-01-01

Objective The aim of this study was to quantify the surface area, volume and specific surface area of endodontic files employing quantitative X-ray micro computed tomography (mXCT). Material and Methods Three sets (six files each) of the Flex-Master Ni-Ti system (Nº 20, 25 and 30, taper .04) were utilized in this study. The files were scanned by mXCT. The surface area and volume of all files were determined from the cutting tip up to 16 mm. The data from the surface area, volume and specific area were statistically evaluated using the one-way ANOVA and SNK multiple comparison tests at α=0.05, employing the file size as a discriminating variable. The correlation between the surface area and volume with nominal ISO sizes were tested employing linear regression analysis. Results The surface area and volume of Nº 30 files showed the highest value followed by Nº 25 and Nº 20 and the differences were statistically significant. The Nº 20 files showed a significantly higher specific surface area compared to Nº 25 and Nº 30. The increase in surface and volume towards higher file sizes follows a linear relationship with the nominal ISO sizes (r2=0.930 for surface area and r2=0.974 for volume respectively). Results indicated that the surface area and volume demonstrated an almost linear increase while the specific surface area exhibited an abrupt decrease towards higher sizes. Conclusions This study demonstrates that mXCT can be effectively applied to discriminate very small differences in the geometrical features of endodontic micro-instruments, while providing quantitative information for their geometrical properties. PMID:23329248

Isometric Non-Rigid Shape-from-Motion with Riemannian Geometry Solved in Linear Time.

PubMed

Parashar, Shaifali; Pizarro, Daniel; Bartoli, Adrien

2017-10-06

We study Isometric Non-Rigid Shape-from-Motion (Iso-NRSfM): given multiple intrinsically calibrated monocular images, we want to reconstruct the time-varying 3D shape of a thin-shell object undergoing isometric deformations. We show that Iso-NRSfM is solvable from local warps, the inter-image geometric transformations. We propose a new theoretical framework based on the Riemmanian manifold to represent the unknown 3D surfaces as embeddings of the camera's retinal plane. This allows us to use the manifold's metric tensor and Christoffel Symbol (CS) fields. These are expressed in terms of the first and second order derivatives of the inverse-depth of the 3D surfaces, which are the unknowns for Iso-NRSfM. We prove that the metric tensor and the CS are related across images by simple rules depending only on the warps. This forms a set of important theoretical results. We show that current solvers cannot solve for the first and second order derivatives of the inverse-depth simultaneously. We thus propose an iterative solution in two steps. 1) We solve for the first order derivatives assuming that the second order derivatives are known. We initialise the second order derivatives to zero, which is an infinitesimal planarity assumption. We derive a system of two cubics in two variables for each image pair. The sum-of-squares of these polynomials is independent of the number of images and can be solved globally, forming a well-posed problem for N ≥ 3 images. 2) We solve for the second order derivatives by initialising the first order derivatives from the previous step. We solve a linear system of 4N-4 equations in three variables. We iterate until the first order derivatives converge. The solution for the first order derivatives gives the surfaces' normal fields which we integrate to recover the 3D surfaces. The proposed method outperforms existing work in terms of accuracy and computation cost on synthetic and real datasets.

Development of a ubiquitously transferrable silver-nanoparticle-loaded polymer nanosheet as an antimicrobial coating.

PubMed

Ito, Keisuke; Saito, Akihiro; Fujie, Toshinori; Miyazaki, Hiromi; Kinoshita, Manabu; Saitoh, Daizoh; Ohtsubo, Shinya; Takeoka, Shinji

2016-04-01

Ultra-thin polymer films (nanosheets) fabricated by a layer-by-layer (LbL) method possess unique properties such as high flexibility, adhesive strength, and transparency, and can be peeled off from a substrate and attached to various surfaces via a water-soluble supporting film. Therefore, flexible and transferrable LbL nanosheets are convenient tools as coating materials. Here, we fabricated a novel antimicrobial coating material by embedding silver nanoparticles (AgNPs) in an LbL nanosheet composed of layers of chitosan and sodium alginate (Ag-LbL nanosheet) by means of a photo-reduction method. Optimizing the amount of irradiated energy applied led to robust antimicrobial efficacy against methicillin-resistant Staphylococcus aureus (MRSA), sufficient to meet ISO standards (ISO 22196), while maintaining the flexibility and adhesive potency of the LbL nanosheet. Thus, the Ag-LbL nanosheet is a promising coating material that can provide antimicrobial efficacy to various surfaces. © 2015 Wiley Periodicals, Inc.

Aseptic laboratory techniques: plating methods.

PubMed

Sanders, Erin R

2012-05-11

Microorganisms are present on all inanimate surfaces creating ubiquitous sources of possible contamination in the laboratory. Experimental success relies on the ability of a scientist to sterilize work surfaces and equipment as well as prevent contact of sterile instruments and solutions with non-sterile surfaces. Here we present the steps for several plating methods routinely used in the laboratory to isolate, propagate, or enumerate microorganisms such as bacteria and phage. All five methods incorporate aseptic technique, or procedures that maintain the sterility of experimental materials. Procedures described include (1) streak-plating bacterial cultures to isolate single colonies, (2) pour-plating and (3) spread-plating to enumerate viable bacterial colonies, (4) soft agar overlays to isolate phage and enumerate plaques, and (5) replica-plating to transfer cells from one plate to another in an identical spatial pattern. These procedures can be performed at the laboratory bench, provided they involve non-pathogenic strains of microorganisms (Biosafety Level 1, BSL-1). If working with BSL-2 organisms, then these manipulations must take place in a biosafety cabinet. Consult the most current edition of the Biosafety in Microbiological and Biomedical Laboratories (BMBL) as well as Material Safety Data Sheets (MSDS) for Infectious Substances to determine the biohazard classification as well as the safety precautions and containment facilities required for the microorganism in question. Bacterial strains and phage stocks can be obtained from research investigators, companies, and collections maintained by particular organizations such as the American Type Culture Collection (ATCC). It is recommended that non-pathogenic strains be used when learning the various plating methods. By following the procedures described in this protocol, students should be able to: Perform plating procedures without contaminating media. Isolate single bacterial colonies by the streak-plating method. Use pour-plating and spread-plating methods to determine the concentration of bacteria. Perform soft agar overlays when working with phage. Transfer bacterial cells from one plate to another using the replica-plating procedure. Given an experimental task, select the appropriate plating method.

CMMI (Trademark) for Development, Version 1.2

DTIC Science & Technology

2006-08-01

IEC TR 12207 Information Technology—Software Life Cycle Processes, 1995. http://www.jtc1-sc7.org. ISO 1998 International Organization for...We also consult other standards as needed, including the following: • ISO 9000 [ ISO 1987] • ISO /IEC 12207 [ ISO 1995] • ISO /IEC 15504 [ ISO 2006... ISO /IEC) body of standards. CMMs focus on improving processes in an organization. They contain the essential elements of effective processes for one

Development of CFRP mirrors for space telescopes

NASA Astrophysics Data System (ADS)

Utsunomiya, Shin; Kamiya, Tomohiro; Shimizu, Ryuzo

2013-09-01

CFRP (Caron fiber reinforced plastics) have superior properties of high specific elasticity and low thermal expansion for satellite telescope structures. However, difficulties to achieve required surface accuracy and to ensure stability in orbit have discouraged CFRP application as main mirrors. We have developed ultra-light weight and high precision CFRP mirrors of sandwich structures composed of CFRP skins and CFRP cores using a replica technique. Shape accuracy of the demonstrated mirrors of 150 mm in diameter was 0.8 μm RMS (Root Mean Square) and surface roughness was 5 nm RMS as fabricated. Further optimization of fabrication process conditions to improve surface accuracy was studied using flat sandwich panels. Then surface accuracy of the flat CFRP sandwich panels of 150 mm square was improved to flatness of 0.2 μm RMS with surface roughness of 6 nm RMS. The surface accuracy vs. size of trial models indicated high possibility of fabrication of over 1m size mirrors with surface accuracy of 1μm. Feasibility of CFRP mirrors for low temperature applications was examined for JASMINE project as an example. Stability of surface accuracy of CFRP mirrors against temperature and moisture was discussed.

CrossTalk: The Journal of Defense Software Engineering. Volume 21, Number 12

DTIC Science & Technology

2008-12-01

that provide recognized certifications, and examples of how these standards relate. The first qual- ification ( ISO 27000 ) should be strongly considered...Several ISO 20000 requirements relate to ISO 27000 and ISO 9001. As a result, achieving ISO 20000 cer- tification helps an organization to also...achieve ISO 9001 and ISO 27000 certifica- tion. ISO 20000 certification can also help organizations with CMMI® appraisals. Table 1 also shows some of the

Strategy for infrared photometry of comets with ISO

NASA Astrophysics Data System (ADS)

Solc, M.; Vanysek, V.; Gruen, E.

1994-07-01

The launch of the ISO (Infrared Satellite Observatory) by the European Space Agency is scheduled for autumn 1995. Photometry and spectrophotometry observing programs of comets in the wavelength range 2.5-200 microns for the onboard spectrophotometer ISOPHOT is now under final preparation. Technical details for preparing propasals are given. Phenomena in comets to be studied are surface properties of bare cometary nuclei at large heliocentric distances, onset of coma activity, and coma dust and gas emission (in inner solar system). Dust production, dust/gas mass ratio, dust distribution in coma, and their temporal variability are important for understanding the physical processes on nuclei, and spectrophotometry in the range of 2.5-12 microns could provide us with data of the chemical composition of cometary dust. Several active comets expected for the 18-month lifetime of ISO in 1995-1997 were selected for the ISO Central Program according to their orbital and physical parameters: P/Schwassman-Wachmann 1, P/Encke, P/d'Arrest, P/Honda-Mrkos-Pajdusakova, P/Churyumov-Gerasimenko, P/Kopff, P/IRAS, P/Wirtanen, P/Wild 2, P/Grigg-Skjellerup, P/Schwassman-Wachmann 3, P/Machholz, and (2060) Chiron. Four of them match well various constraints put on the observations by the technical arrangement of the satellite and instrument. A simple four-parameter model (size, albedo, rotation, optical thickness)was developed to estimate the temperatures and thermal fluxes of both solid nuclei and dust coma.

Critical physiological factors influencing the outcome of antimicrobial testing according to ISO 22196 / JIS Z 2801.

PubMed

Wiegand, Cornelia; Völpel, Andrea; Ewald, Andrea; Remesch, Markko; Kuever, Jan; Bauer, Janine; Griesheim, Stefanie; Hauser, Carolin; Thielmann, Julian; Tonndorf-Martini, Silke; Sigusch, Bernd W; Weisser, Jürgen; Wyrwa, Ralf; Elsner, Peter; Hipler, Uta-Christina; Roth, Martin; Dewald, Carolin; Lüdecke-Beyer, Claudia; Bossert, Jörg

2018-01-01

Bactericidal materials gained interest in the health care sector as they are capable of preventing material surfaces from microbial colonization and subsequent spread of infections. However, commercialization of antimicrobial materials requires proof of their efficacy, which is usually done using in vitro methods. The ISO 22196 standard (Japanese test method JIS Z 2801) is a method for measuring the antibacterial activity of daily goods. As it was found reliable for testing the biocidal activity of antimicrobially active materials and surface coatings most of the laboratories participating in this study used this protocol. Therefore, a round robin test for evaluating antimicrobially active biomaterials had to be established. To our knowledge, this is the first report on inaugurating a round robin test for the ISO 22196 / JIS Z 2801. The first round of testing showed that analyses in the different laboratories yielded different results, especially for materials with intermediate antibacterial effects distinctly different efficacies were noted. Scrutinizing the protocols used by the different participants and identifying the factors influencing the test outcomes the approach was unified. Four critical factors influencing the outcome of antibacterial testing were identified in a series of experiments: (1) incubation time, (2) bacteria starting concentration, (3) physiological state of bacteria (stationary or exponential phase of growth), and (4) nutrient concentration. To our knowledge, this is the first time these parameters have been analyzed for their effect on the outcome of testing according to ISO 22196 / JIS Z 2801. In conclusion, to enable assessment of the results obtained it is necessary to evaluate these single parameters in the test protocol carefully. Furthermore, uniform and robust definitions of the terms antibacterial efficacy / activity, bacteriostatic effects, and bactericidal action need to be agreed upon to simplify communication of results and also regulate expectations regarding antimicrobial tests, outcomes, and materials.

Critical physiological factors influencing the outcome of antimicrobial testing according to ISO 22196 / JIS Z 2801

PubMed Central

Völpel, Andrea; Ewald, Andrea; Remesch, Markko; Kuever, Jan; Bauer, Janine; Griesheim, Stefanie; Hauser, Carolin; Thielmann, Julian; Tonndorf-Martini, Silke; Sigusch, Bernd W.; Weisser, Jürgen; Wyrwa, Ralf; Elsner, Peter; Hipler, Uta-Christina; Roth, Martin; Dewald, Carolin; Lüdecke-Beyer, Claudia; Bossert, Jörg

2018-01-01

Bactericidal materials gained interest in the health care sector as they are capable of preventing material surfaces from microbial colonization and subsequent spread of infections. However, commercialization of antimicrobial materials requires proof of their efficacy, which is usually done using in vitro methods. The ISO 22196 standard (Japanese test method JIS Z 2801) is a method for measuring the antibacterial activity of daily goods. As it was found reliable for testing the biocidal activity of antimicrobially active materials and surface coatings most of the laboratories participating in this study used this protocol. Therefore, a round robin test for evaluating antimicrobially active biomaterials had to be established. To our knowledge, this is the first report on inaugurating a round robin test for the ISO 22196 / JIS Z 2801. The first round of testing showed that analyses in the different laboratories yielded different results, especially for materials with intermediate antibacterial effects distinctly different efficacies were noted. Scrutinizing the protocols used by the different participants and identifying the factors influencing the test outcomes the approach was unified. Four critical factors influencing the outcome of antibacterial testing were identified in a series of experiments: (1) incubation time, (2) bacteria starting concentration, (3) physiological state of bacteria (stationary or exponential phase of growth), and (4) nutrient concentration. To our knowledge, this is the first time these parameters have been analyzed for their effect on the outcome of testing according to ISO 22196 / JIS Z 2801. In conclusion, to enable assessment of the results obtained it is necessary to evaluate these single parameters in the test protocol carefully. Furthermore, uniform and robust definitions of the terms antibacterial efficacy / activity, bacteriostatic effects, and bactericidal action need to be agreed upon to simplify communication of results and also regulate expectations regarding antimicrobial tests, outcomes, and materials. PMID:29558480

Titanium Damage Tolerant Design Data for Propulsion Systems

DTIC Science & Technology

1977-08-01

for the threshold and 30 Hz tests were measured using cellulose acetate tape replicas with an accuracy of 0.001 in. (0.0025 mm) for changes in crack...monitored with the traveling telescope and verified with cellulose acetate tape replicas. Testing was performed in load control on servo-hydraulic...34 Contract F33615-75-C-5064, First Semiannual Report, AFML, December 1975. 2. Erdogan F. and M. Ratwani, "Fatigue and Fracture of Cylindrical Shells

Multicast Parametric Synchronous Sampling

DTIC Science & Technology

2011-09-01

enhancement in a parametric mixer device. Fig. 4 shows the principle of generating uniform, high quality replicas extending over previously un-attainable...critical part of the MPASS architecture and is responsible for the direct and continuous acquisition of data across all of the multicast signal copies...ii) ability to copy THz signals with impunity to tens of replicas ; (iii) all-optical delays > 1.9 us; (iv) 10’s of THz-fast all-optical sampling of

Broken Replica Symmetry Bounds in the Mean Field Spin Glass Model

NASA Astrophysics Data System (ADS)

Guerra, Francesco

By using a simple interpolation argument, in previous work we have proven the existence of the thermodynamic limit, for mean field disordered models, including the Sherrington-Kirkpatrick model, and the Derrida p-spin model. Here we extend this argument in order to compare the limiting free energy with the expression given by the Parisi Ansatz, and including full spontaneous replica symmetry breaking. Our main result is that the quenched average of the free energy is bounded from below by the value given in the Parisi Ansatz, uniformly in the size of the system. Moreover, the difference between the two expressions is given in the form of a sum rule, extending our previous work on the comparison between the true free energy and its replica symmetric Sherrington-Kirkpatrick approximation. We give also a variational bound for the infinite volume limit of the ground state energy per site.

Neutron and gamma dose and spectra measurements on the Little Boy replica

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

Hoots, S.; Wadsworth, D.

1984-06-01

The radiation-measurement team of the Weapons Engineering Division at Lawrence Livermore National Laboratory (LLNL) measured neutron and gamma dose and spectra on the Little Boy replica at Los Alamos National Laboratory (LANL) in April 1983. This assembly is a replica of the gun-type atomic bomb exploded over Hiroshima in 1945. These measurements support the National Academy of Sciences Program to reassess the radiation doses due to atomic bomb explosions in Japan. Specifically, the following types of information were important: neutron spectra as a function of geometry, gamma to neutron dose ratios out to 1.5 km, and neutron attenuation in themore » atmosphere. We measured neutron and gamma dose/fission from close-in to a kilometer out, and neutron and gamma spectra at 90 and 30/sup 0/ close-in. This paper describes these measurements and the results. 12 references, 13 figures, 5 tables.« less

Platinum replica electron microscopy: Imaging the cytoskeleton globally and locally.

PubMed

Svitkina, Tatyana M

2017-05-01

Structural studies reveal how smaller components of a system work together as a whole. However, combining high resolution of details with full coverage of the whole is challenging. In cell biology, light microscopy can image many cells in their entirety, but at a lower resolution, whereas electron microscopy affords very high resolution, but usually at the expense of the sample size and coverage. Structural analyses of the cytoskeleton are especially demanding, because cytoskeletal networks are unresolvable by light microscopy due to their density and intricacy, whereas their proper preservation is a challenge for electron microscopy. Platinum replica electron microscopy can uniquely bridge the gap between the "comfort zones" of light and electron microscopy by allowing high resolution imaging of the cytoskeleton throughout the entire cell and in many cells in the population. This review describes the principles and applications of platinum replica electron microscopy for studies of the cytoskeleton. Copyright © 2017 Elsevier Ltd. All rights reserved.

Platinum Replica Electron Microscopy: Imaging the Cytoskeleton Globally and Locally

PubMed Central

SVITKINA, Tatyana M.

2017-01-01

Structural studies reveal how smaller components of a system work together as a whole. However, combining high resolution of details with full coverage of the whole is challenging. In cell biology, light microscopy can image many cells in their entirety, but at a lower resolution, whereas electron microscopy affords very high resolution, but usually at the expense of the sample size and coverage. Structural analyses of the cytoskeleton are especially demanding, because cytoskeletal networks are unresolvable by light microscopy due to their density and intricacy, whereas their proper preservation is a challenge for electron microscopy. Platinum replica electron microscopy can uniquely bridge the gap between the “comfort zones” of light and electron microscopy by allowing high resolution imaging of the cytoskeleton throughout the entire cell and in many cells in the population. This review describes the principles and applications of platinum replica electron microscopy for studies of the cytoskeleton. PMID:28323208

Histopathology of human superficial herpes simplex keratitis.

PubMed Central

Maudgal, P. C.; Missotten, L.

1978-01-01

In vivo corneal replicas were made in 20 cases of patients with superficial dendritic ulcers of the cornea. Histopathological study of the replicas and superficial epithelial cells showed that the dendrites are composed of rounded epithelial cells and variable sized syncytia containing bizarre shaped nuclei. Pseudopodia-like processes containing DNA and some RNA extend from the syncytia into the surrounding epithelial cells, which on coming into contact with these processes become rounded and liquefied to give rise to another syncytium. The epithelial cells adjacent to the dendrite and elongated and usually orientated parallel to the long axis of the lesion. Surrounding the terminal bulbs, they are disposed in an arcuate fashion. These cells show C-mitotic lesions, intranuclear and cytoplasmic inclusion bodies, and polykaryocyte formation. Microscopic examination of the corneal replicas shows the intranuclear lesions and rounding of cells up to about 2 mm away from the dendritic ulcers. These areas appear normal on clinical examination. Images PMID:629910

Probing exciton density of states through phonon-assisted emission in GaN epilayers: A and B exciton contributions

NASA Astrophysics Data System (ADS)

Cavigli, Lucia; Gabrieli, Riccardo; Gurioli, Massimo; Bogani, Franco; Feltin, Eric; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas; Vinattieri, Anna

2010-09-01

A detailed experimental investigation of the phonon-assisted emission in a high-quality c -plane GaN epilayer is presented up to 200 K. By performing photoluminescence and reflectivity measurements, we find important etaloning effects in the phonon-replica spectra, which have to be corrected before addressing the lineshape analysis. Direct experimental evidence for free exciton thermalization is found for the whole temperature range investigated. A close comparison with existing models for phonon replicas originating from a thermalized free exciton distribution shows that the simplified and commonly adopted description of the exciton-phonon interaction with a single excitonic band leads to a large discrepancy with experimental data. Only the consideration of the complex nature of the excitonic band in GaN, including A and B exciton contributions, allows accounting for the temperature dependence of the peak energy, intensity, and lineshape of the phonon replicas.

Golden legacy from ESA's observatory

NASA Astrophysics Data System (ADS)

2003-07-01

ISO was the first space observatory able to see the sky in infrared light. Using its eyes, we have discovered many new phenomena that have radically changed our view of the Universe. Everybody knows that when something is heated it glows. However, things also glow with a light our eyes cannot detect at room temperature: infrared light. Infrared telescopes do not work well on the Earth’s surface because such light is absorbed by the atmosphere. ISO looked at the cold parts of the universe, usually the 'cold and dusty' parts. It peered into clouds of dust and gas where stars were being born, observing for the first time the earliest stages of star formation. It discovered, for example, that stars begin to form at temperatures as low as -250°C or less. Scientists were able to follow the evolution of dust from where it is produced (that is, old stars - the massive 'dust factories') to the regions where it forms new planetary systems. ISO found that most young stars are surrounded by discs of dust that could harbour planets. The observatory also analysed the chemical composition of cosmic dust, thereby opening up a new field of research, ‘astromineralogy’. With ISO we have been able to discover the presence of water in many different regions in space. Another new discipline, 'astrochemistry', was boosted when ISO discovered that the water molecule is common in the Universe, even in distant galaxies, and complex organic molecules like benzene readily form in the surroundings of some stars. "ISO results are impacting most fields of astronomical research, almost literally from comets to cosmology," explains Alberto Salama, ISO Project Scientist. "Some results answer questions. Others open new fields. Some are already being followed up by existing telescopes; others have to await future facilities." When ISO's operational life ended, in 1998, its observations became freely available to the world scientific community via ISO’s data archive. In May 2003 the 'milestone number' of 1000 scientific papers was reached. Even now ISO's data archive remains a valuable source of new results. For example, some of the latest papers describe the detection of water in 'protostars', which are stars in the process of being born, and studies of numerous nearby galaxies. "Of course we were confident ISO was going to do very well, but its actual productivity has been far beyond our expectations. The publication rate does not even seem to have peaked yet! We expect many more results," Salama says. Note for editors ISO's data archive contains scientific data from about 30 000 observations. Astronomers from all over the world have downloaded almost eight times the equivalent of the entire scientific archive. As much as 35% of all ISO observations have already been published at least once in prestigious scientific journals. ESA is now preparing to continue its infrared investigation of the Universe. The next generation of infrared space observatories is already in the pipeline. ISO is to be followed by the NASA SIRTF observatory to be launched later this year. Then, in 2007, ESA will follow up the pioneering work of ISO with the Herschel Space Observatory, which will become the largest imaging telescope ever put into space. ISO The Infrared Space Observatory (ISO) was launched in 1995 and operated from November that year to May 1998, when it ran out of the coolant needed to keep its detectors working. At the time it was the most sensitive infrared satellite ever launched and made particularly important studies of the dusty regions of the Universe, where visible light telescopes can see nothing. ESA will reopen its examination of the infrared Universe when Herschel is launched in 2007. Herschel Herschel will be the largest space telescope when, in 2007, it is launched on an Ariane-5 rocket, together with ESA’s cosmology mission, Planck. Herschel’s 3.5-metre diameter mirror will collect longwave infrared radiation from some of the coolest and most distant objects in the Universe. These include forming stars and galaxies.

Cloning SU8 silicon masters using epoxy resins to increase feature replicability and production for cell culture devices.

PubMed

Kamande, J W; Wang, Y; Taylor, A M

2015-05-01

In recent years, there has been a dramatic increase in the use of poly(dimethylsiloxane) (PDMS) devices for cell-based studies. Commonly, the negative tone photoresist, SU8, is used to pattern features onto silicon wafers to create masters (SU8-Si) for PDMS replica molding. However, the complexity in the fabrication process, low feature reproducibility (master-to-master variability), silane toxicity, and short life span of these masters have been deterrents for using SU8-Si masters for the production of cell culture based PDMS microfluidic devices. While other techniques have demonstrated the ability to generate multiple devices from a single master, they often do not match the high feature resolution (∼0.1 μm) and low surface roughness that soft lithography masters offer. In this work, we developed a method to fabricate epoxy-based masters that allows for the replication of features with high fidelity directly from SU8-Si masters via their PDMS replicas. By this method, we show that we could obtain many epoxy based masters with equivalent features to a single SU8-Si master with a low feature variance of 1.54%. Favorable feature transfer resolutions were also obtained by using an appropriate Tg epoxy based system to ensure minimal shrinkage of features ranging in size from ∼100 μm to <10 μm in height. We further show that surface coating epoxy masters with Cr/Au lead to effective demolding and yield PDMS chambers that are suitable for long-term culturing of sensitive primary hippocampal neurons. Finally, we incorporated pillars within the Au-epoxy masters to eliminate the process of punching media reservoirs and thereby reducing substantial artefacts and wastage.

Cloning SU8 silicon masters using epoxy resins to increase feature replicability and production for cell culture devices

PubMed Central

Kamande, J. W.; Wang, Y.; Taylor, A. M.

2015-01-01

In recent years, there has been a dramatic increase in the use of poly(dimethylsiloxane) (PDMS) devices for cell-based studies. Commonly, the negative tone photoresist, SU8, is used to pattern features onto silicon wafers to create masters (SU8-Si) for PDMS replica molding. However, the complexity in the fabrication process, low feature reproducibility (master-to-master variability), silane toxicity, and short life span of these masters have been deterrents for using SU8-Si masters for the production of cell culture based PDMS microfluidic devices. While other techniques have demonstrated the ability to generate multiple devices from a single master, they often do not match the high feature resolution (∼0.1 μm) and low surface roughness that soft lithography masters offer. In this work, we developed a method to fabricate epoxy-based masters that allows for the replication of features with high fidelity directly from SU8-Si masters via their PDMS replicas. By this method, we show that we could obtain many epoxy based masters with equivalent features to a single SU8-Si master with a low feature variance of 1.54%. Favorable feature transfer resolutions were also obtained by using an appropriate Tg epoxy based system to ensure minimal shrinkage of features ranging in size from ∼100 μm to <10 μm in height. We further show that surface coating epoxy masters with Cr/Au lead to effective demolding and yield PDMS chambers that are suitable for long-term culturing of sensitive primary hippocampal neurons. Finally, we incorporated pillars within the Au-epoxy masters to eliminate the process of punching media reservoirs and thereby reducing substantial artefacts and wastage. PMID:26180572

Exact exchange plane-wave-pseudopotential calculations for slabs: Extending the width of the vacuum

NASA Astrophysics Data System (ADS)

Engel, Eberhard

2018-04-01

Standard plane-wave pseudopotential (PWPP) calculations for slabs such as graphene become extremely demanding, as soon as the exact exchange (EXX) of density functional theory is applied. Even if the Krieger-Li-Iafrate (KLI) approximation for the EXX potential is utilized, such EXX-PWPP calculations suffer from the fact that an accurate representation of the occupied states throughout the complete vacuum between the replicas of the slab is required. In this contribution, a robust and efficient extension scheme for the PWPP states is introduced, which ensures the correct exponential decay of the slab states in the vacuum for standard cutoff energies and therefore facilitates EXX-PWPP calculations for very wide vacua and rather thick slabs. Using this scheme, it is explicitly verified that the Slater component of the EXX/KLI potential decays as -1 /z over an extended region sufficiently far from the surface (assumed to be perpendicular to the z direction) and from the middle of the vacuum, thus reproducing the asymptotic behavior of the exact EXX potential of a single slab. The calculations also reveal that the orbital-shift component of the EXX/KLI potential is quite sizable in the asymptotic region. In spite of the long-range exchange potential, the replicas of the slab decouple rather quickly with increasing width of the vacuum. Relying on the identity of the work function with the Fermi energy obtained with a suitably normalized total potential, the present EXX/KLI calculations predict work functions for both graphene and the Si(111) surface which are substantially larger than the corresponding experimental data. Together with the size of the orbital-shift potential in the asymptotic region, the very large EXX/KLI work functions indicate a failure of the KLI approximation for nonmetallic slabs.

Nearly temperature-independent ultraviolet light emission intensity of indirect excitons in hexagonal BN microcrystals

NASA Astrophysics Data System (ADS)

Chichibu, Shigefusa F.; Ishikawa, Youichi; Kominami, Hiroko; Hara, Kazuhiko

2018-02-01

The radiative performance of hexagonal boron nitride (h-BN) was assessed by the spatio-time-resolved luminescence measurements on its microcrystals (MCs) annealed in an O2 gas ambient. The MCs exhibited distinct deep ultraviolet luminescence peaks higher than 5.7 eV, although h-BN is an indirect bandgap semiconductor. The result indicates a strong interaction between the indirect excitons (iXs) and LO/TO (and LA/TA) phonons at T points of the Brillouin zone. Such phonon replicas of free iXs and a luminescence band at 4.0 eV showed negligible thermal quenching, most probably assisted by the strong excitonic effect, enhanced phonon scattering, and formation of a surface BxOy layer that prevents excitons from surface recombination by the thermal excitation. Conversely, the luminescence band between 5.1 and 5.7 eV, which seems to consist of LO/TO phonon replicas of iXs localized at a certain structural singularity that are further scattered by multiple TO phonons at K points and another two emission peaks that originate from the singularity, showed the thermal quenching. In analogy with GaN and AlGaN, cation vacancy complexes most likely act as native nonradiative recombination centers (NRCs). In the present case, vacancy complexes that contain a boron vacancy (VB), such as divacancies with a nitrogen vacancy (VN), VBVN, are certain to act as NRCs. In this instance, iXs delocalized from the singularity are likely either captured by NRCs or the origin of the 4.0 eV-band; the latter is assigned to originate from a carbon on the N site or a complex between VB and an oxygen on the N site.

Measuring the Permittivity of the Nucleus of a Comet: the PP-SESAME Experiment on Board the Philae/ROSETTA Lander

NASA Astrophysics Data System (ADS)

Lethuillier, A.; Le Gall, A. A.; Hamelin, M.; Ciarletti, V.; Caujolle-Bert, S.; Schmidt, W.; Grard, R.; Seidensticker, K. J.; Fischer, H. H.

2015-12-01

The Permittivity Probe (SESAME-PP) on-board the Philae Lander of the ROSETTA mission was designed to constrain the complex permittivity of the first 2 m of the nucleus of comet 67P/Churyumov-Gerasimenko and to monitor its variations with time. Doing so, it is meant to provide a unique insight into the composition of the comet, and in particular, into its water content. PP-SESAME acquired data on November 13, 2015, both during Philae descent to the comet and at the surface of the nucleus. The PP-SESAME instrument is derived from the quadrupole array technique. A sinusoidal electrical current is sent into the ground through a transmitting dipole, and the induced electrical voltage on a receiving dipole is measured. The complex permittivity of the material is inferred from the mutual impedance derived from the measurements. In practice, the influence of both the electronic circuit of the instrument and the conducting elements in its close environment must be accounted for in order to best estimate both the dielectric constant and electrical conductivity of the ground. For that purpose, we have developed a method called the "capacity-influence matrix method". A replica of the instrument was recently built in LATMOS (France) in order to validate this method. In this paper, we will present the tests conducted with the replica in a controlled environment and their comparison to numerical simulations. We will also show simulations relevant to the PP-SESAME experiment on the nucleus of comet 67P/Churyumov-Gerasimenko. These simulations were run for realistic scenarios of the Philae's attitude and environment at its final landing site. We discuss their implications in terms of surface electrical and compositional properties.

Atlantic City, New Jersey, Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F.

DTIC Science & Technology

1981-11-23

1.2 1.0 2.5 9.5 SE 1.2 o6 .1 ,1 2.1 6*5 ___- 3 2.1 ISO 3. 9*7 S7 7 3,0 593 1.5 .1 IC.6 I 1 2 ssw Aa6 1.9 1.2 W 4.1 11.C sw 1.9 1.5 ,4 3.8 _12_, L Sw...1.8 9.5 *8 2 9 4a0 __ _ . I 11s5 .1 .7 1.3 ., .1, 2.4 8.4 SE 1.0 1.5 .7 .3 2 8.2 -Smt o1 Ib 1s9 IS$ 03 4.7 10.5 - s el .6 2.2jL 3.8 ISO 7. 6 1.8a SSW a...LL .I 5.7 5*S NmW .6 5.6 ISO 63 7o4* 5*4 VAUmL CALM 23.0 r-1 1 ,1.9 126.1 A’m I&. 0 . . TOTAL NUMn OF oUIVATONS 720 USAFETAC P 0.8.5 (OL-A) mvious

Gaetbulibacter marinus sp. nov., isolated from coastal seawater, and emended description of the genus Gaetbulibacter.

PubMed

Yang, Seung-Jo; Cho, Jang-Cheon

2008-02-01

A Gram-negative, yellow-coloured, chemoheterotrophic, non-motile, strictly aerobic, rod-shaped bacterium, designated IMCC1914(T), was isolated from coastal surface seawater of the Yellow Sea, Korea. The temperature, pH and NaCl ranges for growth were 3-37 degrees C, pH 8.0-11.0 and 0.5-4.0 %. The DNA G+C content of the strain was 38.1 mol% and the major cellular fatty acids were iso-C(15 : 1) (32.1 %), iso-C(15 : 0) (20.6 %) and iso-C(17 : 0) 3-OH (7.8 %). Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain IMCC1914(T) was related most closely to Gaetbulibacter saemankumensis SMK-12(T), with a sequence similarity of 96.2 %. On the basis of phylogenetic data and several distinct phenotypic characteristics, strain IMCC1914(T) (=KCCM 42380(T) =NBRC 102040(T)) could be assigned to the genus Gaetbulibacter as the type strain of a novel species, for which the name Gaetbulibacter marinus sp. nov. is proposed. In addition, an emended description of the genus Gaetbulibacter is presented.

Comparison of polymerase chain reaction methods and plating for analysis of enriched cultures of Listeria monocytogenes when using the ISO11290-1 method.

PubMed

Dalmasso, Marion; Bolocan, Andrei Sorin; Hernandez, Marta; Kapetanakou, Anastasia E; Kuchta, Tomáš; Manios, Stavros G; Melero, Beatriz; Minarovičová, Jana; Muhterem, Meryem; Nicolau, Anca Ioana; Rovira, Jordi; Skandamis, Panagiotis N; Stessl, Beatrix; Wagner, Martin; Jordan, Kieran; Rodríguez-Lázaro, David

2014-03-01

Analysis for Listeria monocytogenes by ISO11290-1 is time-consuming, entailing two enrichment steps and subsequent plating on agar plates, taking five days without isolate confirmation. The aim of this study was to determine if a polymerase chain reaction (PCR) assay could be used for analysis of the first and second enrichment broths, saving four or two days, respectively. In a comprehensive approach involving six European laboratories, PCR and traditional plating of both enrichment broths from the ISO11290-1 method were compared for the detection of L. monocytogenes in 872 food, raw material and processing environment samples from 13 different dairy and meat food chains. After the first and second enrichments, total DNA was extracted from the enriched cultures and analysed for the presence of L. monocytogenes DNA by PCR. DNA extraction by chaotropic solid-phase extraction (spin column-based silica) combined with real-time PCR (RTi-PCR) was required as it was shown that crude DNA extraction applying sonication lysis and boiling followed by traditional gel-based PCR resulted in fewer positive results than plating. The RTi-PCR results were compared to plating, as defined by the ISO11290-1 method. For first and second enrichments, 90% of the samples gave the same results by RTi-PCR and plating, whatever the RTi-PCR method used. For the samples that gave different results, plating was significantly more accurate for detection of positive samples than RTi-PCR from the first enrichment, but RTi-PCR detected a greater number of positive samples than plating from the second enrichment, regardless of the RTi-PCR method used. RTi-PCR was more accurate for non-food contact surface and food contact surface samples than for food and raw material samples especially from the first enrichment, probably because of sample matrix interference. Even though RTi-PCR analysis of the first enrichment showed less positive results than plating, in outbreak scenarios where a rapid result is required, RTi-PCR could be an efficient way to get a preliminary result to be then confirmed by plating. Using DNA extraction from the second enrichment broth followed by RTi-PCR was reliable and a confirmed result could be obtained in three days, as against seven days by ISO11290-1. Copyright © 2014 Elsevier B.V. All rights reserved.

Enhancing Technology Education Students' Understanding of ISO 9000.

ERIC Educational Resources Information Center

Harding, Kerry A.; Tesolowski, Dennis G.; Simmons, J. Bryan

2000-01-01

Defines ISO 9000, the quality control standard of the International Organization for Standardization (ISO), and looks at the benefits of ISO certification. Looks at the four levels of ISO 9000 and discusses the construction of training courses to prepare ISO documentation. (JOW)

Effect of LCZ696, a dual angiotensin receptor neprilysin inhibitor, on isoproterenol-induced cardiac hypertrophy, fibrosis, and hemodynamic change in rats.

PubMed

Miyoshi, Toru; Nakamura, Kazufumi; Miura, Daiji; Yoshida, Masashi; Saito, Yukihiro; Akagi, Satoshi; Ohno, Yuko; Kondo, Megumi; Ito, Hiroshi

2018-05-02

Recent clinical studies have shown that treatment with LCZ696, a complex containing the angiotensin receptor blocker valsartan and neprilysin inhibitor sacubitril, improves the prognosis of heart failure patients with a reduced ejection fraction. This study evaluated whether LCZ696 affects left ventricular hypertrophy, fibrosis, and hemodynamics in isoproterenol (ISO)-treated rats compared with valsartan alone. Male Wistar rats received subcutaneous saline (n = 10), subcutaneous ISO (2.4 mg/kg/day; n = 10), subcutaneous ISO + oral LCZ696 (60 mg/kg/day; n = 20) (ISO-LCZ), or subcutaneous ISO + oral valsartan (30 mg/kg/day; n = 20) (ISO-VAL) for 7 days. LCZ696 and valsartan did not significantly reduce the increased heart weight/body weight ratio in rats treated with ISO. Echocardiography showed that the deceleration time shortened by ISO was restored by LCZ696 but not valsartan alone (p = 0.01 vs. the ISO group). Histological analysis showed that cardiac interstitial fibrosis increased by ISO was decreased significantly by LCZ696 but not valsartan alone (control: 0.10 ± 0.14%; ISO: 0.41 ± 0.32%; ISO-LCZ: 0.19 ± 0.23% [p < 0.01 vs. the ISO group]; ISO-VAL: 0.34 ± 0.23% [p = 0.34 vs. the ISO group]). Quantitative PCR showed that mRNA expression of Tgfb1, Col1a1, Ccl2, and Anp increased by ISO was significantly attenuated by LCZ696 but not valsartan alone (p < 0.05 vs. the ISO group). LCZ696 improves cardiac fibrosis, but not hypertrophy, caused by continuous exposure to ISO in rats.

Automated map sharpening by maximization of detail and connectivity

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

Terwilliger, Thomas C.; Sobolev, Oleg V.; Afonine, Pavel V.

An algorithm for automatic map sharpening is presented that is based on optimization of the detail and connectivity of the sharpened map. The detail in the map is reflected in the surface area of an iso-contour surface that contains a fixed fraction of the volume of the map, where a map with high level of detail has a high surface area. The connectivity of the sharpened map is reflected in the number of connected regions defined by the same iso-contour surfaces, where a map with high connectivity has a small number of connected regions. By combining these two measures inmore » a metric termed the `adjusted surface area', map quality can be evaluated in an automated fashion. This metric was used to choose optimal map-sharpening parameters without reference to a model or other interpretations of the map. Map sharpening by optimization of the adjusted surface area can be carried out for a map as a whole or it can be carried out locally, yielding a locally sharpened map. To evaluate the performance of various approaches, a simple metric based on map–model correlation that can reproduce visual choices of optimally sharpened maps was used. The map–model correlation is calculated using a model withBfactors (atomic displacement factors; ADPs) set to zero. Finally, this model-based metric was used to evaluate map sharpening and to evaluate map-sharpening approaches, and it was found that optimization of the adjusted surface area can be an effective tool for map sharpening.« less

Automated map sharpening by maximization of detail and connectivity

DOE PAGES

Terwilliger, Thomas C.; Sobolev, Oleg V.; Afonine, Pavel V.; ...

2018-05-18

An algorithm for automatic map sharpening is presented that is based on optimization of the detail and connectivity of the sharpened map. The detail in the map is reflected in the surface area of an iso-contour surface that contains a fixed fraction of the volume of the map, where a map with high level of detail has a high surface area. The connectivity of the sharpened map is reflected in the number of connected regions defined by the same iso-contour surfaces, where a map with high connectivity has a small number of connected regions. By combining these two measures inmore » a metric termed the `adjusted surface area', map quality can be evaluated in an automated fashion. This metric was used to choose optimal map-sharpening parameters without reference to a model or other interpretations of the map. Map sharpening by optimization of the adjusted surface area can be carried out for a map as a whole or it can be carried out locally, yielding a locally sharpened map. To evaluate the performance of various approaches, a simple metric based on map–model correlation that can reproduce visual choices of optimally sharpened maps was used. The map–model correlation is calculated using a model withBfactors (atomic displacement factors; ADPs) set to zero. Finally, this model-based metric was used to evaluate map sharpening and to evaluate map-sharpening approaches, and it was found that optimization of the adjusted surface area can be an effective tool for map sharpening.« less

Effect of surface chemical composition on the surface potential and iso-electric point of silicon substrates modified with self-assembled monolayers.

PubMed

Kuo, Che-Hung; Chang, Hsun-Yun; Liu, Chi-Ping; Lee, Szu-Hsian; You, Yun-Wen; Shyue, Jing-Jong

2011-03-07

Self-assembled monolayer (SAM)-modified nano-materials are a new technology to deliver drug molecules. While the majority of these depend on covalently immobilizing molecules on the surface, it is proposed that electrostatic interactions may be used to deliver drugs. By tuning the surface potential of solid substrates with SAMs, drug molecules could be either absorbed on or desorbed from substrates through the difference in electrostatic interactions around the selected iso-electric point (IEP). In this work, the surface of silicon substrates was tailored with various ratios of 3-aminopropyltrimethoxysilane (APTMS) and 3-mercaptopropyltrimethoxysilane (MPTMS), which form amine- and thiol-bearing SAMs, respectively. The ratio of the functional groups on the silicon surface was quantified by X-ray photoelectron spectrometry (XPS); in general, the deposition kinetics of APTMS were found to be faster than those of MPTMS. Furthermore, for solutions with high MPTMS concentrations, the relative deposition rate of APTMS increased dramatically due to the acid-base reaction in the solution and subsequent electrostatic interactions between the molecules and the substrate. The zeta potential in aqueous electrolytes was determined with an electro-kinetic analyzer. By depositing SAMs of binary functional groups in varied ratios, the surface potential and IEP of silicon substrates could be fine-tuned. For <50% amine concentration in SAMs, the IEP changed linearly with the chemical composition from <2 to 7.18. For higher amine concentrations, the IEP slowly increased with concentration to 7.94 because the formation of hydrogen-bonding suppressed the subsequent protonation of amines.

Analyzing Cases of Resilience Success and Failure - A Research Study

DTIC Science & Technology

2012-12-01

controls [NIST 2012, NIST 2008] ISO 27002 and ISO 27004 Guidelines for initiating, implementing, maintaining, and improving information security...Commission ( ISO /IEC). Information technology—Security techniques—Code of practice for information security management ( ISO /IEC 27002 :2005). ISO /IEC, 2005...security management system and controls or groups of controls [ ISO /IEC 2005, ISO /IEC 2009] CIS Security Metrics Outcome and practice metrics measuring

Research of Surface Roughness Anisotropy

NASA Astrophysics Data System (ADS)

Bulaha, N.; Rudzitis, J.; Lungevics, J.; Linins, O.; Krizbergs, J.

2017-04-01

The authors of the paper have investigated surfaces with irregular roughness for the purpose of determination of roughness spacing parameters perpendicularly to machining traces - RSm1 and parallel to them - RSm2, as well as checking the relationship between the surface anisotropy coefficient c and surface aspect ratio Str from the standard LVS EN ISO 25178-2. Surface roughness measurement experiments with 11 surfaces show that measuring equipment values of mean spacing of profile irregularities in the longitudinal direction are not reliable due to the divergence of surface mean plane and roughness profile mean line. After the additional calculations it was stated that parameter Str can be used for determination of parameter RSm2 and roughness anisotropy evaluation for grinded, polished, friction surfaces and other surfaces with similar characteristics.

Template-mediated, Hierarchical Engineering of Ordered Mesoporous Films and Powders

NASA Astrophysics Data System (ADS)

Tian, Zheng

Hierarchical control over pore size, pore topology, and meso/mictrostructure as well as material morphology (e.g., powders, monoliths, thin films) is crucial for meeting diverse materials needs among applications spanning next generation catalysts, sensors, batteries, sorbents, etc. The overarching goal of this thesis is to establish fundamental mechanistic insight enabling new strategies for realizing such hierarchical textural control for carbon materials that is not currently achievable with sacrificial pore formation by 'one-pot' surfactant-based 'soft'-templating or multi-step inorganic 'hard-templating. While 'hard'-templating is often tacitly discounted based upon its perceived complexity, it offers potential for overcoming key 'soft'-templating challenges, including bolstering pore stability, accommodating a more versatile palette of replica precursors, realizing ordered/spanning porosity in the case of porous thin films, simplifying formation of bi-continuous pore topologies, and inducing microstructure control within porous replica materials. In this thesis, we establish strategies for hard-templating of hierarchically porous and structured carbon powders and tunable thin films by both multi-step hard-templating and a new 'one-pot' template-replica precursor co-assembly process. We first develop a nominal hard-templating technique to successfully prepare three-dimensionally ordered mesoporous (3DOm) and 3DOm-supported microporous carbon thin films by exploiting our ability to synthesize and assemble size-tunable silica nanoparticles into scalable, colloidal crystalline thin film templates of tunable mono- to multi-layer thickness. This robust thin film template accommodates liquid and/or vapor-phase infiltration, polymerization, and pyrolysis of various carbon sources without pore contraction and/or collapse upon template sacrifice. The result is robust, flexible 3DOm or 3DOm-supported ultra-thin microporous films that can be transferred by stamp techniques to various substrates for low-cost counter-electrodes in dye-sensitized solar cells, as we demonstrate, or as potential high-flux membranes for molecular separations. Inspired by 'one-pot' 'soft'-templating approaches, wherein the pore forming agent and replica precursor are co-assembled, we establish how 'hard'-templating can be carried out in an analogous fashion. Namely, we show how pre-formed silica nanoparticles can be co-assembled from aqueous solutions with a carbon source (glucose), leading to elucidation of a pseudo-phase behavior in which we identify an operating window for synthesis of hierarchically bi-continuous carbon films. Systematic study of the association of carbon precursors with the silica particles in combination with transient coating experiments reveals mechanistic insight into how silica-adsorbed carbon precursor modulates particle assembly and ultimately controls template particle d-spacing. We uncover a critical d-spacing defining the boundary between ordered and disordered mesoporosity within the resulting films. We ultimately extend this thin-film mechanistic insight to realize 'one'-pot, bi-continuous 3DOm carbon powders. Through a combination of X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and high-resolution transmission electron microscopy (HR-TEM), we elucidate novel synthesis-structure relations for template-mediated microstructuring of the 3DOm replica carbons. Attractive properties of the resulting bi-continuous porous carbons for applications, for example, as novel electrodes, include high surface areas, large mesopore volumes, and tunable graphitic content (i.e. >50%) and character. We specifically demonstrate their performance, in thin film form, as counter-electrodes in dye-sensitized solar cells. We also demonstrate how they can be exploited in powder form as high-performance supercapacitor electrodes exhibiting attractive retention and absolute capacitance. We conclude the thesis by demonstrating the versatility of both the thin-film and powder templating processes developed herein, for realizing ordered binary colloidal crystal templates and their bi-modal porous carbon replica films, expanding compositional diversity of the 'one-pot' thin film process beyond carbons to include an example of 3DOm ZrO2 films, and employing the hard-templating process as a strategy for realizing 3DOm carbon-supported nanocarbides.

Survey of Cyber Moving Target Techniques

DTIC Science & Technology

2013-09-25

Description: Details: The authors propose a very simple form of multivariant execution with two replicas where one replica runs with the stack growing ...upwards and the other runs with the stack growing down. Normally any single architecture only supports the stack growing in one direction, but the...April 2012. 8. “The NX Bit and ASLR,” Tom’s Hardware, 25 March 2009. 9. “Pwn2Own day 2: iPhone, BlackBerry beaten; Chrome, Firefox no-shows,” Ars

KENNEDY SPACE CENTER, FLA. - The Rocket Garden at the KSC Visitor Complex features eight authentic rockets from the past, including a Mercury-Atlas rocket. The garden also features a climb-in Mercury, Gemino and Apollo capsule replicas, seating pods and informative graphic elements.

NASA Image and Video Library

2003-07-22

KENNEDY SPACE CENTER, FLA. - The Rocket Garden at the KSC Visitor Complex features eight authentic rockets from the past, including a Mercury-Atlas rocket. The garden also features a climb-in Mercury, Gemino and Apollo capsule replicas, seating pods and informative graphic elements.

[Efficiencies of contamination source for flooring and some materials used in unencapsulated radioactivity handling facilities].

PubMed

Yoshida, M; Yoshizawa, M; Minami, K

1990-09-01

The efficiencies of contamination source, defined in ISO Report 7506-1, were experimentally determined for such materials as flooring, polyethylene, smear-tested filter paper and stainless steel plate. 5 nuclides of 147Pm, 60Co, 137Cs, 204Tl and 90Sr-Y were used to study beta-ray energy dependence of the efficiency, and 241Am as alpha-ray emitter. The charge-up effect in the measurement by a window-less 2 pi-proportional counter was evaluated to obtain reliable surface emission rate. The measured efficiencies for non-permeable materials, except for two cases, are more than 0.5 even for 147Pm. The ISO recommendations were shown to be conservative enough on the basis of present results.

3D printed replicas for endodontic education.

PubMed

Reymus, M; Fotiadou, C; Kessler, A; Heck, K; Hickel, R; Diegritz, C

2018-06-14

To assess the feasibility of producing artificial teeth for endodontic training using 3D printing technology, to analyse the accuracy of the printing process, and to evaluate the teeth by students when used during training. Sound extracted human teeth were selected, digitalized by cone beam computed tomography (CBCT) and appropriate software and finally reproduced by a stereolithographic printer. The printed teeth were scanned and compared with the original ones (trueness) and to one another (precision). Undergraduate dental students in the third and fourth years performed root canal treatment on printed molars and were subsequently asked to evaluate their experience with these compared to real teeth. The workflow was feasible for manufacturing 3D printed tooth replicas. The absolute deviation after printing (trueness) ranged from 50.9μm to 104.3μm. The values for precision ranged from 43.5μm to 68.2μm. Students reported great benefits in the use of the replicated teeth for training purposes. The presented workflow is feasible for any dental educational institution who has access to a CBCT unit and a stereolithographic printer. The accuracy of the printing process is suitable for the production of tooth replicas for endodontic training. Undergraduate students favoured the availability of these replicas and the fairness they ensured in training due to standardization. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

A polymeric master replication technology for mass fabrication of poly(dimethylsiloxane) microfluidic devices.

PubMed

Li, Hai-Fang; Lin, Jin-Ming; Su, Rong-Guo; Cai, Zong Wei; Uchiyama, Katsumi

2005-05-01

A protocol of producing multiple polymeric masters from an original glass master mold has been developed, which enables the production of multiple poly(dimethylsiloxane) (PDMS)-based microfluidic devices in a low-cost and efficient manner. Standard wet-etching techniques were used to fabricate an original glass master with negative features, from which more than 50 polymethylmethacrylate (PMMA) positive replica masters were rapidly created using the thermal printing technique. The time to replicate each PMMA master was as short as 20 min. The PMMA replica masters have excellent structural features and could be used to cast PDMS devices for many times. An integration geometry designed for laser-induced fluorescence (LIF) detection, which contains normal deep microfluidic channels and a much deeper optical fiber channel, was successfully transferred into PDMS devices. The positive relief on seven PMMA replica masters is replicated with regard to the negative original glass master, with a depth average variation of 0.89% for 26-microm deep microfluidic channels and 1.16% for the 90 mum deep fiber channel. The imprinted positive relief in PMMA from master-to-master is reproducible with relative standard deviations (RSDs) of 1.06% for the maximum width and 0.46% for depth in terms of the separation channel. The PDMS devices fabricated from the PMMA replica masters were characterized and applied to the separation of a fluorescein isothiocyanate (FITC)-labeled epinephrine sample.

Verification of a computer-aided replica technique for evaluating prosthesis adaptation using statistical agreement analysis.

PubMed

Mai, Hang-Nga; Lee, Kyeong Eun; Lee, Kyu-Bok; Jeong, Seung-Mi; Lee, Seok-Jae; Lee, Cheong-Hee; An, Seo-Young; Lee, Du-Hyeong

2017-10-01

The purpose of this study was to evaluate the reliability of computer-aided replica technique (CART) by calculating its agreement with the replica technique (RT), using statistical agreement analysis. A prepared metal die and a metal crown were fabricated. The gap between the restoration and abutment was replicated using silicone indicator paste (n = 25). Gap measurements differed in the control (RT) and experimental (CART) groups. In the RT group, the silicone replica was manually sectioned, and the marginal and occlusal gaps were measured using a microscope. In the CART group, the gap was digitized using optical scanning and image superimposition, and the gaps were measured using a software program. The agreement between the measurement techniques was evaluated by using the 95% Bland-Altman limits of agreement and concordance correlation coefficients (CCC). The least acceptable CCC was 0.90. The RT and CART groups showed linear association, with a strong positive correlation in gap measurements, but without significant differences. The 95% limits of agreement between the paired gap measurements were 3.84% and 7.08% of the mean. The lower 95% confidence limits of CCC were 0.9676 and 0.9188 for the marginal and occlusal gap measurements, respectively, and the values were greater than the allowed limit. The CART is a reliable digital approach for evaluating the fit accuracy of fixed dental prostheses.

Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method.

PubMed

Lu, Qing; Kim, Jaegil; Straub, John E

2013-03-14

The generalized Replica Exchange Method (gREM) is extended into the isobaric-isothermal ensemble, and applied to simulate a vapor-liquid phase transition in Lennard-Jones fluids. Merging an optimally designed generalized ensemble sampling with replica exchange, gREM is particularly well suited for the effective simulation of first-order phase transitions characterized by "backbending" in the statistical temperature. While the metastable and unstable states in the vicinity of the first-order phase transition are masked by the enthalpy gap in temperature replica exchange method simulations, they are transformed into stable states through the parameterized effective sampling weights in gREM simulations, and join vapor and liquid phases with a succession of unimodal enthalpy distributions. The enhanced sampling across metastable and unstable states is achieved without the need to identify a "good" order parameter for biased sampling. We performed gREM simulations at various pressures below and near the critical pressure to examine the change in behavior of the vapor-liquid phase transition at different pressures. We observed a crossover from the first-order phase transition at low pressure, characterized by the backbending in the statistical temperature and the "kink" in the Gibbs free energy, to a continuous second-order phase transition near the critical pressure. The controlling mechanisms of nucleation and continuous phase transition are evident and the coexistence properties and phase diagram are found in agreement with literature results.

Classical mutual information in mean-field spin glass models

NASA Astrophysics Data System (ADS)

Alba, Vincenzo; Inglis, Stephen; Pollet, Lode

2016-03-01

We investigate the classical Rényi entropy Sn and the associated mutual information In in the Sherrington-Kirkpatrick (S-K) model, which is the paradigm model of mean-field spin glasses. Using classical Monte Carlo simulations and analytical tools we investigate the S-K model in the n -sheet booklet. This is achieved by gluing together n independent copies of the model, and it is the main ingredient for constructing the Rényi entanglement-related quantities. We find a glassy phase at low temperatures, whereas at high temperatures the model exhibits paramagnetic behavior, consistent with the regular S-K model. The temperature of the paramagnetic-glassy transition depends nontrivially on the geometry of the booklet. At high temperatures we provide the exact solution of the model by exploiting the replica symmetry. This is the permutation symmetry among the fictitious replicas that are used to perform disorder averages (via the replica trick). In the glassy phase the replica symmetry has to be broken. Using a generalization of the Parisi solution, we provide analytical results for Sn and In and for standard thermodynamic quantities. Both Sn and In exhibit a volume law in the whole phase diagram. We characterize the behavior of the corresponding densities, Sn/N and In/N , in the thermodynamic limit. Interestingly, at the critical point the mutual information does not exhibit any crossing for different system sizes, in contrast with local spin models.

49 CFR 178.708 - Standards for fiberboard IBCs.

Code of Federal Regulations, 2013 CFR

2013-10-01

...) Construction requirements for fiberboard IBCs are as follows: (1) Top lifting devices are prohibited in... foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171.7 of this subchapter). (ii.... Where a detachable pallet is used, its top surface must be free from sharp protrusions that might damage...

49 CFR 178.708 - Standards for fiberboard IBCs.

Code of Federal Regulations, 2011 CFR

2011-10-01

...) Construction requirements for fiberboard IBCs are as follows: (1) Top lifting devices are prohibited in... foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171.7 of this subchapter). (ii.... Where a detachable pallet is used, its top surface must be free from sharp protrusions that might damage...

49 CFR 178.708 - Standards for fiberboard IBCs.

Code of Federal Regulations, 2014 CFR

2014-10-01

...) Construction requirements for fiberboard IBCs are as follows: (1) Top lifting devices are prohibited in... foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171.7 of this subchapter). (ii.... Where a detachable pallet is used, its top surface must be free from sharp protrusions that might damage...

49 CFR 178.708 - Standards for fiberboard IBCs.

Code of Federal Regulations, 2012 CFR

2012-10-01

...) Construction requirements for fiberboard IBCs are as follows: (1) Top lifting devices are prohibited in... foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171.7 of this subchapter). (ii.... Where a detachable pallet is used, its top surface must be free from sharp protrusions that might damage...

21 CFR 184.1165 - n-Butane and iso-butane.

Code of Federal Regulations, 2013 CFR

2013-04-01

..., flammable gases at normal temperatures and pressures. They are easily liquefied under pressure at room... fractionation following absorption in oil, adsorption to surface-active agents, or refrigeration. (b) The... used as propellants, aerating agents, and gases as defined in § 170.3(o)(25) of this chapter. (2) The...

21 CFR 184.1165 - n-Butane and iso-butane.

Code of Federal Regulations, 2012 CFR

2012-04-01

..., flammable gases at normal temperatures and pressures. They are easily liquefied under pressure at room... fractionation following absorption in oil, adsorption to surface-active agents, or refrigeration. (b) The... used as propellants, aerating agents, and gases as defined in § 170.3(o)(25) of this chapter. (2) The...

21 CFR 184.1165 - n-Butane and iso-butane.

Code of Federal Regulations, 2014 CFR

2014-04-01

.... Nos. 106-97-8 and 75-28-5, respectively) are colorless, flammable gases at normal temperatures and..., adsorption to surface-active agents, or refrigeration. (b) The ingredients must be of a purity suitable for... manufacturing practice conditions of use: (1) The ingredients are used as propellants, aerating agents, and...

Wettability of three Honduran bamboo species

Treesearch

X. B. Li; T.F. Shube; C.Y. Hse

2004-01-01

This study was initiated to determine the wettability of three Honduran bamboo species by contact-angiemeasurements. Static contact angles of urea formaldehyde (UF), phenol formaldehyde (PF), isocyanate (ISO) and distilled water on the bamboo surfaces were measured. The effects of bamboo species, layer (outer, middle and inner) and chemical treatment (hydrochloric acid...

Coalition Network Defence Common Operational Picture

DTIC Science & Technology

2010-11-01

27000 .org/ iso -27005.htm [26] ISO 8601:2004, Data elements and interchange formats - Information interchange - Representation of dates and times, http://ww.iso.org, http://en.wikipedia.org/wiki/ISO_8601 ...Regular_expression [25] ISO /IEC 27005:2008, Information technology -- Security techniques -- Information security risk management, http://ww.iso.org,; http://www

Review of the National Information Assurance Partnership (NIAP)

DTIC Science & Technology

2006-01-01

accreditation is to ensure that laboratories meet the re- quirements of ISO / IEC 17025 :2005, General Requirement for the Competence of Cali- bration and...isoguide2. [ISO1999] ISO / IEC 17025 , General Requirements for the Competence of Testing and Calibration Laboratories, 1999, http://www.iso.ch/ iso ...Protection Profiles and Secu- rity Targets, 2003. [ISO2005] ISO / IEC 17025 , General Requirements for the Competence of Testing and Calibration Laboratories

CERT Resilience Management Model (RMM) v1.1: Code of Practice Crosswalk Commercial Version 1.1

DTIC Science & Technology

2011-10-01

ISO /IEC 24762:2008 (E) 6 2.8 ISO /IEC 27002 :2005 (E) 6 2.9 ISO /IEC 27005:2008 (E) 6 2.10 ISO /IEC 31000:2009 (E) 6 2.11...webstore.ansi.org/. 2.8 ISO /IEC 27002 :2005 (E) ISO /IEC 27002 , “Code of practice for information security management” [ ISO /IEC 2005b], broaches the full...scope of security management, at points touching upon both IT management and disaster recovery. ISO /IEC 27002 is part of a growing “27000

Electrochemical deposition onto self-assembled monolayers: new insights into micro- and nanofabrication.

PubMed

Schilardi, Patricia L; Dip, Patricio; dos Santos Claro, Paula C; Benítez, Guillermo A; Fonticelli, Mariano H; Azzaroni, Omar; Salvarezza, Roberto C

2005-12-16

Pattern transfer with high resolution is a frontier topic in the emerging field of nanotechnologies. Electrochemical molding is a possible route for nanopatterning metal, alloys and oxide surfaces with high resolution in a simple and inexpensive way. This method involves electrodeposition onto a conducting master covered by a self-assembled alkanethiolate monolayer (SAMs). This molecular film enables direct surface-relief pattern transfer from the conducting master to the inner face of the electrodeposit, and also allows an easy release of the electrodeposited film due their excellent anti-adherent properties. Replicas of the original conductive master can be also obtained by a simple two-step procedure. SAM quality and stability under electrodeposition conditions combined with the formation of smooth electrodeposits are crucial to obtain high-quality pattern transfer with sub-50 nm resolution.

Nanoimprinting on optical fiber end faces for chemical sensing

NASA Astrophysics Data System (ADS)

Kostovski, G.; White, D. J.; Mitchell, A.; Austin, M. W.; Stoddart, P. R.

2008-04-01

Optical fiber surface-enhanced Raman scattering (SERS) sensors offer a potential solution to monitoring low chemical concentrations in-situ or in remote sensing scenarios. We demonstrate the use of nanoimprint lithography to fabricate SERS-compatible nanoarrays on the end faces of standard silica optical fibers. The antireflective nanostructure found on cicada wings was used as a convenient template for the nanoarray, as high sensitivity SERS substrates have previously been demonstrated on these surfaces. Coating the high fidelity replicas with silver creates a dense array of regular nanoscale plasmonic resonators. A monolayer of thiophenol was used as a low concentration analyte, from which strong Raman spectra were collected using both direct endface illumination and through-fiber interrogation. This unique combination of nanoscale replication with optical fibers demonstrates a high-resolution, low-cost approach to fabricating high-performance optical fiber chemical sensors.

Biotribological evaluation of artificial disc arthroplasty devices: influence of loading and kinematic patterns during in vitro wear simulation

PubMed Central

Yue, James J.; Garcia, Rolando; Basson, Janet; Schwiesau, Jens; Fritz, Bernhard; Blömer, Wilhelm

2008-01-01

Wear simulation is an essential pre-clinical method to predict the mid- and long-term clinical wear behavior of newly introduced devices for total disc arthroplasty. The main requirement of a suitable method for spinal wear simulation has to be the ability to distinguish between design concepts and allow for a direct comparison of predicate devices. The objective of our study was to investigate the influence of loading and kinematic patterns based on two different protocols for spinal wear simulation (ISO/FDIS 18192-1 (2006) and ASTM F2423-05). In vitro wear simulation was performed with six activ® L lumbar artificial disc devices (Aesculap Tuttlingen, Germany). The applied kinematic pattern of movement was multidirectional for ISO (elliptic track) and unidirectional with a curvilinear shape for ASTM. Testing was done for 10 million cycles in the ISO loading mode and afterwards with the same specimens for 5 million cycles according to the ASTM protocol with a customized six-station servohydraulic spinal wear simulator (EndoLab Thansau, Germany). Gravimetrical and geometrical wear assessment, a slide track analysis correlated to an optical surface characterization, and an estimation of particle size and morphology were performed. The gravimetric wear rate for the first 10 million cycles was ISOinitial = 2.7 ± 0.3 mg/million cycles. During the ASTM test period (10–15 million cycles) a gravimetric wear rate of 0.14 ± 0.06 mg/million cycles was estimated. The wear rates between the ISO and ASTM driven simulations differ substantially (approximately 20-fold) and statistical analysis demonstrates a significant difference (p < 0.001) between the test groups. The main explanation of divergency between ISO and ASTM driven wear simulations is the multidirectional pattern of movement described in the ISO document resulting in a cross-shear stress on the polyethylene material. Due to previous retrieval observations, it seems to be very unlikely that a lumbar artificial disc is loaded with a linear wear path.Testing according to ASTM F2423-05 with pure unidirectional motion does not reflect the kinematics of TDA patients‘ daily activities. Based on our findings it seems to be more reliable to predict the clinical wear behavior of an artificial disc replacement using the ISO/FDIS 18192-1 method. PMID:19050942

Saturn V Dedication

NASA Technical Reports Server (NTRS)

1999-01-01

A replica of the Saturn V rocket that propelled man from the confines of Earth's gravity to the surface of the Moon was built on the grounds of the U. S. Space and Rocket Center in Huntsville, AL. in time for the 30th arniversary celebration of that historic occasion. Marshall Space Flight Center and its team of German rocket scientists headed by Dr. Wernher von Braun were responsible for the design and development of the Saturn V rocket. Pictured are MSFC's current Center Director Art Stephenson, Alabama Congressman Bud Cramer, NASA Administrator Dan Goldin, and director of the U. S. Space and Rocket Center Mike Wing during the dedication ceremony.

Around Marshall

NASA Image and Video Library

1999-07-17

A replica of the Saturn V rocket that propelled man from the confines of Earth's gravity to the surface of the Moon was built on the grounds of the U. S. Space and Rocket Center in Huntsville, AL. in time for the 30th arniversary celebration of that historic occasion. Marshall Space Flight Center and its team of German rocket scientists headed by Dr. Wernher von Braun were responsible for the design and development of the Saturn V rocket. Pictured are MSFC's current Center Director Art Stephenson, Alabama Congressman Bud Cramer, NASA Administrator Dan Goldin, and director of the U. S. Space and Rocket Center Mike Wing during the dedication ceremony.

EUSO@TurLab: An experimental replica of ISS orbits

NASA Astrophysics Data System (ADS)

Bertaina, M.; Bowaire, A.; Cambursano, S.; Caruso, R.; Contino, G.; Cotto, G.; Crivello, F.; Forza, R.; Guardone, N.; Manfrin, M.; Mignone, M.; Mulas, R.; Suino, G.; Tibaldi, P. S.

2015-03-01

The EUSO@TurLab project is an on-going activity aimed to reproduce atmospheric and luminous conditions that JEM-EUSO will encounter on its orbits around the Earth. The use of the TurLab facility, part of the Department of Physics of the University of Torino, allows the simulation of different surface conditions in a very dark and rotating environment in order to test the response of JEM-EUSO's sensors and sensitivity. The experimental setup currently in operation has been used to check the potential of the TurLab facility for the above purposes, and the acquired data will be used to test the concept of JEM-EUSO's trigger system.

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

Carbone, Ludovico; Ciani, Giacomo; Dolesi, Rita

We have measured surface-force noise on a hollow replica of a LISA proof mass surrounded by its capacitive motion sensor. Forces are detected through the torque exerted on the proof mass by means of a torsion pendulum in the 0.1-30 mHz range. The sensor and electronics have the same design as for the flight hardware, including 4 mm gaps around the proof mass. The measured upper limit for forces would allow detection of a number of galactic binaries signals with signal-to-noise ratio up to {approx_equal}40 for 1 yr integration. We also discuss how LISA Pathfinder will substantially improve this limit,more » approaching the LISA performance.« less

Cardioprotective effect of vitamin D2 on isoproterenol-induced myocardial infarction in diabetic rats.

PubMed

El Agaty, Sahar M

2018-03-08

To assess the effect of vitamin D 2 and to elucidate the underlying mechanisms on acute myocardial injury induced by isoproterenol (ISO) in diabetic rats. Rats were divided into control rats, diabetic rats (DM), diabetic rats received ISO (DM-ISO), and diabetic rats pretreated with vitamin D 2 and received ISO (DM-D 2 -ISO). Vitamin D 2 pretreatment significantly decreased fasting glucose and myocardial malondialdehyde, associated with increased insulin, myocardial glutathione and superoxide dismutase in DM-D 2 -ISO versus DM-ISO. The serum triglycerides, total cholesterol, and LDL were significantly decreased, along with increased HDL and adiponectin. Poly-ADP ribose polymerase, cyclooxygenase-2, tumour necrosis factor alpha, interleukin-6, caspase-3, BAX, and p53 were significantly downregulated in myocardium of DM-D 2 -ISO versus DM-ISO. Histological studies showed diminished inflammatory cells infiltration in myocardium of DM-D 2 -ISO versus DM-ISO. Vitamin D 2 ameliorates hyperglycaemia, dyslipidaemia, redox imbalance, inflammatory and apoptotic processes, protecting the myocardium of diabetic rats against acute myocardial infarction.

Synthesis and Biological Activity of 2',3'-iso-Aryl-abscisic Acid Analogs.

PubMed

Wan, Chuan; Wang, Mingan; Yang, Dongyan; Han, Xiaoqiang; Che, Chuanliang; Ding, Shanshan; Xiao, Yumei; Qin, Zhaohai

2017-12-15

2',3'- iso -Benzoabscisic acid ( iso -PhABA), an excellent selective abscisic acid (ABA) analog, was developed in our previous work. In order to find its more structure-activity information, some structural modifications were completed in this paper, including the substitution of phenyl ring and replacing the ring with heterocycles. Thus, 16 novel analogs of iso -PhABA were synthesized and screened with three bioassays, Arabidopsis and lettuce seed germination and rice seedling elongation. Some of them, i.e., 2',3'- iso -pyridoabscisic acid ( iso -PyABA) and 2',3'- iso -franoabscisic acid ( iso -FrABA), displayed good bioactivities that closed to iso -PhABA and natural (+)-ABA. Some others, for instance, substituted- iso -PhABA, exhibited certain selectivity to different physiological process when compared to iso -PhABA or (+)-ABA. These analogs not only provided new candidates of ABA-like synthetic plant growth regulators (PGRs) for practical application, but also new potential selective agonist/antagonist for probing the specific function of ABA receptors.

Launching the chaotic realm of iso-fractals: A short remark

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

O'Schmidt, Nathan; Katebi, Reza; Corda, Christian

In this brief note, we introduce the new, emerging sub-discipline of iso-fractals by highlighting and discussing the preliminary results of recent works. First, we note the abundance of fractal, chaotic, non-linear, and self-similar structures in nature while emphasizing the importance of studying such systems because fractal geometry is the language of chaos. Second, we outline the iso-fractal generalization of the Mandelbrot set to exemplify the newly generated Mandelbrot iso-sets. Third, we present the cutting-edge notion of dynamic iso-spaces and explain how a mathematical space can be iso-topically lifted with iso-unit functions that (continuously or discretely) change; in the discrete casemore » examples, we mention that iteratively generated sequences like Fibonacci’s numbers and (the complex moduli of) Mandelbrot’s numbers can supply a deterministic chain of iso-units to construct an ordered series of (magnified and/or de-magnified) iso-spaces that are locally iso-morphic. Fourth, we consider the initiation of iso-fractals with Inopin’s holographic ring (IHR) topology and fractional statistics for 2D and 3D iso-spaces. In total, the reviewed iso-fractal results are a significant improvement over traditional fractals because the application of Santilli’s iso-mathematics arms us an extra degree of freedom for attacking problems in chaos. Finally, we conclude by proposing some questions and ideas for future research work.« less

Replicas of Snoopy and Charlie Brown decorate top of console in MCC

NASA Technical Reports Server (NTRS)

1969-01-01

Replicas of Snoopy and Charlie Brown, the two characters from Charles Schulz's syndicated comic strip 'Peanuts', decorate the top of a console in the Mission Operations Control Room in the Mission Control Center, bldg 30, on the first day of the Apollo 10 lunar orbit mission. During the Apollo 10 lunar orbit operations the Lunar Module will be called Snoopy when it is separated from the Command/Service Modules. The code words for the Command Module will be Charlie Brown.

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

Kato, Go

We consider the situation where s replicas of a qubit with an unknown state and its orthogonal k replicas are given as an input, and we try to make c clones of the qubit with the unknown state. As a function of s, k, and c, we obtain the optimal fidelity between the qubit with an unknown state and the clone by explicitly giving a completely positive trace-preserving (CPTP) map that represents a cloning machine. We discuss dependency of the fidelity on the values of the parameters s, k, and c.

Manual of Military Decorations and Awards: DoD Service Awards - Campaign, Expeditionary, and Service Medals. Volume 2

DTIC Science & Technology

2010-11-23

Disaster Relief? Consider Creation of Campaign Medal National Security Threat? Advocate for Activation of National Defense Service Medal Consider...2) Arrowhead Device: The arrowhead device is a bronze replica of an Indian arrowhead 1/4 inch high. It is a Department of the Army device that...device is a bronze replica of an Indian arrowhead 1/4 inch high. It is a Department of the Army device that is authorized for wear on the AFEM. (3

Neutron dosimetry of the Little Boy device

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

Pederson, R.A.; Plassmann, E.A.

1984-01-01

Neutron dose rates at several angular locations and at distances out to 0.5 mile have been measured during critical operation of the Little Boy replica. We used modified remmetes and thermoluminescent dosimetry techniques for the measurements. The present status of our analysis is presented including estimates of the neutron-dose-relaxation length in air and the variation of the neutron-to-gamma-ray dose ratio with distance from the replica. These results are preliminary and are subject to detector calibration measurements.

Major metabolite of F2-isoprostane in urine may be a more sensitive biomarker of oxidative stress than isoprostane itself1234

PubMed Central

Dorjgochoo, Tsogzolmaa; Gao, Yu-Tang; Chow, Wong-Ho; Shu, Xiao-ou; Yang, Gong; Cai, Qiuyin; Rothman, Nathaniel; Cai, Hui; Li, Honglan; Deng, Xinqing; Franke, Adrian; Roberts, L Jackson; Milne, Ginger; Zheng, Wei; Dai, Qi

2012-01-01

Background: There is limited literature on the contributors to isoprostane metabolite 2,3-dinor-5,6-dihydro-15-F2t-isoprostane (15-F2t-IsoP-M) compared with F2-isoprostanes (F2-IsoPs) as an oxidative stress biomarker. Objective: The objective of this study was to investigate whether plasma concentrations of antioxidants, urinary excretion rates of polyphenols, and antioxidants in food and dietary supplements are attributable to both urinary F2-IsoP and 15-F2t-IsoP-M concentrations. Design: Dietary intake information and blood and urine samples were obtained from 845 healthy middle-aged and elderly female participants of the Shanghai Women's Health Study. Urinary isoprostanes (F2-IsoPs and 15-F2t-IsoP-M) were measured and adjusted for creatinine concentrations. Results: Urinary 15-F2t-IsoP-M and F2-IsoP concentrations were lower in subjects who used a multivitamin. Lower F2-IsoP concentrations were observed in ginseng users, whereas lower concentrations of 15-F2t-IsoP-M were shown in subjects who used a vitamin E supplement. Plasma concentrations of several antioxidants (ie, β-carotenes, both trans and cis β-carotenes, lycopene other than trans, 5-cis and 7-cis isomers, cis anhydrolutein, and cis β-cryptoxanthin) were inversely associated with 15-F2t-IsoP-M but not with F2-IsoPs, whereas β-, γ-, and δ-tocopherols were positively associated with 15-F2t-IsoP-M but not with F2-IsoPs. Urinary polyphenol quercetin was positively associated with both F2-IsoPs and 15-F2t-IsoP-M. Conclusion: The results suggest that the F2-IsoP major metabolite 15-F2t-IsoP-M may be a more sensitive marker of endogenous oxidative stress status than are F2-IsoPs in the assessment of effects of antioxidants on age-related diseases. PMID:22760572

Protective and therapeutic effects of dexpanthenol on isoproterenol-induced cardiac damage in rats.

PubMed

Kalkan, Ferhat; Parlakpinar, Hakan; Disli, Olcay M; Tanriverdi, Lokman H; Ozhan, Onural; Polat, Alaaddin; Cetin, Aslı; Vardi, Nigar; Otlu, Yılmaz O; Acet, Ahmet

2018-05-18

The purpose of the study was to explore the protective and therapeutic effects of dexpanthenol (DEX) on isoproterenol (ISO)-induced cardiac damage. Forty rats were distributed into four groups: group I (Control); group II (ISO); ISO (150 mg/kg/day) was given to rats once a day for 2 consecutive days with an interval of 24 h; group III (DEX+ISO): DEX (250 mg/kg) was applied 30 min before the first ISO administration and continued in the next two days after second ISO administration; group IV (ISO+DEX): After the ISO treatment at 1st and 2nd days, DEX was given at 3rd and 4th days. Rats were monitored for mean arterial blood pressure (BP), heart rate, oxygen saturation (%SO 2 ), and electrocardiography (ECG). Heart tissue levels of malondialdehyde (MDA), superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GPX), reduced glutathione (GSH), total oxidant status (TOS); total antioxidant capacity (TAC), oxidative stress index (OSI), and caspase-3 were determined. BP and SO 2 values indicated a significant decrease in the ISO group. Also, T wave negativity was observed in 6 of 10 rats, SOD, CAT, and GPX levels were significantly lower in ISO group than control group. ISO administration increased TOS and OSI levels, whereas DEX treatment significantly reduced these parameters. Also, ISO-induced morphological alterations such as disorganization of cardiomyocytes, loss of myofibrils and cytoplasmic vacuolization whereas these histological damages were significantly decreased in ISO+DEX and DEX+ISO groups when compared to the ISO group. This study implies the cardioprotective effects of DEX on ISO-induced cardiotoxicity. © 2018 Wiley Periodicals, Inc.

Naval Open Architecture Contract Guidebook for Program Managers

DTIC Science & Technology

2010-06-30

a whole, transform inputs into outputs. [IEEE/EIA Std. 12207 /1997] “APP233/ ISO 10303” – APP233 an “Application Protocol” for Systems Engineering...Language Metadata Interchange (XMI) and AP233/ ISO 10303). The contractor shall identify the proposed standards and formats to be used. The contractor...ANSI ISO /IEC 9075-1, ISO /IEC 9075-2, ISO /IEC 9075-3, ISO /IEC 9075-4, ISO /IEC 9075-5) 2. HTML for presentation layer (e.g., XML 1.0

Analysis of Implementing Lifetime Energy Cost, Including Fully Burdened Cost of Fuel and Energy Footprints of Contractors, as Mandatory Decision Factors in Navy Acquisition

DTIC Science & Technology

2010-06-01

7 Table 2. ISO 14001 versus ISO 50001 (From: Integrated Renewable Energy , 2010...the ISO is expected to release ISO 50001 , Management System for Energy (MSE) at the end of 2010 (Pinero, 2009, pp. 18–22). Standard 50001 is based...35 Table 2. ISO 14001 versus ISO 50001 (From: Integrated Renewable Energy , 2010) 36 ISO 50001 will focus a company’s attention on

Influence of surface structure and chemistry on water droplet splashing.

PubMed

Koch, Kerstin; Grichnik, Roland

2016-08-06

Water droplet splashing and aerosolization play a role in human hygiene and health systems as well as in crop culturing. Prevention or reduction of splashing can prevent transmission of diseases between animals and plants and keep technical systems such as pipe or bottling systems free of contamination. This study demonstrates to what extent the surface chemistry and structures influence the water droplet splashing behaviour. Smooth surfaces and structured replicas of Calathea zebrina (Sims) Lindl. leaves were produced. Modification of their wettability was done by coating with hydrophobizing and hydrophilizing agents. Their wetting was characterized by contact angle measurement and splashing behaviour was observed with a high-speed video camera. Hydrophobic and superhydrophilic surfaces generally showed fewer tendencies to splash than hydrophobic ones. Structuring amplified the underlying behaviour of the surface chemistries, increasing hydrophobic surfaces' tendency to splash and decreasing splash on hydrophilic surfaces by quickly transporting water off the impact point by capillary forces. The non-porous surface structures found in C. zebrina could easily be applied to technical products such as plastic foils or mats and coated with hydrophilizing agents to suppress splash in areas of increased hygiene requirements or wherever pooling of liquids is not desirable.This article is part of the themed issue 'Bioinspired hierarchically structured surfaces for green science'. © 2016 The Author(s).

Experimental and numeric stress analysis of titanium and zirconia one-piece dental implants.

PubMed

Mobilio, Nicola; Stefanoni, Filippo; Contiero, Paolo; Mollica, Francesco; Catapano, Santo

2013-01-01

To compare the stress in bone around zirconia and titanium implants under loading. A one-piece zirconia implant and a replica of the same implant made of commercially pure titanium were embedded in two self-curing acrylic resin blocks. To measure strain, a strain gauge was applied on the surface of the two samples. Loads of 50, 100, and 150 N, with orientations of 30, 45, and 60 degrees with respect to the implant axis were applied on the implant. Strain under all loading conditions on both samples was measured. Three-dimensional virtual replicas of both the implants were reproduced using the finite element method and inserted into a virtual acrylic resin block. All the materials were considered isotropic, linear, and elastic. The same geometry and loading conditions of the experimental setup were used to realize two new models, with the implants embedded within a virtual bone block. Very close values of strain in the two implants embedded in acrylic resin were obtained both experimentally and numerically. The stress states generated by the implants embedded in virtual bone were also very similar, even if the two implants moved differently. Moreover, the stress levels were higher on cortical bone than on trabecular bone. The stress levels in bone, generated by the two implants, appeared to be very similar. From a mechanical point of view, zirconia is a feasible substitute for titanium.

Adaptive Biasing Combined with Hamiltonian Replica Exchange to Improve Umbrella Sampling Free Energy Simulations.

PubMed

Zeller, Fabian; Zacharias, Martin

2014-02-11

The accurate calculation of potentials of mean force for ligand-receptor binding is one of the most important applications of molecular simulation techniques. Typically, the separation distance between ligand and receptor is chosen as a reaction coordinate along which a PMF can be calculated with the aid of umbrella sampling (US) techniques. In addition, restraints can be applied on the relative position and orientation of the partner molecules to reduce accessible phase space. An approach combining such phase space reduction with flattening of the free energy landscape and configurational exchanges has been developed, which significantly improves the convergence of PMF calculations in comparison with standard umbrella sampling. The free energy surface along the reaction coordinate is smoothened by iteratively adapting biasing potentials corresponding to previously calculated PMFs. Configurations are allowed to exchange between the umbrella simulation windows via the Hamiltonian replica exchange method. The application to a DNA molecule in complex with a minor groove binding ligand indicates significantly improved convergence and complete reversibility of the sampling along the pathway. The calculated binding free energy is in excellent agreement with experimental results. In contrast, the application of standard US resulted in large differences between PMFs calculated for association and dissociation pathways. The approach could be a useful alternative to standard US for computational studies on biomolecular recognition processes.

Applications of stereolithography for rapid prototyping of biologically compatible chip-based physiometers

NASA Astrophysics Data System (ADS)

Fuad, Nurul Mohd; Zhu, Feng; Kaslin, Jan; Wlodkowic, Donald

2016-12-01

Despite the growing demand and numerous applications for the biomedical community, the developments in millifluidic devices for small model organisms are limited compared to other fields of biomicrofluidics. The main reasons for this stagnanation are difficulties in prototyping of millimeter scale and high aspect ratio devices needed for large metazoan organisms. Standard photolithography is in this context a time consuming procedure not easily adapted for fabrication of molds with vertical dimensions above 1 mm. Moreover, photolithography is still largely unattainable to a gross majority of biomedical laboratories willing to pursue custom development of their own chip-based platforms due to costs and need for dedicated clean room facilities. In this work, we present application of high-definition additive manufacturing systems for fabrication of 3D printed moulds used in soft lithography. Combination of 3D printing with PDMS replica molding appears to be an alternative for millifluidic systems that yields rapid and cost effective prototyping pipeline. We investigated the important aspects on both 3D printed moulds and PDMS replicas such as geometric accuracies and surface topology. Our results demonstrated that SLA technologies could be applied for rapid and accurate fabrication of millifluidic devices for trapping of millimetre-sized specimens such as living zebrafish larvae. We applied the new manufacturing method in a proof-of-concept prototype device capable of trapping and immobilizing living zebrafish larvae for recording heart rate variation in cardio-toxicity experiments.

Promoting Strong ISO 50001 Outcomes with Supportive National Infrastructure

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

McKane, Aimee, T.; Siciliano, Graziella; de los Reyes, Pamela

The ISO 50001 standard is a key mechanism for reducing greenhouse gas emissions and improving energy efficiency globally. An increasing number of companies are seeking certification, creating the need for personnel that are competent to conduct ISO 50001 certification audits. The growth of ISO 50001 is expected to accelerate as more companies integrate ISO 50001 into their corporate sustainability strategies and supplier requirements. Robust implementation of ISO 50001 represents an important tool for countries with climate change mitigation goals. Because of its dual focus on continual improvement of an organization’s energy management system (EnMS) and its energy performance improvement, ISOmore » 50001 requires skills of both implementers and certification auditors that are not well-supported by current credentials and training. This paper describes an effort to address skill gaps of certification auditors, a critical factor to ensure that ISO 50001 implementations are robust and result in continued energy performance improvement. A collaboration of governments through the Energy Management Working Group (EMWG), formerly under Global Superior Energy Performance (GSEP), has formed to build workforce capacity for ISO 50001 certification audits. The EMWG is leading the development of an internationally-relevant certification scheme for ISO 50001 Lead Auditor that meets requirements for ISO/IEC 17024 accreditation and ISO 50003 for defining ISO 50001 Lead Auditor competency. Wider availability of competent ISO 50001 Lead Auditors will ultimately increase the impact and market value of ISO 50001 certification and improve consistency of ISO 50001 certification outcomes by establishing a standardized and high level of knowledge and skills globally.« less

A pilot study of the marginal adaptation and surface morphology of glass-cermet cements.

PubMed

Chu, C H; King, N M; Lee, A M; Yiu, C K; Wei, S H

1996-07-01

This study investigated changes in the marginal adaptation and surface morphology of Ketac-Silver and Chelon-Silver glass-current cements over time. Dispersalloy amalgam was used as a control. Contralateral pairs of carious primary molars were restored with the test materials and amalgam. Clinical evaluations were scheduled at 12, 18, and 24 months after placement. Gold-plated replicas of the restorations were observed with scanning electron microscopy. Fractures and cracks in the surface of the Dispersalloy and Chelon-Silver increased the surface roughness; however, the damage was superficial and self-limiting in the Dispersalloy restorations, while in Chelon-Silver the fractures caused the material to break down in layers. A substantial quantity of pores, usually smaller than 50 microns in diameter, were observed throughout the surface of the Chelon-Silver restorations. The pores in the surface of Ketac-Silver were fewer and smaller. The incidence of cavomarginal breakdown increased with time. Chelon-Silver restorations had a higher rate of cavomarginal breakdown than did Ketac-Silver and Dispersalloy restorations up to 18 months. However, there was no statistically significant difference in the marginal adaptation of the three groups at 24 months.

Isocyanate Cross-Linked Silica: Structurally Strong Aerogels

NASA Technical Reports Server (NTRS)

Leventis, Nicholas; Sotiriou-Leventis, Chariklia; Zhang, Guo-Hui; Rawashdeh, Abdel-Monem M.

2002-01-01

Molecular-level synergism between the silica nanoparticles of pre-formed monoliths and molecular cross-linkers inverts the relative host-guest roles in glass-polymer composites, leading to new strong low-density materials. Attempts to load gels with variable amounts of polyurethane precursors such as di-ISO and diol end-capped polybutylene adipate followed by heat treatment, washing, and supercritical drying led to opaque materials, somewhat stronger than silica but still quite brittle and much inferior to the materials described above. Direct mixing of a diisocyanate and an alcohol-free sol has been attempted recently by Yim et al. Reportedly, that procedure leads to week-long gelation times and requires an at least equally long aging period. In our attempt to add various amounts of di-ISO in a base-catalyzed sol in PC, we also noticed a week-long gelation time. The resulting aerogels were translucent but no less brittle than native silica. According to more recent studies, if propylene carbonate is replaced with acetone, it leads not only to shorter processing times, but also to much stronger gels that can tolerate loads in excess of 40 kg in the arrangement presented. We attribute that behavior to the lower viscosity of acetone, that allows faster diffusion of the di-ISO solution within the pores before di-ISO has time to react with the surface of silica. Further studies are underway to vary the chemical identity of the diisocyanate, as well as the composition and density of silica.

Results of tests OA12 and IA9 in the Ames Research Center unitary plan wind tunnels on an 0.030-scale model of the space shuttle vehicle 2A to determine aerodynamic loads, volume 14

NASA Technical Reports Server (NTRS)

Spangler, R. H.

1974-01-01

Tests were conducted in wind tunnels during April and May 1973, on a 0.030-scale replica of the Space Shuttle Vehicle Configuration 2A. Aerodynamic loads data were obtained at Mach numbers from 0.6 to 3.5. The investigation included tests on the integrated (launch) configuration and the isolated orbiter (entry configuration). The integrated vehicle was tested at angles of attack and sideslip from -8 degrees to +8 degrees. The isolated orbiter was tested at angles of attack from -15 degrees to +40 degrees and angles of sideslip from -10 degrees to +10 degrees as dictated by trajectory considerations. The effects of orbiter/external tank incidence angle and deflected control surfaces on aerodynamic loads were also investigated. Tabulated pressure data were obtained for upper and lower wing surfaces and left and right vertical tail surfaces.

Replication of surface nano-structure of the wing of dragonfly ( Pantala Flavescens) using nano-molding and UV nanoimprint lithography

NASA Astrophysics Data System (ADS)

Cho, Joong-Yeon; Kim, Gyutae; Kim, Sungwook; Lee, Heon

2013-07-01

The hydrophobicity of a dragonfly's wing originates from the naturally occurring nano-structure on its surface. The nano-structure on a dragonfly's wing consists of an array of nano-sized pillars, 100 nm in diameter. We re-create this hydrophobicity on various substrates, such as Si, glass, curved acrylic polymer, and flexible PET film, by replicating the nano-structure using UV curable nano-imprint lithography (NIL) and PDMS molding. The success of the nano-structure duplication was confirmed using scanning electron microscopy (SEM). The hydrophobicity was measured by water-based contact angle measurements. The water contact angle of the replica made of UV cured polymer was 135° ± 2°, which was slightly lower than that of the original dragonfly's wing (145° ± 2°), but much higher than that of the UV cured polymer surface without any nano-sized pillars (80°). The hydrophobicity was further improved by applying a coating of Teflon-like material.

Replica exchange molecular dynamics simulation of structure variation from α/4β-fold to 3α-fold protein.

PubMed

Lazim, Raudah; Mei, Ye; Zhang, Dawei

2012-03-01

Replica exchange molecular dynamics (REMD) simulation provides an efficient conformational sampling tool for the study of protein folding. In this study, we explore the mechanism directing the structure variation from α/4β-fold protein to 3α-fold protein after mutation by conducting REMD simulation on 42 replicas with temperatures ranging from 270 K to 710 K. The simulation began from a protein possessing the primary structure of GA88 but the tertiary structure of GB88, two G proteins with "high sequence identity." Albeit the large Cα-root mean square deviation (RMSD) of the folded protein (4.34 Å at 270 K and 4.75 Å at 304 K), a variation in tertiary structure was observed. Together with the analysis of secondary structure assignment, cluster analysis and principal component, it provides insights to the folding and unfolding pathway of 3α-fold protein and α/4β-fold protein respectively paving the way toward the understanding of the ongoings during conformational variation.

The effects of the one-step replica symmetry breaking on the Sherrington-Kirkpatrick spin glass model in the presence of random field with a joint Gaussian probability density function for the exchange interactions and random fields

NASA Astrophysics Data System (ADS)

Hadjiagapiou, Ioannis A.; Velonakis, Ioannis N.

2018-07-01

The Sherrington-Kirkpatrick Ising spin glass model, in the presence of a random magnetic field, is investigated within the framework of the one-step replica symmetry breaking. The two random variables (exchange integral interaction Jij and random magnetic field hi) are drawn from a joint Gaussian probability density function characterized by a correlation coefficient ρ, assuming positive and negative values. The thermodynamic properties, the three different phase diagrams and system's parameters are computed with respect to the natural parameters of the joint Gaussian probability density function at non-zero and zero temperatures. The low temperature negative entropy controversy, a result of the replica symmetry approach, has been partly remedied in the current study, leading to a less negative result. In addition, the present system possesses two successive spin glass phase transitions with characteristic temperatures.

Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins.

PubMed

Karczyńska, Agnieszka S; Czaplewski, Cezary; Krupa, Paweł; Mozolewska, Magdalena A; Joo, Keehyoung; Lee, Jooyoung; Liwo, Adam

2017-12-05

Molecular simulations restrained to single or multiple templates are commonly used in protein-structure modeling. However, the restraints introduce additional barriers, thus impairing the ergodicity of simulations, which can affect the quality of the resulting models. In this work, the effect of restraint types and simulation schemes on ergodicity and model quality was investigated by performing template-restrained canonical molecular dynamics (MD), multiplexed replica-exchange molecular dynamics, and Hamiltonian replica exchange molecular dynamics (HREMD) simulations with the coarse-grained UNRES force field on nine selected proteins, with pseudo-harmonic log-Gaussian (unbounded) or Lorentzian (bounded) restraint functions. The best ergodicity was exhibited by HREMD. It has been found that non-ergodicity does not affect model quality if good templates are used to generate restraints. However, when poor-quality restraints not covering the entire protein are used, the improved ergodicity of HREMD can lead to significantly improved protein models. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Controlled replication of butterfly wings for achieving tunable photonic properties.

PubMed

Huang, Jingyun; Wang, Xudong; Wang, Zhong Lin

2006-10-01

The fine structure of the wing scale of a Morpho Peleides butterfly was examined carefully, and the entire configuration was completely replicated by a uniform Al(2)O(3) coating through a low-temperature ALD process. An inverted structure was achieved by removing the butterfly wing template at high temperature, forming a polycrystalline Al(2)O(3) shell structure with precisely controlled thickness. Other than the copy of the morphology of the structure, the optical property, such as the existence of PBG, was also inherited by the alumina replica. Reflection peaks at the violet/blue range were detected on both original wings and their replica, while a simple alumina coating shifted the reflection peak to longer wavelength because of the change of periodicity and refraction index. The alumina replicas also exhibited similar functional structures as waveguide and beam splitter, which may be used as the building blocks for photonic ICs with high reproducibility and lower fabrication cost compared to traditional lithography techniques.

Synthetic fossilization of soft biological tissues and their shape-preserving transformation into silica or electron-conductive replicas

DOE PAGES

Townson, Jason L.; Lin, Yu-Shen; Chou, Stanley S.; ...

2014-12-08

Structural preservation of complex biological systems from the subcellular to whole organism level in robust forms, enabling dissection and imaging while preserving 3D context, represents an enduring grand challenge in biology. Here we report a simple immersion method for structurally preserving intact organisms via conformal stabilization within silica. This self-limiting process, which we refer to as silica bioreplication, occurs by condensation of water-soluble silicic acid proximally to biomolecular interfaces throughout the organism. Conformal nanoscopic silicification of all biomolecular features imparts structural rigidity enabling the preservation of shape and nano-to-macroscale dimensional features upon drying to form a biocomposite and further highmore » temperature oxidative calcination to form silica replicas or reductive pyrolysis to form electrically conductive carbon replicas of complete organisms. Ultimately, the simplicity and generalizability of this approach should facilitate efforts in biological preservation and analysis and could enable the development of new classes of biomimetic composite materials.« less

Speculation and replication in temperature accelerated dynamics

DOE PAGES

Zamora, Richard J.; Perez, Danny; Voter, Arthur F.

2018-02-12

Accelerated Molecular Dynamics (AMD) is a class of MD-based algorithms for the long-time scale simulation of atomistic systems that are characterized by rare-event transitions. Temperature-Accelerated Dynamics (TAD), a traditional AMD approach, hastens state-to-state transitions by performing MD at an elevated temperature. Recently, Speculatively-Parallel TAD (SpecTAD) was introduced, allowing the TAD procedure to exploit parallel computing systems by concurrently executing in a dynamically generated list of speculative future states. Although speculation can be very powerful, it is not always the most efficient use of parallel resources. In this paper, we compare the performance of speculative parallelism with a replica-based technique, similarmore » to the Parallel Replica Dynamics method. A hybrid SpecTAD approach is also presented, in which each speculation process is further accelerated by a local set of replicas. Finally and overall, this work motivates the use of hybrid parallelism whenever possible, as some combination of speculation and replication is typically most efficient.« less

Computational aspects of the smectization process in liquid crystals: An example study of a perfectly aligned two-dimensional hard-boomerang system

NASA Astrophysics Data System (ADS)

Chrzanowska, Agnieszka

2017-06-01

A replica method for calculation of smectic liquid crystal properties within the Onsager theory has been presented and applied to an exemplary case of two-dimensional perfectly aligned needlelike boomerangs. The method allows one to consider the complete influence of the interaction terms in contrast to the Fourier expansion method which uses mostly first or second order terms of expansion. The program based on the replica algorithm is able to calculate a single representative layer as an equivalent set of layers, depending on the size of the considered width of the sample integration interval. It predicts successfully smectic density distributions, energies, and layer thicknesses for different types of layer arrangement—of the antiferroelectric or of the smectic A order type. Specific features of the algorithm performance and influence of the numerical accuracy on the physical properties are presented. Future applications of the replica method to freely rotating molecules are discussed.

Computational aspects of the smectization process in liquid crystals: An example study of a perfectly aligned two-dimensional hard-boomerang system.

PubMed

Chrzanowska, Agnieszka

2017-06-01

A replica method for calculation of smectic liquid crystal properties within the Onsager theory has been presented and applied to an exemplary case of two-dimensional perfectly aligned needlelike boomerangs. The method allows one to consider the complete influence of the interaction terms in contrast to the Fourier expansion method which uses mostly first or second order terms of expansion. The program based on the replica algorithm is able to calculate a single representative layer as an equivalent set of layers, depending on the size of the considered width of the sample integration interval. It predicts successfully smectic density distributions, energies, and layer thicknesses for different types of layer arrangement-of the antiferroelectric or of the smectic A order type. Specific features of the algorithm performance and influence of the numerical accuracy on the physical properties are presented. Future applications of the replica method to freely rotating molecules are discussed.

Characteristics and self-cleaning effect of the transparent super-hydrophobic film having nanofibers array structures

NASA Astrophysics Data System (ADS)

Lee, Kyungjun; Lyu, Sungnam; Lee, Sangmin; Kim, Youn Sang; Hwang, Woonbong

2010-09-01

Transparent super-hydrophobic films were fabricated using the PDMS method and silane process, based on anodization in phosphoric acid. Contact angle tests were performed to determine the contact angle of each film according to the anodizing time. Transmittance tests also were performed to obtain the transparency of each TPT (trimethylolpropane propoxylate triacrylate) replica film according to the anodizing time. The contact angle was determined by studying the drop shape, and the transmittance was measured using a UV-spectrometer. The contact angle increases with increasing anodizing time, because increasing pillar length can trap more air between the TPT replica film and a drop of water. The transmittance falls with increasing anodizing time because the increasing pillar length causes a scattering effect. This study shows that the pillar length and transparency are inversely proportional. The TPT replica film having nanofibers array structures was better than other films in aspect of self-cleaning by doing quantitative experimentation.

Charting the Replica Symmetric Phase

NASA Astrophysics Data System (ADS)

Coja-Oghlan, Amin; Efthymiou, Charilaos; Jaafari, Nor; Kang, Mihyun; Kapetanopoulos, Tobias

2018-02-01

Diluted mean-field models are spin systems whose geometry of interactions is induced by a sparse random graph or hypergraph. Such models play an eminent role in the statistical mechanics of disordered systems as well as in combinatorics and computer science. In a path-breaking paper based on the non-rigorous `cavity method', physicists predicted not only the existence of a replica symmetry breaking phase transition in such models but also sketched a detailed picture of the evolution of the Gibbs measure within the replica symmetric phase and its impact on important problems in combinatorics, computer science and physics (Krzakala et al. in Proc Natl Acad Sci 104:10318-10323, 2007). In this paper we rigorise this picture completely for a broad class of models, encompassing the Potts antiferromagnet on the random graph, the k-XORSAT model and the diluted k-spin model for even k. We also prove a conjecture about the detection problem in the stochastic block model that has received considerable attention (Decelle et al. in Phys Rev E 84:066106, 2011).

Speculation and replication in temperature accelerated dynamics

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

Zamora, Richard J.; Perez, Danny; Voter, Arthur F.

Accelerated Molecular Dynamics (AMD) is a class of MD-based algorithms for the long-time scale simulation of atomistic systems that are characterized by rare-event transitions. Temperature-Accelerated Dynamics (TAD), a traditional AMD approach, hastens state-to-state transitions by performing MD at an elevated temperature. Recently, Speculatively-Parallel TAD (SpecTAD) was introduced, allowing the TAD procedure to exploit parallel computing systems by concurrently executing in a dynamically generated list of speculative future states. Although speculation can be very powerful, it is not always the most efficient use of parallel resources. In this paper, we compare the performance of speculative parallelism with a replica-based technique, similarmore » to the Parallel Replica Dynamics method. A hybrid SpecTAD approach is also presented, in which each speculation process is further accelerated by a local set of replicas. Finally and overall, this work motivates the use of hybrid parallelism whenever possible, as some combination of speculation and replication is typically most efficient.« less

Predicting folding-unfolding transitions in proteins without a priori knowledge of the folded state

NASA Astrophysics Data System (ADS)

Okan, Osman; Turgut, Deniz; Garcia, Angel; Ozisik, Rahmi

2013-03-01

The common computational method of studying folding transitions in proteins is to compare simulated conformations against the folded structure, but this method obviously requires the folded structure to be known beforehand. In the current study, we show that the use of bond orientational order parameter (BOOP) Ql [Steinhardt PJ, Nelson DR, Ronchetti M, Phys. Rev. B 1983, 28, 784] is a viable alternative to the commonly adopted root mean squared distance (RMSD) measure in probing conformational transitions. Replica exchange molecular dynamics simulations of the trp-cage protein (with 20 residues) in TIP-3P water were used to compare BOOP against RMSD. The results indicate that the correspondence between BOOP and RMSD time series become stronger with increasing l. We finally show that robust linear models that incorporate different Ql can be parameterized from a given replica run and can be used to study other replica trajectories. This work is partially supported by NSF DUE-1003574.

Relationship between platelet and urinary 8-Iso-PGF2α levels in subjects with different degrees of NOX2 regulation.

PubMed

Carnevale, Roberto; Iuliano, Luigi; Nocella, Cristina; Bartimoccia, Simona; Trapè, Stefano; Russo, Roberta; Gentile, Maria Cristina; Cangemi, Roberto; Loffredo, Lorenzo; Pignatelli, Pasquale; Violi, Francesco

2013-06-14

Urinary 8-iso-PGF2α, a marker of oxidative stress, is influenced by the activation of NOX2. It is unclear if platelets 8-iso-PGF2α contribute to urinary 8-iso-PGF2α. In a cross-sectional study, platelet, urinary, and serum 8-iso-PGF2α were determined in subjects with downregulation (X-linked chronic granulomatous disease [X-CGD], n=25) and upregulation (type II diabetic patients [T2D], n=121) of NOX2 and 153 controls matched for sex and age. In diabetic patients (n=18), the above variables were repeated before and after 7 days treatment with 100 mg/day aspirin or 100 mg/day aspirin plus 40 mg/day atorvastatin. In vitro study was performed to see the contribution of blood cells to serum 8-iso-PGF2α. Compared with controls, X-CGD patients had lower platelet, serum, and urinary 8-iso-PGF2α values; conversely, diabetic patients had higher values of 8-iso-PGF2α compared with controls. Urinary 8-iso-PGF2α significantly correlated with both platelet and serum 8-iso-PGF2α in the 2 cohorts. A parallel increase of platelet, serum, and urinary 8-iso-PGF2α by aspirin and a parallel decrease by aspirin plus atorvastatin were detected in the interventional study. In vitro study demonstrated that platelets contribute to 37% of serum 8-iso-PGF2α and that only 13% of it is of extravascular origin. The study suggests that NOX2 contributes to the formation of 8-iso-PGF2α in both platelets and urine. The direct correlation between platelet and urinary 8-iso-PGF2α suggests that, at least partly, urinary 8-iso-PGF2α reflects platelet 8-iso-PGF2α production. Analysis of serum 8-iso-PGF2α may represent a novel tool to investigate the production of 8-iso-PGF2α by blood cells including platelets. URL: ClinicalTrials.gov. Unique Identifier: NCT01250340.

49 CFR 178.930 - Standards for fiberboard Large Packagings.

Code of Federal Regulations, 2013 CFR

2013-10-01

... puncture resistance of 15 Joules (11 foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171... in handling and transport. Where a detachable pallet is used, its top surface must be free from protrusions that might damage the Large Packaging. (3) Strengthening devices, such as timber supports to...

49 CFR 178.708 - Standards for fiberboard IBCs.

Code of Federal Regulations, 2010 CFR

2010-10-01

... part of it. (c) Construction requirements for fiberboard IBCs are as follows: (1) Top lifting devices... puncture resistance of 15 Joules (11 foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171... stability in handling and transport. Where a detachable pallet is used, its top surface must be free from...

49 CFR 178.930 - Standards for fiberboard Large Packagings.

Code of Federal Regulations, 2010 CFR

2010-10-01

... puncture resistance of 15 Joules (11 foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171... in handling and transport. Where a detachable pallet is used, its top surface must be free from protrusions that might damage the Large Packaging. (3) Strengthening devices, such as timber supports to...

49 CFR 178.930 - Standards for fiberboard Large Packagings.

Code of Federal Regulations, 2011 CFR

2011-10-01

... puncture resistance of 15 Joules (11 foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171... in handling and transport. Where a detachable pallet is used, its top surface must be free from protrusions that might damage the Large Packaging. (3) Strengthening devices, such as timber supports to...

49 CFR 178.930 - Standards for fiberboard Large Packagings.

Code of Federal Regulations, 2012 CFR

2012-10-01

... puncture resistance of 15 Joules (11 foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171... in handling and transport. Where a detachable pallet is used, its top surface must be free from protrusions that might damage the Large Packaging. (3) Strengthening devices, such as timber supports to...

49 CFR 178.930 - Standards for fiberboard Large Packagings.

Code of Federal Regulations, 2014 CFR

2014-10-01

... puncture resistance of 15 Joules (11 foot-pounds of energy) measured according to ISO 3036 (IBR, see § 171... in handling and transport. Where a detachable pallet is used, its top surface must be free from protrusions that might damage the Large Packaging. (3) Strengthening devices, such as timber supports to...

NRL Review - 2009

DTIC Science & Technology

2009-01-01

for a fundamental physical understanding of electronic properties . The Materials Processing Facility includes appa- ratuses for powder production by...situ. Facilities to process powder into bulk specimens by hot and cold isostatic pressing permit a variety of consolidation possibilities. The iso...Synthesis/ Property Measurement Facility has special emphasis on polymers, surface-film processing , and directed self-assembly. The Chemical Vapor

Rapid Estimation of Building Damage by Conventional Weapons

DTIC Science & Technology

2014-09-01

impulse applied to reflect surface 17 iso = impulse of incident wave t0 = wave duration Lw = wavelength of incident wave ta = arrival time...floor area = 3 x 100 x 90 = 27000 ft2 Tributary area support per column = 27000 /30 = 900 ft2 Therefore, the tributary area supported by a column is

Torsional Oscillations of the Earths's Core

NASA Technical Reports Server (NTRS)

Hide, Raymond; Boggs, Dale H.; Dickey, Jean O.

1997-01-01

Torsional oscillations of the Earth's liquid metallic outer core are investigated by diving the core into twenty imaginary e1qui-volume annuli coaxial with the axis of ratation of the Earth and determining temproal fluctuations in the axial component of angular memonetum of each annulus under the assumption of iso-rotation on cylindrical surfaces.

A unified in vitro evaluation for apatite-forming ability of bioactive glasses and their variants.

PubMed

Maçon, Anthony L B; Kim, Taek B; Valliant, Esther M; Goetschius, Kathryn; Brow, Richard K; Day, Delbert E; Hoppe, Alexander; Boccaccini, Aldo R; Kim, Ill Yong; Ohtsuki, Chikara; Kokubo, Tadashi; Osaka, Akiyoshi; Vallet-Regí, Maria; Arcos, Daniel; Fraile, Leandro; Salinas, Antonio J; Teixeira, Alexandra V; Vueva, Yuliya; Almeida, Rui M; Miola, Marta; Vitale-Brovarone, Chiara; Verné, Enrica; Höland, Wolfram; Jones, Julian R

2015-02-01

The aim of this study was to propose and validate a new unified method for testing dissolution rates of bioactive glasses and their variants, and the formation of calcium phosphate layer formation on their surface, which is an indicator of bioactivity. At present, comparison in the literature is difficult as many groups use different testing protocols. An ISO standard covers the use of simulated body fluid on standard shape materials but it does not take into account that bioactive glasses can have very different specific surface areas, as for glass powders. Validation of the proposed modified test was through round robin testing and comparison to the ISO standard where appropriate. The proposed test uses fixed mass per solution volume ratio and agitated solution. The round robin study showed differences in hydroxyapatite nucleation on glasses of different composition and between glasses of the same composition but different particle size. The results were reproducible between research facilities. Researchers should use this method when testing new glasses, or their variants, to enable comparison between the literature in the future.

A distinct group of CpG islands shows differential DNA methylation between replicas of the same cell line in vitro

PubMed Central

2013-01-01

Background CpG dinucleotide-rich genomic DNA regions, known as CpG islands (CGIs), can be methylated at their cytosine residues as an epigenetic mark that is stably inherited during cell mitosis. Differentially methylated regions (DMRs) are genomic regions showing different degrees of DNA methylation in multiple samples. In this study, we focused our attention on CGIs showing different DNA methylation between two culture replicas of the same cell line. Results We used methylation data of 35 cell lines from the Encyclopedia of DNA Elements (ENCODE) consortium to identify CpG islands that were differentially methylated between replicas of the same cell line and denoted them Inter Replicas Differentially Methylated CpG islands (IRDM-CGIs). We identified a group of IRDM-CGIs that was consistently shared by different cell lines, and denoted it common IRDM-CGIs. X chromosome CGIs were overrepresented among common IRDM-CGIs. Autosomal IRDM-CGIs were preferentially located in gene bodies and intergenic regions had a lower G + C content, a smaller mean length, and a reduced CpG percentage. Functional analysis of the genes associated with autosomal IRDM-CGIs showed that many of them are involved in DNA binding and development. Conclusions Our results show that several specific functional and structural features characterize common IRDM-CGIs. They may represent a specific subset of CGIs that are more prone to being differentially methylated for their intrinsic characteristics. PMID:24106769

Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces

PubMed Central

Levine, Zachary A.; Rapp, Michael V.; Wei, Wei; Mullen, Ryan Gotchy; Wu, Chun; Zerze, Gül H.; Mittal, Jeetain; Waite, J. Herbert; Israelachvili, Jacob N.; Shea, Joan-Emma

2016-01-01

Translating sticky biological molecules—such as mussel foot proteins (MFPs)—into synthetic, cost-effective underwater adhesives with adjustable nano- and macroscale characteristics requires an intimate understanding of the glue’s molecular interactions. To help facilitate the next generation of aqueous adhesives, we performed a combination of surface forces apparatus (SFA) measurements and replica-exchange molecular dynamics (REMD) simulations on a synthetic, easy to prepare, Dopa-containing peptide (MFP-3s peptide), which adheres to organic surfaces just as effectively as its wild-type protein analog. Experiments and simulations both show significant differences in peptide adsorption on CH3-terminated (hydrophobic) and OH-terminated (hydrophilic) self-assembled monolayers (SAMs), where adsorption is strongest on hydrophobic SAMs because of orientationally specific interactions with Dopa. Additional umbrella-sampling simulations yield free-energy profiles that quantitatively agree with SFA measurements and are used to extract the adhesive properties of individual amino acids within the context of MFP-3s peptide adhesion, revealing a delicate balance between van der Waals, hydrophobic, and electrostatic forces. PMID:27036002

Femtosecond laser fabricated spike structures for selective control of cellular behavior.

PubMed

Schlie, Sabrina; Fadeeva, Elena; Koch, Jürgen; Ngezahayo, Anaclet; Chichkov, Boris N

2010-09-01

In this study we investigate the potential of femtosecond laser generated micrometer sized spike structures as functional surfaces for selective cell controlling. The spike dimensions as well as the average spike to spike distance can be easily tuned by varying the process parameters. Moreover, negative replications in soft materials such as silicone elastomer can be produced. This allows tailoring of wetting properties of the spike structures and their negative replicas representing a reduced surface contact area. Furthermore, we investigated material effects on cellular behavior. By comparing human fibroblasts and SH-SY5Y neuroblastoma cells we found that the influence of the material was cell specific. The cells not only changed their morphology, but also the cell growth was affected. Whereas, neuroblastoma cells proliferated at the same rate on the spike structures as on the control surfaces, the proliferation of fibroblasts was reduced by the spike structures. These effects can result from the cell specific adhesion patterns as shown in this work. These findings show a possibility to design defined surface microstructures, which could control cellular behavior in a cell specific manner.

Wright-Patterson AFB, Ohio Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F.

DTIC Science & Technology

1985-09-01

LSTI: ISO -1700 ............. [..........................................NO" ........". OT5...................................................... I WIND...90.3 91.1 91.3 91.4 91.6 92.6 91.b 9i.T 91.7 91.7 91.7 E iso 51.i8 - 76.9 82.1 8b. 90.7 90.7 92.s 92.7 92.8 93.0 93.0 93.0 93.1 93.1 93.1 93.1 FE 2000...97.4 91.4 97.% 91.4 97.4 GE 27003 55.1 79.4 84.4 90.1 95.7 96.8 97.1 98.0 88.1 98.1 98.1 98.1 91.3 98.1 98.1 98.1 UE 18001 55.1 79.5 84.5 90.? 95.8 96.9

[Effect of Ti bonder on the bond strength between porcelain and titanium].

PubMed

Yao, Hai; Luo, Xiao-ping

2009-12-01

To investigate the influence of GC Initial Ti Bonder on bond strength between Vita Titankeramik porcelain and titanium. Forty titanium samples were prepared and randomly assigned to 4 groups with 10 samples in each group. Samples in each group were subjected to one of the following surface treatments, burnishing (Group B), sandblasting (Group S), firing GC Initial Ti Bonder after burnishing (Group BG) and firing GC Initial Ti Bonder after sandblasting (Group SG). Vita Titankeramik porcelain were fired on the surface of each sample in the middle. Three-point bending tests were conducted on each sample according to the ISO 9693. The fracture patterns of all specimens were recorded using zoom stereo microscope (ZSM) and the fracture surfaces were observed under scanning electron microscope (SEM). With fired GC Initial Ti Bonder, the bond strength of Vita Titankeramik porcelain to titanium in Group BG and Group SG were (32.72 +/- 4.46) and (34.25 +/- 6.52) MPa respectively, which reach the ISO 9693 standard for clinical use and were significantly higher than those in Group B [(20.70 +/- 3.15) MPa] and Group S [(23.92 +/- 5.02) MPa]. GC Initial Ti Bonder can significantly improve bond strength between Vita Titankeramik porcelain and titanium.

AOAC Official MethodSM Matrix Extension Validation Study of Assurance GDSTM for the Detection of Salmonella in Selected Spices.

PubMed

Feldsine, Philip; Kaur, Mandeep; Shah, Khyati; Immerman, Amy; Jucker, Markus; Lienau, Andrew

2015-01-01

Assurance GDSTM for Salmonella Tq has been validated according to the AOAC INTERNATIONAL Methods Committee Guidelines for Validation of Microbiological Methods for Food and Environmental Surfaces for the detection of selected foods and environmental surfaces (Official Method of AnalysisSM 2009.03, Performance Tested MethodSM No. 050602). The method also completed AFNOR validation (following the ISO 16140 standard) compared to the reference method EN ISO 6579. For AFNOR, GDS was given a scope covering all human food, animal feed stuff, and environmental surfaces (Certificate No. TRA02/12-01/09). Results showed that Assurance GDS for Salmonella (GDS) has high sensitivity and is equivalent to the reference culture methods for the detection of motile and non-motile Salmonella. As part of the aforementioned validations, inclusivity and exclusivity studies, stability, and ruggedness studies were also conducted. Assurance GDS has 100% inclusivity and exclusivity among the 100 Salmonella serovars and 35 non-Salmonella organisms analyzed. To add to the scope of the Assurance GDS for Salmonella method, a matrix extension study was conducted, following the AOAC guidelines, to validate the application of the method for selected spices, specifically curry powder, cumin powder, and chili powder, for the detection of Salmonella.

Quantification of Wear and Deformation in Different Configurations of Polyethylene Acetabular Cups Using Micro X-ray Computed Tomography

PubMed Central

Affatato, Saverio; Zanini, Filippo; Carmignato, Simone

2017-01-01

Wear is currently quantified as mass loss of the bearing materials measured using gravimetric methods. However, this method does not provide other information, such as volumetric loss or surface deviation. In this work, we validated a technique to quantify polyethylene wear in three different batches of ultrahigh-molecular-polyethylene acetabular cups used for hip implants using nondestructive microcomputed tomography. Three different configurations of polyethylene acetabular cups, previously tested under the ISO 14242 parameters, were tested on a hip simulator for an additional 2 million cycles using a modified ISO 14242 load waveform. In this context, a new approach was proposed in order to simulate, on a hip joint simulator, high-demand activities. In addition, the effects of these activities were analyzed in terms of wear and deformations of those polyethylenes by means of gravimetric method and micro X-ray computed tomography. In particular, while the gravimetric method was used for weight loss assessment, microcomputed tomography allowed for acquisition of additional quantitative information about the evolution of local wear and deformation through three-dimensional surface deviation maps for the entire cups’ surface. Experimental results showed that the wear and deformation behavior of these materials change according to different mechanical simulations. PMID:28772616

Neonatal isoflavone exposure interferes with the reproductive system of female Wistar rats.

PubMed

Müller, Dennis R; Soukup, Sebastian T; Kurrat, Anne; Liu, Xin; Schmicke, Marion; Xie, Ming-Yong; Kulling, Sabine E; Diel, Patrick

2016-11-16

There is increasing concern about possible adverse effects of soy based infant formulas (SBIF) due to their high amount of isoflavones (ISO). The aim of the present study was to investigate effects of neonatal exposure to ISO on reproductive system of female Wistar rats. Animals were exposed to an ISO depleted diet or a diet enriched with an ISO extract (IRD; 508mg ISO/kg) during embryogenesis and adolescence. Pups of each group were fed daily by pipette with ISO-suspension (ISO+; 32mg ISO/kg bw) or placebo from postnatal day (PND) 1 until PND23 resulting in plasma concentrations similar to levels reported in infants fed SBIF. The visceral fat mass was reduced by long-term IRD. Vaginal epithelial height was increased at PND23 and vaginal opening was precocious in ISO+ groups. Later in life, more often irregular estrus cycles were observed in rats of ISO+ groups. In addition, FSH levels and uterine epithelial heights were increased at PND80 in ISO+ groups. In summary, the results indicate that neonatal ISO intake, resulting in plasma concentrations achievable through SBIF, has an estrogenic effect on prepubertal rats and influences female reproductive tract later in life. Copyright © 2016. Published by Elsevier Ireland Ltd.

Evaluation of cold workplaces: an overview of standards for assessment of cold stress.

PubMed

Holmér, Ingvar

2009-07-01

Many persons world wide are exposed to cold environments, either indoors for example in cold stores, or outdoors. Cold is a hazard to health and may affect safety and performance of work. Basis for the creation of safe and optimal working conditions may be obtained by the application of relevant international standards. ISO 11079 presents a method for evaluation of whole body heat balance. On the basis of climate and activity a required clothing insulation (IREQ) for heat balance is determined. For clothing with known insulation value an exposure time limited is calculated. ISO 11079 also includes criteria for assessment of local cooling. Finger temperatures should not be below 24 degrees C during prolonged exposures or 15 degrees C occasionally. Wind chill temperature indicates the risk of bare skin to freeze for combinations of wind and low temperatures. Special protection of airways is recommended at temperatures below -20 degrees C, in particular during heavy work. Additional standards are available describing evaluation strategies, work place observation checklists and checklist for medical screening. Risks associated with contact with cold surfaces can be evaluated with ISO 13732. The strategy and principles for assessment and prevention of cold stress are reviewed in this paper.

The American Association for Laboratory Accreditation

DTIC Science & Technology

2011-03-28

ISO / IEC 17025 ...Information Technology A2LA DoD ELAP Program n All labs are assessed to ISO / IEC 17025 :2005 as the base standard. n In addition, the requirements of 2003...n Inspection Body Accreditation ( ISO / IEC 17020) n Proficiency Testing Providers ( ISO / IEC 17043) n Reference Materials Producers ( ISO Guide

The CMMI Product Suite and International Standards

DTIC Science & Technology

2006-07-01

standards: “2.3 Reference Documents 2.3.1 Applicable ISO /IEC documents, including ISO /IEC 12207 and ISO /IEC 15504.” “3.1 Development User Requirements...related international standards such as ISO 9001:2000, 12207 , 15288 © 2006 by Carnegie Mellon University Page 12 Key Supplements Needed...the Measurement Framework in ISO /IEC 15504; and • the Process Reference Model included in ISO /IEC 12207 . A possible approach has been developed for

SEI Approach to Harmonization

DTIC Science & Technology

2008-07-18

PAs and PLA ISO 15504 and ISO 12207 COBIT EFQM ISO 9001 Improvement Method Elements Change management techniques: IDEAL and Six Sigma...Multimodel Improvement in Practice 12 SEI Webinar Series Northrop Grumman Mission Systems • CMMI, Six Sigma, ISO , KM • ―.. accelerate achievement of Levels...CMMI, ITIL, ISO 9001, P-CMM  ―Integrated Quality Mgmt System‖ • ―…development center…reduce[d]...in-process failure costs...5 to 1%...‖ Wipro • ISO

Measuring Operational Resilience Using the CERT(Registered) Resilience Management Model

DTIC Science & Technology

2010-09-01

such as ISO 27002 [ ISO 2005]) and then measure the implementation and performance of practices contained in the standard. This checklist-based ap...Security techniques – Code of practice for information security management. ISO /IEC 27002 :2005, June 2005. Also known as ISO /IEC 17799:2005. [ ISO 2007...Table 23: ISO 15939 Process Activities and Tasks 54 Table 24: CERT-RMM Measurement and Analysis Process Area Goals and Practices 55 CMU/SEI

Software Assurance Curriculum Project Volume 3: Master of Software Assurance Course Syllabi

DTIC Science & Technology

2011-07-01

and International Electrotechnical Commission ( ISO /IEC). ISO /IEC 27002 :2005 Information Technology – Security Techniques – Code of Practice for...Compliance and Policy (CP) practice • [ ISO 2008] ISO 27002 Section 15 Research and identify (or develop) an example of policy language that...Microsoft SDL • [Merkow 2010] Chapters 5, 6, 8 • [ ISO 2008] ISO 27002 Sections 12.1-12.5 Identify practices to mitigate selected risks for sample

DOD ELAP Lab Uncertainties

DTIC Science & Technology

2012-03-01

ISO / IEC   17025  Inspection Bodies – ISO / IEC  17020  RMPs – ISO  Guide 34 (Reference...certify to :  ISO  9001 (QMS),  ISO  14001 (EMS),   TS 16949 (US Automotive)  etc. 2 3 DoD QSM 4.2 standard   ISO / IEC   17025 :2005  Each has uncertainty...IPV6, NLLAP, NEFAP  TRAINING Programs  Certification Bodies – ISO / IEC  17021  Accreditation for  Management System 

[Update to ISO 15189:2012, and future prospects].

PubMed

Shimoda, Katsuji; Kubono, Katsuo

2014-06-01

ISO (the International Organization for Standardization) is a worldwide federation of national standard bodies (ISO member bodies). The work of preparing international standards is normally carried out through ISO technical committees. ISO 15189 was prepared by Technical Committee ISO/TC 212, clinical laboratory testing, and in vitro diagnostic test systems. This third edition replaces the second edition (ISO 15189:2007), which was technically revised. Medical laboratory services are essential for patient care and, therefore, have to be available to meet the needs of all patients and the clinical personnel responsible for the care of those patients.

Increased F3-Isoprostanes in the Canadian Inuit Population Could Be Cardioprotective by Limiting F2-Isoprostane Production.

PubMed

Alkazemi, Dalal; Jackson, Robert L; Chan, Hing Man; Kubow, Stan

2016-09-01

F3-isoprostanes (F3-IsoPs), derived from peroxidation of eicosapentaenoic acid (C20:5n-3), could be cardioprotective by limiting production of F2-isoprostanes (F2-IsoPs), a cardiovascular disease risk factor. The objective of the study was to determine whether the n-3-polyunsaturated (PUFA)-rich Inuit diet is associated with a lower plasma ratio of F2-IsoPs to F3-IsoPs. This was a cross-sectional observational study. The study was conducted in 36 Canadian Arctic Inuit communities. Participants included a random subset (n = 233) of Inuit adults taken from a population-based survey. Plasma F2-IsoPs and F3-IsoPs, cardiometabolic risk factors (blood lipids, C-reactive protein, blood pressure, fasting glucose) and markers of dietary exposure (erythrocyte n-3 and n-6 PUFA, blood levels of Se, mercury, polychlorinated biphenyls) were measured. Inuit aged 40 years old and older vs younger Inuit showed higher concentrations of plasma F3-IsoPs and erythrocyte n-3 PUFA and lower plasma F2-IsoPs concentrations despite having higher blood lipids, fasting glucose, systolic blood pressure, and percentage body fat. Plasma F3-IsoPs were not associated with any cardiometabolic measures. When subjects were categorized into tertiles according to total n-3 PUFA erythrocyte concentrations, F3-IsoPs increased with increasing tertiles, whereas the F2-IsoP to F3-IsoP ratio was lowest at the highest n-3 tertile. The F2-IsoP to F3-IsoP ratio was significantly predicted by C20:5n-3 (β= -.365, P = .002); C20:4n-6:C20:5n-3 (β = .056, P = .006), blood mercury (β = -.812, P =.015), blood Se (β = -1.95, P = .015), and smoking (β = .745, P = .025). Plasma F3-IsoPs were not associated with cardiometabolic risk factors previously seen with F2-IsoPs. Higher n-3 fatty acid status was associated with lower plasma F2-IsoPs and higher plasma F3-IsoPs, which provides partial explanation to the cardioprotective effects of the n-3 PUFA-rich Inuit diet.

Coexistence and interfacial properties of a triangle-well mimicking the Lennard-Jones fluid and a comparison with noble gases.

PubMed

Bárcenas, M; Reyes, Y; Romero-Martínez, A; Odriozola, G; Orea, P

2015-02-21

Coexistence and interfacial properties of a triangle-well (TW) fluid are obtained with the aim of mimicking the Lennard-Jones (LJ) potential and approach the properties of noble gases. For this purpose, the scope of the TW is varied to match vapor-liquid densities and surface tension. Surface tension and coexistence curves of TW systems with different ranges were calculated with replica exchange Monte Carlo and compared to those data previously reported in the literature for truncated and shifted (STS), truncated (ST), and full Lennard-Jones (full-LJ) potentials. We observed that the scope of the TW potential must be increased to approach the STS, ST, and full-LJ properties. In spite of the simplicity of TW expression, a remarkable agreement is found. Furthermore, the variable scope of the TW allows for a good match of the experimental data of argon and xenon.

Isolevuglandin adducts in disease.

PubMed

Salomon, Robert G; Bi, Wenzhao

2015-06-20

A diverse family of lipid-derived levulinaldehydes, isolevuglandins (isoLGs), is produced by rearrangement of endoperoxide intermediates generated through both cyclooxygenase (COX) and free radical-induced cyclooxygenation of polyunsaturated fatty acids and their phospholipid esters. The formation and reactions of isoLGs with other biomolecules has been linked to alcoholic liver disease, Alzheimer's disease, age-related macular degeneration, atherosclerosis, cardiac arythmias, cancer, end-stage renal disease, glaucoma, inflammation of allergies and infection, mitochondrial dysfunction, multiple sclerosis, and thrombosis. This review chronicles progress in understanding the chemistry of isoLGs, detecting their production in vivo and understanding their biological consequences. IsoLGs have never been isolated from biological sources, because they form adducts with primary amino groups of other biomolecules within seconds. Chemical synthesis enabled investigation of isoLG chemistry and detection of isoLG adducts present in vivo. The first peptide mapping and sequencing of an isoLG-modified protein present in human retina identified the modification of a specific lysyl residue of the sterol C27-hydroxylase Cyp27A1. This residue is preferentially modified by iso[4]LGE2 in vitro, causing loss of function. Adduction of less than one equivalent of isoLG can induce COX-associated oligomerization of the amyloid peptide Aβ1-42. Adduction of isoLGE2 to phosphatidylethanolamines causes gain of function, converting them into proinflammatory isoLGE2-PE agonists that foster monocyte adhesion to endothelial cells. Among the remaining questions on the biochemistry of isoLGs are the dependence of biological activity on isoLG isomer structure, the structures and mechanism of isoLG-derived protein-protein and DNA-protein cross-link formation, and its biological consequences.

Study of the injection molding of a polarizing beam splitter.

PubMed

Jose de Carvalho, Edson; Braga, Edmundo da Silva; Cescato, Lucila H

2006-01-01

We describe the replication of a relief grating that behaves like a polarizing beam splitter by injection molding. Measurements of the grating master, nickel shim, and replica, performed by atomic force microscopy, allow establishing a limit for the injection molding technique (currently used in CD fabrication) to aspect ratios of approximately 0.15. Although this limit strongly reduces the diffraction efficiency of the elements as well as their polarizing properties, extinction ratios of approximately 10:1 were measured for the replicas in a large range of wavelengths.

Fluid dynamic study in a femoral artery branch casting of man with upstream main lumen curvature for steady flow

NASA Technical Reports Server (NTRS)

Cho, Y. I.; Back, L. H.; Back, M. R.

1985-01-01

An in-vitro, steady flow investigation was conducted in a hollow, transparent vascular replica of the profunda femoris branch of man for a range of physiological flow conditions. The replica casting tested was obtained from a human cadaver and indicated some plague formation along the main lumen and branch. The flow visualization observations and measured pressure distributions indicated the highly three-dimensional flow characteristics with arterial curvature and branching, and the important role of centrifugal effects in fluid transport mechanisms.

Replicas of Snoopy and Charlie Brown decorate top of console in MCC

NASA Image and Video Library

1969-05-18

S69-34314 (18 May 1969) --- Replicas of Snoopy and Charlie Brown, the two characters from Charles Schulz's syndicated comic strip, "Peanuts," decorate the top of a console in the Mission Operations Control Room in the Mission Control Center, Building 30, on the first day of the Apollo 10 lunar orbit mission. During lunar orbit operations, the Lunar Module will be called ?Snoopy? when it is separated from the Command and Service Modules. The code words for the Command Module will be ?Charlie Brown?.

Isobaric molecular dynamics version of the generalized replica exchange method (gREM): Liquid–vapor equilibrium

DOE PAGES

Malolepsza, Edyta; Secor, Maxim; Keyes, Tom

2015-09-23

A prescription for sampling isobaric generalized ensembles with molecular dynamics is presented and applied to the generalized replica exchange method (gREM), which was designed for simulating first-order phase transitions. The properties of the isobaric gREM ensemble are discussed and a study is presented of the liquid-vapor equilibrium of the guest molecules given for gas hydrate formation with the mW water model. As a result, phase diagrams, critical parameters, and a law of corresponding states are obtained.

NASA STS-132 Air and Space Museum

NASA Image and Video Library

2010-07-26

STS-132 astronaut Piers Sellers, left, and Dr. John Mather are seen with a replica of Mather's Nobel Prize, Tuesday, July 27, 2010, at the Smithsonian National Air and Space Museum in Washington. Sellers returned the replica that is in the museum's collection and was flown aboard STS-132 Atlantis. The prize was won by Mather and University of California, Berkeley researcher George Smoot in 2006 for their work using the Cosmic Background Explorer Satellite to understand the big-bang theory of the universe. Photo Credit: (NASA/Paul E. Alers)

Wavefront reversal technique for self-referencing collimation testing

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

Hii, King Ung; Kwek, Kuan Hiang

2010-02-01

We present a wavefront reversal technique to produce a dual-field fringe pattern for self-referencing collimation testing in wedge-plate lateral-shear interferometry. The method requires only a suitably placed cubic beam splitter to produce two replicas of the fringe field formed by the wedge-plate lateral-shear interferometer. One of the replicas has a fringe pattern that is the reverse of the other. With these two fringe fields, the collimation testing has a built-in reference, and the detection sensitivity is twice that of a single-wedge-plate technique.

ASSIP Study of Real-Time Safety-Critical Embedded Software-Intensive System Engineering Practices

DTIC Science & Technology

2008-02-01

and assessment 2. product engineering processes 3. tooling processes 6 | CMU/SEI-2008-SR-001 Slide 1 Process Standards IEC/ ISO 12207 Software...and technical effort to align with 12207 IEC/ ISO 15026 System & Software Integrity Levels Generic Safety SAE ARP 4754 Certification Considerations...Process Frameworks in revision – ISO 9001, ISO 9004 – ISO 15288/ ISO 12207 harmonization – RTCA DO-178B, MOD Standard UK 00-56/3, … • Methods & Tools

ANSI-ASQ National Accreditation Board /ACLASS

DTIC Science & Technology

2011-03-28

unclassified c. THIS PAGE unclassified Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39-18  Laboratories – ISO / IEC 17025  Inspection...Bodies – ISO / IEC 17020  RMPs – ISO Guide 34 (Reference Materials)  PT Providers – ISO 17043  Product Certifiers – ISO Guide 65  Government...Programs: DoD ELAP, EPA Energy Star, CPSC Toy Safety, NRC, NIST IPV6, NLLAP, NEFAP  TRAINING Programs  Certification Bodies – ISO / IEC 17021

Benchmarking Software Assurance Implementation

DTIC Science & Technology

2011-05-18

product The chicken#. (a.k.a. Process Focused Assessment ) – Management Systems ( ISO 9001, ISO 27001 , ISO 2000) – Capability Maturity Models (CMMI...Assurance PRM, RMM, Assurance for CMMI)) – Lifecycle Processes ( ISO /IEEE 15288, ISO /IEEE 12207) – COBIT, ITIL, MS SDL, OSAMM, BSIMM 5 The egg...a.k.a Product Focused Assessments) – SCAP - NIST-SCAP – ISO /OMG W3C – KDM, BPMN, RIF, XMI, RDF – OWASP Top 10 – SANS TOP 25 – Secure Code Check Lists

75 FR 29530 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-26

...: ER07-397-005. Applicants: ISO New England Inc. and New England Power Pool. Description: ISO New England Inc et. al submit revision to Section III.13 of the ISO Tariff in response to the compliance... Independent System Operator Corporation submits amendments to the ISO's amendment to the ISO Tariff filed on 3...

Phase behavior of model ABC triblock copolymers

NASA Astrophysics Data System (ADS)

Chatterjee, Joon

The phase behavior of poly(isoprene-b-styrene- b-ethylene oxide) (ISO), a model ABC triblock copolymer has been studied. This class of materials exhibit self-assembly, forming a large array of ordered morphologies at length scales of 5-100 nm. The formation of stable three-dimensionally continuous network morphologies is of special interest in this study. Since these nanostructures considerably impact the material properties, fundamental knowledge for designing ABC systems have high technological importance for realizing applications in the areas of nanofabrication, nanoporous media, separation membranes, drug delivery and high surface area catalysts. A comprehensive framework was developed to describe the phase behavior of the ISO triblock copolymers at weak to intermediate segregation strengths spanning a wide range of composition. Phases were characterized through a combination of characterization techniques, including small angle x-ray scattering, dynamic mechanical spectroscopy, transmission electron microscopy, and birefringence measurements. Combined with previous investigations on ISO, six different stable ordered state symmetries have been identified: lamellae (LAM), Fddd orthorhombic network (O70), double gyroid (Q230), alternating gyroid (Q214), hexagonal (HEX), and body-centered cubic (BCC). The phase map was found to be somewhat asymmetric around the fI = fO isopleth. This work provides a guide for theoretical studies and gives insight into the intricate effects of various parameters on the self-assembly of ABC triblock copolymers. Experimental SAXS data evaluated with a simple scattering intensity model show that local mixing varies continuously across the phase map between states of two- and three-domain segregation. Strategies of blending homopolymers with ISO triblock copolymer were employed for studying the swelling properties of a lamellar state. Results demonstrate that lamellar domains swell or shrink depending upon the type of homopolymer that was mixed. The results provide insight into the chain conformation of ABC triblock copolymers, where the B blocks are completely bridged across the adjacent A and C domains. In the final part of the thesis, the swelling properties were used to study the directed assembly of ABC triblock copolymers on chemically nanopatterned surfaces.

Titer improvement of iso-migrastatin in selected heterologous Streptomyces hosts and related analysis of mRNA expression by quantitative RT–PCR

PubMed Central

Yang, Dong; Zhu, Xiangcheng; Wu, Xueyun; Feng, Zhiyang; Huang, Lei; Shen, Ben; Xu, Zhinan

2011-01-01

iso-Migrastatin (iso-MGS) has been actively pursued recently as an outstanding candidate of antimetastasis agents. Having characterized the iso-MGS biosynthetic gene cluster from its native producer Streptomyces platensis NRRL 18993, we have recently succeeded in producing iso-MGS in five selected heterologous Streptomyces hosts, albeit the low titers failed to meet expectations and cast doubt on the utility of this novel technique for large-scale production. To further explore and capitalize on the production capacity of these hosts, a thorough investigation of these five engineered strains with three fermentation media for iso-MGS production was undertaken. Streptomyces albus J1074 and Streptomyces lividans K4-114 were found to be preferred heterologous hosts, and subsequent analysis of carbon and nitrogen sources revealed that sucrose and yeast extract were ideal for iso-MGS production. After the initial optimization, the titers of iso-MGS in all five hosts were considerably improved by 3–18-fold in the optimized R2YE medium. Furthermore, the iso-MGS titer of S. albus J1074 (pBS11001) was significantly improved to 186.7 mg/L by a hybrid medium strategy. Addition of NaHCO3 to the latter finally afforded an optimized iso-MGS titer of 213.8 mg/L, about 5-fold higher than the originally reported system. With S. albus J1074 (pBS11001) as a model host, the expression of iso-MGS gene cluster in four different media was systematically studied via the quantitative RT–PCR technology. The resultant comparison revealed the correlation of gene expression and iso-MGS production for the first time; synchronous expression of the whole gene cluster was crucial for optimal iso-MGS production. These results reveal new insights into the iso-MGS biosynthetic machinery in heterologous hosts and provide the primary data to realize large-scale production of iso-MGS for further preclinical studies. PMID:21132287

Aquimarina longa sp. nov., isolated from seawater, and emended description of Aquimarina muelleri.

PubMed

Yu, Tong; Yin, Qi; Song, Xiangyu; Zhao, Rui; Shi, Xiaochong; Zhang, Xiao-Hua

2013-04-01

A novel Gram-stain-negative, rod-shaped, non-flagellated, strictly aerobic strain with gliding motility, designated SW024(T), was isolated from surface seawater of the South Pacific Gyre (26° 29' S 137° 56' W) during the Integrated Ocean Drilling Program Expedition 329. Phylogenetic analyses based on 16S rRNA gene sequences showed that the novel strain was related most closely to Aquimarina muelleri KMM 6020(T), Aquimarina macrocephali JAMB N27(T), Aquimarina addita JC2680(T), Aquimarina mytili PSC33(T), Aquimarina intermedia KMM 6258(T), Aquimarina latercula ATCC 23177(T), Aquimarina spongiae A6(T), Aquimarina agarilytica ZC1(T) and Aquimarina brevivitae SMK-19(T) (96.1, 95.5, 95.0, 94.4, 94.3, 94.0, 93.4, 93.3 and 93.2 % similarities, respectively), demonstrating that the novel strain belonged to the genus Aquimarina. The DNA G+C content of strain SW024(T) was 30.8 mol%. The major respiratory quinone of strain SW024(T) was MK-6. The dominant fatty acids were iso-C15 : 0, iso-C17 : 0 3-OH, iso-C15 : 1 G, C16 : 0 10-methyl and/or iso-C17 : 1ω9c, and iso-C15 : 0 3-OH. The polar lipids of strain SW024(T) were phosphatidylethanolamine, three unknown aminolipids and five unknown polar lipids. On the basis of combined phenotypic and phylogenetic analyses, strain SW024(T) represents a novel species of the genus Aquimarina, for which the name Aquimarina longa sp. nov. is proposed. The type strain is SW024(T) ( = CGMCC 1.11007(T) = JCM 17859(T)). An emended description of A. muelleri is also proposed.

Software Assurance in Acquisition: Mitigating Risks to the Enterprise. A Reference Guide for Security-Enhanced Software Acquisition and Outsourcing

DTIC Science & Technology

2009-02-01

management, available at <http://www.iso.org/ iso /en/CatalogueDetailPage.CatalogueDetail?CSNUMBER=39612&ICS1=35&ICS2=40 &ICS3=>. ISO /IEC 27001 . Information...Management of the Systems Engineering Process. [ ISO /IEC 27001 ] ISO /IEC 27001 :2005. Information technology -- Security techniques -- Information security...software life cycles [ ISO /IEC 15026]. Software assurance is a key element of national security and homeland security. It is critical because dramatic

The neuroprotective effects of α-iso-cubebene on dopaminergic cell death: involvement of CREB/Nrf2 signaling.

PubMed

Park, Sun Young; Son, Beung Gu; Park, Young Hoon; Kim, Cheol-Min; Park, Geuntae; Choi, Young-Whan

2014-09-01

As a part of ongoing studies to elucidate pharmacologically active components of Schisandra chinensis, we isolated and studied α-iso-cubebene. The neuroprotective mechanisms of α-iso-cubebene in human neuroblastoma SH-SY5Y cells were investigated. α-Iso-cubebene significantly inhibited cytotoxicity and apoptosis due to 6-hydroxydopamine (6-OHDA)-induced neurotoxicity in dopaminergic SH-SY5Y cells. Pretreatment of cells with α-iso-cubebene reduced intracellular accumulation of ROS and calcium in response to 6-OHDA. The neuroprotective effects of α-iso-cubebene were found to result from protecting the mitochondrial membrane potential. Notably, α-iso-cubebene inhibited the release of apoptosis-inducing factor from the mitochondria into the cytosol and nucleus after 6-OHDA treatment. α-Iso-cubebene also induced the activation of PKA/PKB/CREB/Nrf2 and suppressed 6-OHDA-induced neurotoxicity. α-Iso-cubebene was found to induce phosphorylation of PKA and PKB and activate Nrf2 and CREB signaling pathways in a dose-dependent manner. Additionally, α-iso-cubebene stimulated the expression of the antioxidant response genes NQO1 and HO-1. Finally, α-iso-cubebene-mediated neuroprotective effects were found to be reversible after transfection with CREB and Nrf2 small interfering RNAs.

A Global Photoionization Response to Prompt Emission and Outliers: Different Origin of Long Gamma-ray Bursts?

NASA Astrophysics Data System (ADS)

Wang, J.; Xin, L. P.; Qiu, Y. L.; Xu, D. W.; Wei, J. Y.

2018-03-01

By using the line ratio C IV λ1549/C II λ1335 as a tracer of the ionization ratio of the interstellar medium (ISM) illuminated by a long gamma-ray burst (LGRB), we identify a global photoionization response of the ionization ratio to the photon luminosity of the prompt emission assessed by either L iso/E peak or {L}iso}/{E}peak}2. The ionization ratio increases with both L iso/E peak and L iso/E 2 peak for a majority of the LGRBs in our sample, although there are a few outliers. The identified dependence of C IV/C II on {L}iso}/{E}peak}2 suggests that the scatter of the widely accepted Amati relation is related to the ionization ratio in the ISM. The outliers tend to have relatively high C IV/C II values as well as relatively high C IV λ1549/Si IV λ1403 ratios, which suggests an existence of Wolf–Rayet stars in the environment of these LGRBs. We finally argue that the outliers and the LGRBs following the identified C IV/C II‑L iso/E peak ({L}iso}/{E}peak}2) correlation might come from different progenitors with different local environments.

75 FR 8321 - Notice of Attendance at Nepool Meetings

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-24

... meeting information, see http://www.iso-ne.com/committees/comm_wkgrps/index.html . The discussions at each.... ER07-397, ISO New England Inc. and the New England Power Pool Participants Committee Docket No. ER08-633, ISO New England Inc. Docket No. ER08-830, ISO New England Inc. Docket No. ER08-1209, ISO New...

CMMI(Registered) for Development, Version 1.3

DTIC Science & Technology

2010-11-01

ISO /IEC 15288:2008 Systems and Software Engineering – System Life Cycle Processes [ ISO 2008b] ISO /IEC 27001 :2005 Information technology – Security...IEC 2005 International Organization for Standardization and International Electrotechnical Commission. ISO /IEC 27001 Information Technology...International Electrotechnical Commission ( ISO /IEC) body of standards. CMMs focus on improving processes in an organization. They contain the

CMMI(Registered) for Services, Version 1.3

DTIC Science & Technology

2010-11-01

ISO 2008b] ISO /IEC 27001 :2005 Information technology – Security techniques – Information Security Management Systems – Requirements [ ISO /IEC 2005...Commission. ISO /IEC 27001 Information Technology – Security Techniques – Information Security Management Systems – Requirements, 2005. http...CMM or International Organization for Standardization ( ISO ) 9001, you will immediately recognize many similarities in their structure and content

75 FR 7581 - RTO/ISO Performance Metrics; Notice Requesting Comments on RTO/ISO Performance Metrics

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-22

... performance communicate about the benefits of RTOs and, where appropriate, (2) changes that need to be made to... of staff from all the jurisdictional ISOs/RTOs to develop a set of performance metrics that the ISOs/RTOs will use to report annually to the Commission. Commission staff and representatives from the ISOs...

Implementing the DoD Joint Operation Planning Process for Private Industry Enterprise Security

DTIC Science & Technology

2011-09-01

Standards Organization’s ( ISO ) ISO 27001 ( ISO 27002 defines the controls), and the IT Service Management Forum’s Information Technology Infrastructure...27001 certification. 24 Alberto Bastos and Rosangela Caubit, ISO 27001 and 27002 : Information...includes: 90,000 records lost from Booz Allen Hamilton; 90,000,000 26 ISO /IEC 27002 , 19 December

Electrochemical and spectroscopic study on the interaction between isoprenaline and DNA using multivariate curve resolution-alternating least squares.

PubMed

Ni, Yongnian; Wei, Min; Kokot, Serge

2011-11-01

Interaction of isoprenaline (ISO) with calf-thymus DNA was studied by spectroscopic and electrochemical methods. The behavior of ISO was investigated at a glassy carbon electrode (GCE) by cyclic voltammetry (CV) and differential pulse stripping voltammetry (DPSV); ISO was oxidized and an irreversible oxidation peak was observed. The binding constant K and the stoichiometric coefficient m of ISO with DNA were evaluated. Also, with the addition of DNA, hyperchromicity of the UV-vis absorption spectra of ISO was noted, while the fluorescence intensity decreased significantly. Multivariate curve resolution-alternating least squares (MCR-ALS) chemometrics method was applied to resolve the combined spectroscopic data matrix, which was obtained by the UV-vis and fluorescence methods. Pure spectra of ISO, DNA and ISO-DNA complex, and their concentration profiles were then successfully obtained. The results indicated that the ISO molecule intercalated into the base-pairs of DNA, and the complex of ISO-DNA was formed. Copyright © 2011 Elsevier B.V. All rights reserved.

Homogeneous double-layer amorphous Si-doped indium oxide thin-film transistors for control of turn-on voltage

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

Kizu, Takio, E-mail: KIZU.Takio@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Tsukagoshi, Kazuhito, E-mail: KIZU.Takio@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Aikawa, Shinya

We fabricated homogeneous double-layer amorphous Si-doped indium oxide (ISO) thin-film transistors (TFTs) with an insulating ISO cap layer on top of a semiconducting ISO bottom channel layer. The homogeneously stacked ISO TFT exhibited high mobility (19.6 cm{sup 2}/V s) and normally-off characteristics after annealing in air. It exhibited normally-off characteristics because the ISO insulator suppressed oxygen desorption, which suppressed the formation of oxygen vacancies (V{sub O}) in the semiconducting ISO. Furthermore, we investigated the recovery of the double-layer ISO TFT, after a large negative shift in turn-on voltage caused by hydrogen annealing, by treating it with annealing in ozone. The recoverymore » in turn-on voltage indicates that the dense V{sub O} in the semiconducting ISO can be partially filled through the insulator ISO. Controlling molecule penetration in the homogeneous double layer is useful for adjusting the properties of TFTs in advanced oxide electronics.« less

Growth rate effects on the formation of dislocation loops around deep helium bubbles in Tungsten

DOE PAGES

Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.; ...

2016-11-15

Here, the growth process of spherical helium bubbles located 6 nm below a (100) surface is studied using molecular dynamics and parallel replica dynamics simulations, over growth rates from 10 6 to 10 12 helium atoms per second. Slower growth rates lead to a release of pressure and lower helium content as compared with fast growth cases. In addition, at slower growth rates, helium bubbles are not decorated by multiple dislocation loops, as these tend to merge or emit given sufficient time. At faster rates, dislocation loops nucleate faster than they can emit, leading to a more complicated dislocation structuremore » around the bubble.« less

Aseptic Laboratory Techniques: Plating Methods

PubMed Central

Sanders, Erin R.

2012-01-01

Microorganisms are present on all inanimate surfaces creating ubiquitous sources of possible contamination in the laboratory. Experimental success relies on the ability of a scientist to sterilize work surfaces and equipment as well as prevent contact of sterile instruments and solutions with non-sterile surfaces. Here we present the steps for several plating methods routinely used in the laboratory to isolate, propagate, or enumerate microorganisms such as bacteria and phage. All five methods incorporate aseptic technique, or procedures that maintain the sterility of experimental materials. Procedures described include (1) streak-plating bacterial cultures to isolate single colonies, (2) pour-plating and (3) spread-plating to enumerate viable bacterial colonies, (4) soft agar overlays to isolate phage and enumerate plaques, and (5) replica-plating to transfer cells from one plate to another in an identical spatial pattern. These procedures can be performed at the laboratory bench, provided they involve non-pathogenic strains of microorganisms (Biosafety Level 1, BSL-1). If working with BSL-2 organisms, then these manipulations must take place in a biosafety cabinet. Consult the most current edition of the Biosafety in Microbiological and Biomedical Laboratories (BMBL) as well as Material Safety Data Sheets (MSDS) for Infectious Substances to determine the biohazard classification as well as the safety precautions and containment facilities required for the microorganism in question. Bacterial strains and phage stocks can be obtained from research investigators, companies, and collections maintained by particular organizations such as the American Type Culture Collection (ATCC). It is recommended that non-pathogenic strains be used when learning the various plating methods. By following the procedures described in this protocol, students should be able to: ● Perform plating procedures without contaminating media. ● Isolate single bacterial colonies by the streak-plating method. ● Use pour-plating and spread-plating methods to determine the concentration of bacteria. ● Perform soft agar overlays when working with phage. ● Transfer bacterial cells from one plate to another using the replica-plating procedure. ● Given an experimental task, select the appropriate plating method. PMID:22617405

Replica exchange molecular dynamics simulations provide insight into substrate recognition by small heat shock proteins.

PubMed

Patel, Sunita; Vierling, Elizabeth; Tama, Florence

2014-06-17

The small heat shock proteins (sHSPs) are a virtually ubiquitous and diverse group of molecular chaperones that can bind and protect unfolding proteins from irreversible aggregation. It has been suggested that intrinsic disorder of the N-terminal arm (NTA) of sHSPs is important for substrate recognition. To investigate conformations of the NTA that could recognize substrates we performed replica exchange molecular dynamics simulations. Behavior at normal and stress temperatures of the dimeric building blocks of dodecameric HSPs from wheat (Ta16.9) and pea (Ps18.1) were compared because they display high sequence similarity, but Ps18.1 is more efficient in binding specific substrates. In our simulations, the NTAs of the dimer are flexible and dynamic; however, rather than exhibiting highly extended conformations they retain considerable α-helical character and contacts with the conserved α-crystallin domain (ACD). Network analysis and clustering methods reveal that there are two major conformational forms designated either "open" or "closed" based on the relative position of the two NTAs and their hydrophobic solvent accessible surface area. The equilibrium constant for the closed to open transition is significantly different for Ta16.9 and Ps18.1, with the latter showing more open conformations at elevated temperature correlated with its more effective chaperone activity. In addition, the Ps18.1 NTAs have more hydrophobic solvent accessible surface than those of Ta16.9. NTA hydrophobic patches are comparable in size to the area buried in many protein-protein interactions, which would enable sHSPs to bind early unfolding intermediates. Reduced interactions of the Ps18.1 NTAs with each other and with the ACD contribute to the differences in dynamics and hydrophobic surface area of the two sHSPs. These data support a major role for the conformational equilibrium of the NTA in substrate binding and indicate features of the NTA that contribute to sHSP chaperone efficiency. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Intraseasonal oscillation features of the South China Sea summer monsoon and its response to abnormal MJO in the tropical Indian Ocean

NASA Astrophysics Data System (ADS)

Li, Ting

2014-05-01

This paper analyzes Intraseasonal Oscillation (ISO) features and inter-annual differences of the South China Sea (SCS) Summer Monsoon (SCSSM), evolution of its Low Frequency (LF) circulation and convection fields and precipitation anomalies, and path of ISO propagation, as well as impact of MJO in tropical Indian Ocean on SCSSM ISO during 1979-2008. It is found that (1) The SCSSM ISO goes through six phases (exclusive of the weak phase) at every complete fluctuation: developing, strongest, weakening, restraining, weakest and recovering phase. Due to tropical LF convection propagating eastward and northward, the LF convection and circulation in the 1st-3rd and 4th-6th phases present the anti-phase in the Arabian Sea-West Pacific zonal band. Its corresponding rainy bands also present anti-phase roughly. The rainy band moves eastward with LF convection mainly in tropical regions in the south of 20° N, while moves northward in East Asia subtropical regions in the north of 20° N. (2) The SCSSM ISO intensity presents significant inter-annual difference. There are three stronger ISO in the stronger SCSSM ISO years. The first two oscillations propagates from the tropical Indian Ocean to the Bay of Bengal firstly, and then to SCS along the 10° -20° N zonal direction, stimulates the ISO to propagate to South China, forming a relay propagation path in meridional-zonal direction. Moreover, in the weaker SCSSM ISO years, the ISO weakens greatly and irregularly. In averaged conditions, the ISO propagates from tropical Indian Ocean to the SCS by about 20 days (one half ISO periods). (3) MJO1 (the first modal of MJO index provided by the Climate Prediction Center) averaged value in the 1st-2nd pentads of April has the negative correlation with the SCSSM ISO intensity. When MJO in tropical Indian Ocean is more active in the 1st-2nd pentads of April, it is stronger in the subsequent May to August, and the ISO also propagates strongly to the SCS, so that the SCSSM ISO strengthens. Conversely, the SCSSM ISO weakens. The abnormal MJO in the 1st-2nd pentads of April contributes to a certain theory basis to predict the subsequent SCSSM ISO intensity and analyze the abnormal rainfall in related regions.

Progress in mask replication using jet and flash imprint lithography

NASA Astrophysics Data System (ADS)

Selinidis, Kosta S.; Brooks, Cynthia B.; Doyle, Gary F.; Brown, Laura; Jones, Chris; Imhof, Joseph; LaBrake, Dwayne L.; Resnick, Douglas J.; Sreenivasan, S. V.

2011-04-01

The Jet and Flash Imprint Lithography (J-FILTM) process uses drop dispensing of UV curable resists to assist high resolution patterning for subsequent dry etch pattern transfer. The technology is actively being used to develop solutions for memory markets including Flash memory and patterned media for hard disk drives. It is anticipated that the lifetime of a single template (for patterned media) or mask (for semiconductor) will be on the order of 104 - 105imprints. This suggests that tens of thousands of templates/masks will be required to satisfy the needs of a manufacturing environment. Electron-beam patterning is too slow to feasibly deliver these volumes, but instead can provide a high quality "master" mask which can be replicated many times with an imprint lithography tool. This strategy has the capability to produce the required supply of "working" templates/masks. In this paper, we review the development of the mask form factor, imprint replication tools and processes specifically for semiconductor applications. The requirements needed for semiconductors dictate the need for a well defined form factor for both master and replica masks which is also compatible with the existing mask infrastructure established for the 6025 semi standard, 6" x 6" x 0.25" photomasks. Complying with this standard provides the necessary tooling needed for mask fabrication processes, cleaning, metrology, and inspection. The replica form factor has additional features specific to imprinting such as a pre-patterned mesa. A PerfectaTM MR5000 mask replication tool has been developed specifically to pattern replica masks from an e-beam written master. The system specifications include a throughput of four replicas per hour with an added image placement component of 5nm, 3sigma and a critical dimension uniformity error of less than 1nm, 3sigma. A new process has been developed to fabricate replicas with high contrast alignment marks so that designs for imprint can fit within current device layouts and maximize the usable printed area on the wafer. Initial performance results of this marks are comparable to the baseline fused silica align marks.

The Effect of Interfacial Chemical Bonding in TiO2-SiO2 Composites on Their Photocatalytic NOx Abatement Performance

PubMed Central

Hakki, Amer; Yang, Lu; Wang, Fazhou; Macphee, Donald E.

2017-01-01

The chemical bonding of particulate photocatalysts to supporting material surfaces is of great importance in engineering more efficient and practical photocatalytic structures. However, the influence of such chemical bonding on the optical and surface properties of the photocatalyst and thus its photocatalytic activity/reaction selectivity behavior has not been systematically studied. In this investigation, TiO2 has been supported on the surface of SiO2 by means of two different methods: (i) by the in situ formation of TiO2 in the presence of sand quartz via a sol-gel method employing tetrabutyl orthotitanium (TBOT); and (ii) by binding the commercial TiO2 powder to quartz on a surface silica gel layer formed from the reaction of quartz with tetraethylorthosilicate (TEOS). For comparison, TiO2 nanoparticles were also deposited on the surfaces of a more reactive SiO2 prepared by a hydrolysis-controlled sol-gel technique as well as through a sol-gel route from TiO2 and SiO2 precursors. The combination of TiO2 and SiO2, through interfacial Ti-O-Si bonds, was confirmed by FTIR spectroscopy and the photocatalytic activities of the obtained composites were tested for photocatalytic degradation of NO according to the ISO standard method (ISO 22197−1). The electron microscope images of the obtained materials showed that variable photocatalyst coverage of the support surface can successfully be achieved but the photocatalytic activity towards NO removal was found to be affected by the preparation method and the nitrate selectivity is adversely affected by Ti-O-Si bonding. PMID:28715384

[Nine-Year Experience after ISO 15189 Acquisition, How Successful was It? Focusing on the Results of Interviews and Questionnaires].

PubMed

Fujimoto, Kazumitsu; Asai, Noriaki; Nakajima, Yoshinaga; Inoue, Kaoru

2015-11-01

Our laboratory, for the purpose of Quality Management System (QMS) improvement, acquired ISO 15189:2003 accreditation 9 years ago and completed the renewal to ISO 15189:2012 last year. In this study, we reviewed the efficacy of ISO 15189 based on an analysis of laboratory director's and managers' opinions. We could realize QMS improvement through the proactive implementation of preventive and corrective actions, and also the continuous implementation of education and delivery by means of reviewing the interview records of ISO 15189:2012 renewal with the laboratory director. All answers to the questionnaire obtained from managers with regard to the advantages of ISO 15189 acquisition agreed with the purpose of ISO 15189. From these results, we concluded that ISO 15189 acquisition was successful for QMS improvement. [Review].

Characterization of fracture aperture for groundwater flow and transport

NASA Astrophysics Data System (ADS)

Sawada, A.; Sato, H.; Tetsu, K.; Sakamoto, K.

2007-12-01

This paper presents experiments and numerical analyses of flow and transport carried out on natural fractures and transparent replica of fractures. The purpose of this study was to improve the understanding of the role of heterogeneous aperture patterns on channelization of groundwater flow and dispersion in solute transport. The research proceeded as follows: First, a precision plane grinder was applied perpendicular to the fracture plane to characterize the aperture distribution on a natural fracture with 1 mm of increment size. Although both time and labor were intensive, this approach provided a detailed, three dimensional picture of the pattern of fracture aperture. This information was analyzed to provide quantitative measures for the fracture aperture distribution, including JRC (Joint Roughness Coefficient) and fracture contact area ratio. These parameters were used to develop numerical models with corresponding synthetic aperture patterns. The transparent fracture replica and numerical models were then used to study how transport is affected by the aperture spatial pattern. In the transparent replica, transmitted light intensity measured by a CCD camera was used to image channeling and dispersion due to the fracture aperture spatial pattern. The CCD image data was analyzed to obtain the quantitative fracture aperture and tracer concentration data according to Lambert-Beer's law. The experimental results were analyzed using the numerical models. Comparison of the numerical models to the transparent replica provided information about the nature of channeling and dispersion due to aperture spatial patterns. These results support to develop a methodology for defining representative fracture aperture of a simplified parallel fracture model for flow and transport in heterogeneous fractures for contaminant transport analysis.

Acoustic sources of opportunity in the marine environment - Applied to source localization and ocean sensing

NASA Astrophysics Data System (ADS)

Verlinden, Christopher M.

Controlled acoustic sources have typically been used for imaging the ocean. These sources can either be used to locate objects or characterize the ocean environment. The processing involves signal extraction in the presence of ambient noise, with shipping being a major component of the latter. With the advent of the Automatic Identification System (AIS) which provides accurate locations of all large commercial vessels, these major noise sources can be converted from nuisance to beacons or sources of opportunity for the purpose of studying the ocean. The source localization method presented here is similar to traditional matched field processing, but differs in that libraries of data-derived measured replicas are used in place of modeled replicas. In order to account for differing source spectra between library and target vessels, cross-correlation functions are compared instead of comparing acoustic signals directly. The library of measured cross-correlation function replicas is extrapolated using waveguide invariant theory to fill gaps between ship tracks, fully populating the search grid with estimated replicas allowing for continuous tracking. In addition to source localization, two ocean sensing techniques are discussed in this dissertation. The feasibility of estimating ocean sound speed and temperature structure, using ship noise across a drifting volumetric array of hydrophones suspended beneath buoys, in a shallow water marine environment is investigated. Using the attenuation of acoustic energy along eigenray paths to invert for ocean properties such as temperature, salinity, and pH is also explored. In each of these cases, the theory is developed, tested using numerical simulations, and validated with data from acoustic field experiments.

A Strategy for Improved System Assurance

DTIC Science & Technology

2007-06-20

Quality (Measurements Life Cycle Safety, Security & Others) ISO /IEC 12207 * Software Life Cycle Processes ISO 9001 Quality Management System...14598 Software Product Evaluation Related ISO /IEC 90003 Guidelines for the Application of ISO 9001:2000 to Computer Software IEEE 12207 Industry...Implementation of International Standard ISO /IEC 12207 IEEE 1220 Standard for Application and Management of the System Engineering Process Use in

Isoguanine and 5-Methyl-Isocytosine Bases, In Vitro and In Vivo

PubMed Central

Bande, Omprakash; Abu El Asrar, Rania; Braddick, Darren; Dumbre, Shrinivas; Pezo, Valérie; Schepers, Guy; Pinheiro, Vitor B; Lescrinier, Eveline; Holliger, Philipp; Marlière, Philippe; Herdewijn, Piet

2015-01-01

The synthesis, base-pairing properties and in vitro and in vivo characteristics of 5-methyl-isocytosine (isoCMe) and isoguanine (isoG) nucleosides, incorporated in an HNA(h) (hexitol nucleic acid)–DNA(d) mosaic backbone, are described. The required h-isoG phosphoramidite was prepared by a selective deamination as a key step. As demonstrated by Tm measurements the hexitol sugar showed slightly better mismatch discrimination against dT. The d-isoG base mispairing follows the order T>G>C while the h-isoG base mispairing follows the order G>C>T. The h- and d-isoCMe bases mainly mispair with G. Enzymatic incorporation experiments show that the hexitol backbone has a variable effect on selectivity. In the enzymatic assays, isoG misincorporates mainly with T, and isoCMe misincorporates mainly with A. Further analysis in vivo confirmed the patterns of base-pair interpretation for the deoxyribose and hexitol isoCMe/isoG bases in a cellular context, through incorporation of the bases into plasmidic DNA. Results in vivo demonstrated that mispairing and misincorporation was dependent on the backbone scaffold of the base, which indicates rational advances towards orthogonality. PMID:25684598

Analysis of Surface Roughness at Overlapping Laser Shock Peening

NASA Astrophysics Data System (ADS)

Dai, F. Z.; Zhang, Z. D.; Zhou, J. Z.; Lu, J. Z.; Zhang, Y. K.

2016-02-01

The overlapping effects on surface roughness are studied when samples are treated by laser shock peening (LSP). Surface roughness of overlapped circular laser spot is calculated by ISO 25178 height parameters. The usually used overlapping styles namely isosceles-right-triangle-style (AAP) and equilateral-triangle-style (AAA) are carefully investigated when the overlapping degree in x-axis (ηx) is below 50%. Surface roughness of isosceles-right-triangle-style attains its minimum value at ηx of 29.3%, and attains its maximum value at ηx of 43.6%. Surface roughness of equilateral-triangle-style attains its minimum value at ηx of 42.3%, and attains its maximum value at ηx of 32%. Experimental results are well consistent with theoretical analysis.

Elevated plasma 8-iso-prostaglandin F2α levels in human smokers originate primarily from enzymatic instead of non-enzymatic lipid peroxidation.

PubMed

van 't Erve, Thomas J; Lih, Fred B; Kadiiska, Maria B; Deterding, Leesa J; Mason, Ronald P

2018-02-01

It is widely accepted that free radicals in tobacco smoke lead to oxidative stress and generate the popular lipid peroxidation biomarker 8-iso-prostaglandin F 2α (8-iso-PGF 2α ). However, 8-iso-PGF 2α can simultaneously be produced in vivo by the prostaglandin-endoperoxide synthases (PGHS) induced by inflammation. This inflammation-dependent mechanism has never been considered as a source of elevated 8-iso-PGF 2α in tobacco smokers. The goal of this study is to quantify the distribution of chemical- and PGHS-dependent 8-iso-PGF 2α formation in the plasma of tobacco smokers and non-smokers. The influences of gender and hormonal contraceptive use were accounted for. The distribution was determined by measuring the 8-iso-PGF 2α /prostaglandin F 2α (PGF 2α ) ratio. When comparing smokers (n = 28) against non-smokers (n = 30), there was a statistically significant increase in the 8-iso-PGF 2α concentration. The source of this increased 8-iso-PGF 2α was primarily from PGHS. When stratifying for gender, the increase in 8-iso-PGF 2α in male smokers (n = 9) was primarily from PGHS. Interestingly, female smokers on hormonal contraceptives had increased 8-iso-PGF 2α in both pathways, whereas those not on hormonal contraceptives did not have increased 8-iso-PGF 2α . In conclusion, increased plasma 8-iso-PGF 2α in tobacco smokers has complex origins, with PGHS-dependent formation as the primary source. Accounting for both pathways provides a definitive measurement of both oxidative stress and inflammation. Published by Elsevier Inc.

Elizabeth City, North Carolina. Limited Surface Observations Climatic Summary (LISOCS). Parts A-F.

DTIC Science & Technology

1988-03-01

7691 1 STATION NAME: ELIZABETH CITY NC PERIOD Of RECORD: 78-67 MONTH: JAN HOURSILSTI: ISO -1700 WIND SPEED IN KNOTS DIRECTION i 1-3 4-6 7-10 11-16 17...68.3 88.3 88.3 R8.3 88.3 88.3 88.3 88.3 GE 25001 33.9 73.C 81.0 84.3 87.9 87.9 88.3 88.7 88.7 88.7 88.7 88.7 88.7 88.7 88.7 88.7 0E 27001 33.9 73.4...30.038 29.976 29.929 29.960 29.969 29.978 30.000 30.013 30D4 30-068 30.09C 3U.009 16 ISO .276 .263 .268 .221 .157 .145 .123 .119 .128 .197 .208 .240

Cosmic water traced by Europe's space telescope ISO

NASA Astrophysics Data System (ADS)

1996-05-01

In retracing this history, ISO also observes water in the form of ice in cooler regions around the stars, and in the dust surrounding young stars, from which planets could evolve. Comets represent an intermediate stage in planet-building, and they contain much water ice. According to one hypothesis the newly formed Earth received some of its water directly from impacting comets. Water vapour in the Earth's atmosphere has prevented telescopes on the ground from detecting the water vapour among the stars, except in very unusual circumstances. ISO orbiting in space escapes the impediment of the atmosphere. Excellent onboard instruments register the characteristic infrared signatures of water vapour, water ice and many other materials. When ISO scrutinizes selected objects, it detects emissions or absorptions of infrared rays at particular wavelengths, or "lines" in a spectrum, which reveal the presence of identifiable atoms, molecules and solids. The Short Wavelength Specrometer and the Long Wavelength Spectrometer provide detailed chemical diagnoses, and the photometer ISOPHOT and camera ISOCAM also have important spectroscopic capabilities. Examples of water detection were among many topics reviewed at the First ISO Science Workshop held at ESA's Research and Technology Centre (ESTEC) in Noordwijk, the Netherlands (29-31 May) when 300 astronomers from Europe, the USA and Japan gathered to assess results from ISO since its launch on 17 November 1995. The Long Wavelength Spectrometer has made remarkable observations of water-vapour lines in the vicinity of dying stars and in star-forming regions. So has the Short Wavelength Spectrometer, which also detects water ice. The photometer lSOPHOT has registered water ice in a large number of objects. Although fascinated by the natural history of water in the cosmos, astronomers have more technical reasons for welcoming ISO's observations. They can use thc details in a spectrum to reduce the abundance of water and its physical circumstances. In the case of the newly forming star GL 2591 for example, frozen water has vaporized in the warmth of the star and risen to a temperature of about 30 degrces Celsius. The amount of water vapour, roughly 10 parts per million compared with hydrogen, is very high by cosmic standards. "Its remarkable abundance tells us that water plays an important part in the birth of stars," says Ewine van Dishoeck of Leiden Observatory, whose team of astronomers from the Netherlands and Sweden has used ISO's Short Wavelength Spectrometer in this work. "Stars form by the collapse of a cloud of gas and dust, but a build-up of heat inside the cloud makes the work of gravity harder, when it tries to compress the cloud. By radiating strongly in the infrared, water enables the cloud to shed heat very efficiently. This cooling function of water facilitates star formation. So here ISO gives us a new clue in astrophysics." An inventory of interstellar ice The spaces between the stars are very cold, so vapours like water condense and freeze on the surface of available grains, in the manner of frost in winter. They form part of the interstellar dust that darkens the visible sky and which ISO is thoroughly analysing for the first time. The Short Wavelength Spectrometer sees water ice in many settings, for example in NGC 7538, a cloud surrounding a newly forming star. Before ISO, ground-based telescopes had found frozen carbon monoxide and methanol (methyl alcohol) in interstellar space, as well as water ice. ISO observes all these ices much more clearly. It has also seen carbon dioxide ice and methane ice, which are undetectable from the ground. French astronomers have even distinguished ice containing heavy carbon-13, in the ISO data. The amounts of carbon dioxide and methane detected by ISO are surprising, and ices now account for a larger proportion of the carbon compounds drifting in space. Carbon dioxide ice ranks second to water ice in the vicinity of NGC 7538. Astronomers can start making a complete inventory of the frozen volatile materials in interstellar space and compare them with those found in the Solar System. "ISO gives us spectra of the kind we dust people used to dream of," says Doug Whittet of the Rensselaer Polytechnic Institute in Troy, New York, who leads a US-Dutch team using the Short Wavelength Spectrometer in this study."Our detection of carbon dioxide and methane in interstellar ices has implications for understanding the behaviour of comets, as well as the origin and evolution of life on Earth." Sand and soot among the stars Other components of the dust identified by ISO are mineral grains and large molecules built mainly of carbon and hydrogen, often called hydrocarbons for simplicity's sake. Here too there is a direct connection with the history of the Solar System and the Earth, because similar minerals and hydrocarbons turn up in meteorites and in comets, as analysed for example by ESA's Giotto mission to Halley's Comet in 1986. Silicate minerals, familiar as sand on the seashore. are the principal constituents of the solid Earth. Ground-based infrared telescopes have glimpsed the characteristic signatures of silicate grains in various interslellar settings, but again ISO has a better view. It has observed silicates and other minerals both in the vicinity of dead stars like the planetary nebula NGC 6302, and in disks of dust around young stars where new planets may be forming. In such protoplanetary disks, astronomers using ISO's Short Wavelength Spectrometer have confirmed the existence of a special form of silicon oxide. It was previously found in comets, and seen in interstellar space only with difficulty and uncertainty by ground-based telescopes. Other silicon oxides are widespread in the Galaxy in non-crystalline (amorphous) form. The special silicon oxide, which may be crystals, is possibly a symptom of planet-making in progress. Thanks especially to carbon compounds, the Universe is capable of supporting life. A widespread infrared emission at around 12 microns, first noted in 1983 by the IRAS sate11ite in the Milky Way and in other galaxies, turns out to be due to hydrocarbons gathered in wispy clouds. In interstellar space, complex hydrocarbons make tarry grains similar to the soot from car exhausts or coal fires. ISO's instruments, identifying these hydrocarbons by their characteristic infrared wavelengths, find them almost everywhere they look, except close to stars which tend to decompose the hydrocarbons. Teams are using the ISOPHOT and ISOCAM instruments to survey the hydrocarbons in dozens of locations in the Galaxy. The hydrocarbons appear most conspicuous at the outer surfaces of dense clouds of gas and dust, and should give clues to physical conditions prevailing there. Shortly before ISO's launch, amateur astronomers reported that the star called R Coronae Borealis was fading from view. This elderly star is normally quite easy to see with binoculars, but intermittently it puffs off clouds of dust that almost hide it from view. Professional astronomers do not have the time to monitor irregularly variable stars, and rely on amateurs to alert them to such events like that in R Coronae Borealis. A few months later when the star could be seen only with powerful telescopes, ISO obtained an infrared spectrum of the star in just one minute, using the high-speed spectroscopic facility of the photometer ISOPHOT. "We caught this star smoking," says Helen Walker of the Rutherford Appleton Laboratory in England, who was in charge of the observation. "The amateurs saw the star fade from view in visible light in October, but it remained bright in the infrared. The telltale wavelengths revealed sooty carbon compounds newly formed in the star's vicinity. Without ISO we could not hope to analyse such a striking event." Complexity and inspiration ISO's camera ISOCAM has obtained impressive images of interstellar dust in many parts of the Galaxy. ISOCAM often uses its spectral capabilities to decompose tbe dusty emissions by wavelength, and so determine their origins. One of the places where ISOCAM has detected extensive regions of hydrocarbons is at the outer edge of the Rho Ophiuchi dark cloud. At 500 light-years, this is also the nearest scene of recent star formation. Spectacular images from ISOCAM show many young stars unseen by visible light, and remarkable filamentary structures in their envelope of dust. ISO is providing astronomers with more details about the interstellar medium than they can fully understand so far. Not only do chemical mysteries lurk in spectra still being analysed, but some of the spatial features of the Galaxy imaged by ISO leave astronomers scratching their heads. Co-existing cold and hot regions make complicated patterns, which were preeviously thought of only as lukewarm averages. "The Universe is a very complex place," warns Martin Harwit, a pioneer of infrared astronomy. "But ISO is defining its overall contents, assessing the energy budgets of our Galaxy and others, and teaching us a lot about the demography of old and young stars. For me, the results of ISO so far are inspirational."

Statistical mechanics of the vertex-cover problem

NASA Astrophysics Data System (ADS)

Hartmann, Alexander K.; Weigt, Martin

2003-10-01

We review recent progress in the study of the vertex-cover problem (VC). The VC belongs to the class of NP-complete graph theoretical problems, which plays a central role in theoretical computer science. On ensembles of random graphs, VC exhibits a coverable-uncoverable phase transition. Very close to this transition, depending on the solution algorithm, easy-hard transitions in the typical running time of the algorithms occur. We explain a statistical mechanics approach, which works by mapping the VC to a hard-core lattice gas, and then applying techniques such as the replica trick or the cavity approach. Using these methods, the phase diagram of the VC could be obtained exactly for connectivities c < e, where the VC is replica symmetric. Recently, this result could be confirmed using traditional mathematical techniques. For c > e, the solution of the VC exhibits full replica symmetry breaking. The statistical mechanics approach can also be used to study analytically the typical running time of simple complete and incomplete algorithms for the VC. Finally, we describe recent results for the VC when studied on other ensembles of finite- and infinite-dimensional graphs.

Solute transport along preferential flow paths in unsaturated fractures

USGS Publications Warehouse

Su, Grace W.; Geller, Jil T.; Pruess, Karsten; Hunt, James R.

2001-01-01

Laboratory experiments were conducted to study solute transport along preferential flow paths in unsaturated, inclined fractures. Qualitative aspects of solute transport were identified in a miscible dye tracer experiment conducted in a transparent replica of a natural granite fracture. Additional experiments were conducted to measure the breakthrough curves of a conservative tracer introduced into an established preferential flow path in two different fracture replicas and a rock‐replica combination. The influence of gravity was investigated by varying fracture inclination. The relationship between the travel times of the solute and the relative influence of gravity was substantially affected by two modes of intermittent flow that occurred: the snapping rivulet and the pulsating blob modes. The measured travel times of the solute were evaluated with three transfer function models: the axial dispersion, the reactors‐in‐series, and the lognormal models. The three models described the solute travel times nearly equally well. A mechanistic model was also formulated to describe transport when the pulsating blob mode occurred which assumed blobs of water containing solute mixed with residual pools of water along the flow path.

Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent.

PubMed

Peter, Emanuel K; Shea, Joan-Emma; Pivkin, Igor V

2016-05-14

In this paper, we present a coarse replica exchange molecular dynamics (REMD) approach, based on kinetic Monte Carlo (kMC). The new development significantly can reduce the amount of replicas and the computational cost needed to enhance sampling in protein simulations. We introduce 2 different methods which primarily differ in the exchange scheme between the parallel ensembles. We apply this approach on folding of 2 different β-stranded peptides: the C-terminal β-hairpin fragment of GB1 and TrpZip4. Additionally, we use the new simulation technique to study the folding of TrpCage, a small fast folding α-helical peptide. Subsequently, we apply the new methodology on conformation changes in signaling of the light-oxygen voltage (LOV) sensitive domain from Avena sativa (AsLOV2). Our results agree well with data reported in the literature. In simulations of dialanine, we compare the statistical sampling of the 2 techniques with conventional REMD and analyze their performance. The new techniques can reduce the computational cost of REMD significantly and can be used in enhanced sampling simulations of biomolecules.

Pathways through equilibrated states with coexisting phases for gas hydrate formation

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

Malolepsza, Edyta; Keyes, Tom

Under ambient conditions, water freezes to either hexagonal ice or a hexagonal/cubic composite ice. The presence of hydrophobic guest molecules introduces a competing pathway: gas hydrate formation, with the guests in clathrate cages. Here, the pathways of the phase transitions are sought as sequences of states with coexisting phases, using a generalized replica exchange algorithm designed to sample them in equilibrium, avoiding nonequilibrium processes. For a dilute solution of methane in water under 200 atm, initializing the simulation with the full set of replicas leads to methane trapped in hexagonal/cubic ice, while gradually adding replicas with decreasing enthalpy produces themore » initial steps of hydrate growth. Once a small amount of hydrate is formed, water rearranges to form empty cages, eventually transforming the remainder of the system to metastable β ice, a scaffolding for hydrates. It is suggested that configurations with empty cages are reaction intermediates in hydrate formation when more guest molecules are available. Furthermore, free energy profiles show that methane acts as a catalyst reducing the barrier for β ice versus hexagonal/cubic ice formation.« less

Pathways through equilibrated states with coexisting phases for gas hydrate formation

DOE PAGES

Malolepsza, Edyta; Keyes, Tom

2015-12-01

Under ambient conditions, water freezes to either hexagonal ice or a hexagonal/cubic composite ice. The presence of hydrophobic guest molecules introduces a competing pathway: gas hydrate formation, with the guests in clathrate cages. Here, the pathways of the phase transitions are sought as sequences of states with coexisting phases, using a generalized replica exchange algorithm designed to sample them in equilibrium, avoiding nonequilibrium processes. For a dilute solution of methane in water under 200 atm, initializing the simulation with the full set of replicas leads to methane trapped in hexagonal/cubic ice, while gradually adding replicas with decreasing enthalpy produces themore » initial steps of hydrate growth. Once a small amount of hydrate is formed, water rearranges to form empty cages, eventually transforming the remainder of the system to metastable β ice, a scaffolding for hydrates. It is suggested that configurations with empty cages are reaction intermediates in hydrate formation when more guest molecules are available. Furthermore, free energy profiles show that methane acts as a catalyst reducing the barrier for β ice versus hexagonal/cubic ice formation.« less

Materials Suitable for preparing Inorganic Nanocasts of butterflies and other insects

NASA Astrophysics Data System (ADS)

Silver, J.; Fern, G. R.; Ireland, T. G.

2015-06-01

Replication of 3D-structures, in particular those that have a periodic modulation of a dielectric material at optical wavelengths and below have proven very difficult to fabricate. The majority of such replication techniques are complex or use moisture sensitive precursors requiring the use of for example a glove box. Here we demonstrate how an air stable supersaturated europium-doped yttrium nitrate phosphor precursor solution has the ability to easily impregnate a structure or produce a cast yielding faithful replicas composed of Y2O:Eu3+ after a final short annealing step. New replicas of Lepidoptera (moth) wing scales using field emission scanning electron microscopy, structures down to 10 nm have been imaged. Moreover as these replicas are made of phosphors, their luminescence in some cases may be modulated by the internal periodic modulation built into their structures. In this work we will discuss more recent results on the use of the phosphors for making nanocasts of moth wing scales and show a range of beautiful pictures to show what the method can achieve.

Validation of the BUGJEFF311.BOLIB, BUGENDF70.BOLIB and BUGLE-B7 broad-group libraries on the PCA-Replica (H2O/Fe) neutron shielding benchmark experiment

NASA Astrophysics Data System (ADS)

Pescarini, Massimo; Orsi, Roberto; Frisoni, Manuela

2016-03-01

The PCA-Replica 12/13 (H2O/Fe) neutron shielding benchmark experiment was analysed using the TORT-3.2 3D SN code. PCA-Replica reproduces a PWR ex-core radial geometry with alternate layers of water and steel including a pressure vessel simulator. Three broad-group coupled neutron/photon working cross section libraries in FIDO-ANISN format with the same energy group structure (47 n + 20 γ) and based on different nuclear data were alternatively used: the ENEA BUGJEFF311.BOLIB (JEFF-3.1.1) and UGENDF70.BOLIB (ENDF/B-VII.0) libraries and the ORNL BUGLE-B7 (ENDF/B-VII.0) library. Dosimeter cross sections derived from the IAEA IRDF-2002 dosimetry file were employed. The calculated reaction rates for the Rh-103(n,n')Rh-103m, In-115(n,n')In-115m and S-32(n,p)P-32 threshold activation dosimeters and the calculated neutron spectra are compared with the corresponding experimental results.

Plasma 8-iso-Prostaglandin F2α, a possible prognostic marker in aneurysmal subarachnoid hemorrhage.

PubMed

Pan, De-Sheng; Yan, Min; Hassan, Muhammad; Fang, Ze-Bin; Chen, Man-Tao

2017-06-01

8-iso-Prostaglandin F2α (8-iso-PGF2α) is a potential biomarker of oxidative stress. This study clarified whether plasma 8-iso-PGF2α concentrations were affected and its underlying relevance to prognosis in aneurysmal subarachnoid hemorrhage (aSAH). In this prospective, observational study, a total of 170 controls and 170 aSAH patients were enrolled. Plasma 8-iso-PGF2α concentrations were detected using an ELISA. Severity was assessed by World Federation of Neurological Surgeons (WFNS) scale and modified Fisher grading scale. Clinical outcomes included 6-month mortality and poor outcome referred to as Glasgow outcome scale score of 1-3. As compared to controls, admission plasma 8-iso-PGF2α concentrations were significantly enhanced. Increased concentrations of plasma 8-iso-PGF2α correlated with WFNS scores and modified Fisher scores. 8-iso-PGF2α in plasma was an independent predictor for clinical outcomes. Under ROC curve, the predictive values of 8-iso-PGF2α concentrations resembled those of WFNS scores and modified Fisher scores for clinical outcomes. An elevation in plasma 8-iso-PGF2α concentrations is associated with the severity and poor outcome after aSAH, substantializing 8-iso-PGF2α as a potential prognostic biomarker of aSAH. Copyright © 2017. Published by Elsevier B.V.