Ligand solvation in molecular docking.

PubMed

Shoichet, B K; Leach, A R; Kuntz, I D

1999-01-01

Solvation plays an important role in ligand-protein association and has a strong impact on comparisons of binding energies for dissimilar molecules. When databases of such molecules are screened for complementarity to receptors of known structure, as often occurs in structure-based inhibitor discovery, failure to consider ligand solvation often leads to putative ligands that are too highly charged or too large. To correct for the different charge states and sizes of the ligands, we calculated electrostatic and non-polar solvation free energies for molecules in a widely used molecular database, the Available Chemicals Directory (ACD). A modified Born equation treatment was used to calculate the electrostatic component of ligand solvation. The non-polar component of ligand solvation was calculated based on the surface area of the ligand and parameters derived from the hydration energies of apolar ligands. These solvation energies were subtracted from the ligand-receptor interaction energies. We tested the usefulness of these corrections by screening the ACD for molecules that complemented three proteins of known structure, using a molecular docking program. Correcting for ligand solvation improved the rankings of known ligands and discriminated against molecules with inappropriate charge states and sizes.

ClusPro: an automated docking and discrimination method for the prediction of protein complexes.

PubMed

Comeau, Stephen R; Gatchell, David W; Vajda, Sandor; Camacho, Carlos J

2004-01-01

Predicting protein interactions is one of the most challenging problems in functional genomics. Given two proteins known to interact, current docking methods evaluate billions of docked conformations by simple scoring functions, and in addition to near-native structures yield many false positives, i.e. structures with good surface complementarity but far from the native. We have developed a fast algorithm for filtering docked conformations with good surface complementarity, and ranking them based on their clustering properties. The free energy filters select complexes with lowest desolvation and electrostatic energies. Clustering is then used to smooth the local minima and to select the ones with the broadest energy wells-a property associated with the free energy at the binding site. The robustness of the method was tested on sets of 2000 docked conformations generated for 48 pairs of interacting proteins. In 31 of these cases, the top 10 predictions include at least one near-native complex, with an average RMSD of 5 A from the native structure. The docking and discrimination method also provides good results for a number of complexes that were used as targets in the Critical Assessment of PRedictions of Interactions experiment. The fully automated docking and discrimination server ClusPro can be found at http://structure.bu.edu

Birth-Order Complementarity and Marital Adjustment.

ERIC Educational Resources Information Center

Vos, Cornelia J. Vanderkooy; Hayden, Delbert J.

1985-01-01

Tested the influence of birth-order complementarity on marital adjustment among 327 married women using the Spanier Dyadic Adjustment Scale (1976). Birth-order complementarity was found to be unassociated with marital adjustment. (Author/BL)

Electrostatic orientation of the electron-transfer complex between plastocyanin and cytochrome c.

PubMed

Roberts, V A; Freeman, H C; Olson, A J; Tainer, J A; Getzoff, E D

1991-07-15

To understand the specificity and efficiency of protein-protein interactions promoting electron transfer, we evaluated the role of electrostatic forces in precollision orientation by the development of two new methods, computer graphics alignment of protein electrostatic fields and a systematic orientational search of intermolecular electrostatic energies for two proteins at present separation distances. We applied these methods to the plastocyanin/cytochrome c interaction, which is faster than random collision, but too slow for study by molecular dynamics techniques. Significant electrostatic potentials were concentrated on one-fourth (969 A2) of the plastocyanin surface, with the greatest negative potential centered on the Tyr-83 hydroxyl within the acidic patch, and on one-eighth (632 A2) of the cytochrome c surface, with the greatest positive potential centered near the exposed heme edge. Coherent electrostatic fields occurred only over these regions, suggesting that local, rather than global, charge complementarity controls productive recognition. The three energetically favored families of pre-collision orientations all directed the positive region surrounding the heme edge of cytochrome c toward the acidic patch of plastocyanin but differed in heme plane orientation. Analysis of electrostatic fields, electrostatic energies of precollision orientations with 12 and 6 A separation distances, and surface topographies suggested that the favored orientations should converge to productive complexes promoting a single electron-transfer pathway from the cytochrome c heme edge to Tyr-83 of plastocyanin. Direct interactions of the exposed Cu ligand in plastocyanin with the cytochrome c heme edge are not unfavorable sterically or electrostatically but should occur no faster than randomly, indicating that this is not the primary pathway for electron transfer.

PL-PatchSurfer: a novel molecular local surface-based method for exploring protein-ligand interactions.

PubMed

Hu, Bingjie; Zhu, Xiaolei; Monroe, Lyman; Bures, Mark G; Kihara, Daisuke

2014-08-27

Structure-based computational methods have been widely used in exploring protein-ligand interactions, including predicting the binding ligands of a given protein based on their structural complementarity. Compared to other protein and ligand representations, the advantages of a surface representation include reduced sensitivity to subtle changes in the pocket and ligand conformation and fast search speed. Here we developed a novel method named PL-PatchSurfer (Protein-Ligand PatchSurfer). PL-PatchSurfer represents the protein binding pocket and the ligand molecular surface as a combination of segmented surface patches. Each patch is characterized by its geometrical shape and the electrostatic potential, which are represented using the 3D Zernike descriptor (3DZD). We first tested PL-PatchSurfer on binding ligand prediction and found it outperformed the pocket-similarity based ligand prediction program. We then optimized the search algorithm of PL-PatchSurfer using the PDBbind dataset. Finally, we explored the utility of applying PL-PatchSurfer to a larger and more diverse dataset and showed that PL-PatchSurfer was able to provide a high early enrichment for most of the targets. To the best of our knowledge, PL-PatchSurfer is the first surface patch-based method that treats ligand complementarity at protein binding sites. We believe that using a surface patch approach to better understand protein-ligand interactions has the potential to significantly enhance the design of new ligands for a wide array of drug-targets.

PL-PatchSurfer: A Novel Molecular Local Surface-Based Method for Exploring Protein-Ligand Interactions

PubMed Central

Hu, Bingjie; Zhu, Xiaolei; Monroe, Lyman; Bures, Mark G.; Kihara, Daisuke

2014-01-01

Structure-based computational methods have been widely used in exploring protein-ligand interactions, including predicting the binding ligands of a given protein based on their structural complementarity. Compared to other protein and ligand representations, the advantages of a surface representation include reduced sensitivity to subtle changes in the pocket and ligand conformation and fast search speed. Here we developed a novel method named PL-PatchSurfer (Protein-Ligand PatchSurfer). PL-PatchSurfer represents the protein binding pocket and the ligand molecular surface as a combination of segmented surface patches. Each patch is characterized by its geometrical shape and the electrostatic potential, which are represented using the 3D Zernike descriptor (3DZD). We first tested PL-PatchSurfer on binding ligand prediction and found it outperformed the pocket-similarity based ligand prediction program. We then optimized the search algorithm of PL-PatchSurfer using the PDBbind dataset. Finally, we explored the utility of applying PL-PatchSurfer to a larger and more diverse dataset and showed that PL-PatchSurfer was able to provide a high early enrichment for most of the targets. To the best of our knowledge, PL-PatchSurfer is the first surface patch-based method that treats ligand complementarity at protein binding sites. We believe that using a surface patch approach to better understand protein-ligand interactions has the potential to significantly enhance the design of new ligands for a wide array of drug-targets. PMID:25167137

Free energy landscapes of encounter complexes in protein-protein association.

PubMed

Camacho, C J; Weng, Z; Vajda, S; DeLisi, C

1999-03-01

We report the computer generation of a high-density map of the thermodynamic properties of the diffusion-accessible encounter conformations of four receptor-ligand protein pairs, and use it to study the electrostatic and desolvation components of the free energy of association. Encounter complex conformations are generated by sampling the translational/rotational space of the ligand around the receptor, both at 5-A and zero surface-to-surface separations. We find that partial desolvation is always an important effect, and it becomes dominant for complexes in which one of the reactants is neutral or weakly charged. The interaction provides a slowly varying attractive force over a small but significant region of the molecular surface. In complexes with no strong charge complementarity this region surrounds the binding site, and the orientation of the ligand in the encounter conformation with the lowest desolvation free energy is similar to the one observed in the fully formed complex. Complexes with strong opposite charges exhibit two types of behavior. In the first group, represented by barnase/barstar, electrostatics exerts strong orientational steering toward the binding site, and desolvation provides some added adhesion within the local region of low electrostatic energy. In the second group, represented by the complex of kallikrein and pancreatic trypsin inhibitor, the overall stability results from the rather nonspecific electrostatic attraction, whereas the affinity toward the binding region is determined by desolvation interactions.

Complementarity in false memory illusions.

PubMed

Brainerd, C J; Reyna, V F

2018-03-01

For some years, the DRM illusion has been the most widely studied form of false memory. The consensus theoretical interpretation is that the illusion is a reality reversal, in which certain new words (critical distractors) are remembered as though they are old list words rather than as what they are-new words that are similar to old ones. This reality-reversal interpretation is supported by compelling lines of evidence, but prior experiments are limited by the fact that their memory tests only asked whether test items were old. We removed that limitation by also asking whether test items were new-similar. This more comprehensive methodology revealed that list words and critical distractors are remembered quite differently. Memory for list words is compensatory: They are remembered as old at high rates and remembered as new-similar at very low rates. In contrast, memory for critical distractors is complementary: They are remembered as both old and new-similar at high rates, which means that the DRM procedure induces a complementarity illusion rather than a reality reversal. The conjoint recognition model explains complementarity as a function of three retrieval processes (semantic familiarity, target recollection, and context recollection), and it predicts that complementarity can be driven up or down by varying the mix of those processes. Our experiments generated data on that prediction and introduced a convenient statistic, the complementarity ratio, which measures (a) the level of complementarity in memory performance and (b) whether its direction is reality-consistent or reality-reversed. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Interactions of the α-subunits of heterotrimeric G-proteins with GPCRs, effectors and RGS proteins: a critical review and analysis of interacting surfaces, conformational shifts, structural diversity and electrostatic potentials.

PubMed

Baltoumas, Fotis A; Theodoropoulou, Margarita C; Hamodrakas, Stavros J

2013-06-01

G-protein coupled receptors (GPCRs) are one of the largest families of membrane receptors in eukaryotes. Heterotrimeric G-proteins, composed of α, β and γ subunits, are important molecular switches in the mediation of GPCR signaling. Receptor stimulation after the binding of a suitable ligand leads to G-protein heterotrimer activation and dissociation into the Gα subunit and Gβγ heterodimer. These subunits then interact with a large number of effectors, leading to several cell responses. We studied the interactions between Gα subunits and their binding partners, using information from structural, mutagenesis and Bioinformatics studies, and conducted a series of comparisons of sequence, structure, electrostatic properties and intermolecular energies among different Gα families and subfamilies. We identified a number of Gα surfaces that may, in several occasions, participate in interactions with receptors as well as effectors. The study of Gα interacting surfaces in terms of sequence, structure and electrostatic potential reveals features that may account for the Gα subunit's behavior towards its interacting partners. The electrostatic properties of the Gα subunits, which in some cases differ greatly not only between families but also between subfamilies, as well as the G-protein interacting surfaces of effectors and regulators of G-protein signaling (RGS) suggest that electrostatic complementarity may be an important factor in G-protein interactions. Energy calculations also support this notion. This information may be useful in future studies of G-protein interactions with GPCRs and effectors. Copyright © 2013 Elsevier Inc. All rights reserved.

Long-range electrostatic complementarity governs substrate recognition by human chymotrypsin C, a key regulator of digestive enzyme activation.

PubMed

Batra, Jyotica; Szabó, András; Caulfield, Thomas R; Soares, Alexei S; Sahin-Tóth, Miklós; Radisky, Evette S

2013-04-05

Human chymotrypsin C (CTRC) is a pancreatic serine protease that regulates activation and degradation of trypsinogens and procarboxypeptidases by targeting specific cleavage sites within their zymogen precursors. In cleaving these regulatory sites, which are characterized by multiple flanking acidic residues, CTRC shows substrate specificity that is distinct from that of other isoforms of chymotrypsin and elastase. Here, we report the first crystal structure of active CTRC, determined at 1.9-Å resolution, revealing the structural basis for binding specificity. The structure shows human CTRC bound to the small protein protease inhibitor eglin c, which binds in a substrate-like manner filling the S6-S5' subsites of the substrate binding cleft. Significant binding affinity derives from burial of preferred hydrophobic residues at the P1, P4, and P2' positions of CTRC, although acidic P2' residues can also be accommodated by formation of an interfacial salt bridge. Acidic residues may also be specifically accommodated in the P6 position. The most unique structural feature of CTRC is a ring of intense positive electrostatic surface potential surrounding the primarily hydrophobic substrate binding site. Our results indicate that long-range electrostatic attraction toward substrates of concentrated negative charge governs substrate discrimination, which explains CTRC selectivity in regulating active digestive enzyme levels.

Long-range Electrostatic Complementarity Governs Substrate Recognition by Human Chymotrypsin C, a Key Regulator of Digestive Enzyme Activation*

PubMed Central

Batra, Jyotica; Szabó, András; Caulfield, Thomas R.; Soares, Alexei S.; Sahin-Tóth, Miklós; Radisky, Evette S.

2013-01-01

Human chymotrypsin C (CTRC) is a pancreatic serine protease that regulates activation and degradation of trypsinogens and procarboxypeptidases by targeting specific cleavage sites within their zymogen precursors. In cleaving these regulatory sites, which are characterized by multiple flanking acidic residues, CTRC shows substrate specificity that is distinct from that of other isoforms of chymotrypsin and elastase. Here, we report the first crystal structure of active CTRC, determined at 1.9-Å resolution, revealing the structural basis for binding specificity. The structure shows human CTRC bound to the small protein protease inhibitor eglin c, which binds in a substrate-like manner filling the S6-S5′ subsites of the substrate binding cleft. Significant binding affinity derives from burial of preferred hydrophobic residues at the P1, P4, and P2′ positions of CTRC, although acidic P2′ residues can also be accommodated by formation of an interfacial salt bridge. Acidic residues may also be specifically accommodated in the P6 position. The most unique structural feature of CTRC is a ring of intense positive electrostatic surface potential surrounding the primarily hydrophobic substrate binding site. Our results indicate that long-range electrostatic attraction toward substrates of concentrated negative charge governs substrate discrimination, which explains CTRC selectivity in regulating active digestive enzyme levels. PMID:23430245

Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution.

PubMed

Buckle, A M; Schreiber, G; Fersht, A R

1994-08-02

We have solved, refined, and analyzed the 2.0-å resolution crystal structure of a 1:1 complex between the bacterial ribonuclease, barnase, and a Cys-->Ala(40,82) double mutant of its intracellular polypeptide inhibitor, barstar. Barstar inhibits barnase by sterically blocking the active site with a helix and adjacent loop segment. Almost half of the 14 hydrogen bonds between barnase and barstar involve two charged residues, and a third involve one charged partner. The electrostatic contribution to the overall binding energy is considerably greater than for other protein-protein interactions. Consequently, the very high rate constant for the barnase-barstar association (10(8) s-1 M-1) is most likely due to electrostatic steering effects. The barnase active-site residue His102 is located in a pocket on the surface of barstar, and its hydrogen bonds with Asp39 and Gly31 residues of barstar are directly responsible for the pH dependence of barnase-barstar binding. There is a high degree of complementarity both of the shape and of the charge of the interacting surfaces, but neither is perfect. The surface complementarity is slightly poorer than in protease-inhibitor complexes but a little better than in antibody-antigen interactions. However, since the burial of solvent in the barnase-barstar interface improves the fit significantly by filling in the majority of gaps, as well as stabilizing unfavorable electrostatic interactions, its role seems to be more important than in other protein-protein complexes. The electrostatic interactions between barnase and barstar are very similar to those between barnase and the tetranucleotide d(CGAC). In the barnase-barstar complex, the two phosphate-binding sites in the barnase active site are occupied by Asp39 and Gly43 of barstar. However, barstar has no equivalent for a guanine base of an RNA substrate, resulting in the occupation of the guanine recognition site in the barnase-barstar complex by nine ordered water molecules. Upon barnase-barstar binding, entropy losses resulting from the immobilization of segments of the protein chain and the energetic costs of conformational changes are minimized due to the essentially preformed active site of barnase. However, a certain degree of flexibility within the barnase active site is required to allow for the structural differences between barnase-barstar binding and barnase-RNA binding. A comparison between the bound and the free barstar structure shows that the overall structural response to barnase-binding is significant. This response can be best described as outwardly oriented, rigid-body movements of the four alpha-helices of barstar, resulting in the structure of bound barstar being somewhat expanded.

BiGGER: a new (soft) docking algorithm for predicting protein interactions.

PubMed

Palma, P N; Krippahl, L; Wampler, J E; Moura, J J

2000-06-01

A new computationally efficient and automated "soft docking" algorithm is described to assist the prediction of the mode of binding between two proteins, using the three-dimensional structures of the unbound molecules. The method is implemented in a software package called BiGGER (Bimolecular Complex Generation with Global Evaluation and Ranking) and works in two sequential steps: first, the complete 6-dimensional binding spaces of both molecules is systematically searched. A population of candidate protein-protein docked geometries is thus generated and selected on the basis of the geometric complementarity and amino acid pairwise affinities between the two molecular surfaces. Most of the conformational changes observed during protein association are treated in an implicit way and test results are equally satisfactory, regardless of starting from the bound or the unbound forms of known structures of the interacting proteins. In contrast to other methods, the entire molecular surfaces are searched during the simulation, using absolutely no additional information regarding the binding sites. In a second step, an interaction scoring function is used to rank the putative docked structures. The function incorporates interaction terms that are thought to be relevant to the stabilization of protein complexes. These include: geometric complementarity of the surfaces, explicit electrostatic interactions, desolvation energy, and pairwise propensities of the amino acid side chains to contact across the molecular interface. The relative functional contribution of each of these interaction terms to the global scoring function has been empirically adjusted through a neural network optimizer using a learning set of 25 protein-protein complexes of known crystallographic structures. In 22 out of 25 protein-protein complexes tested, near-native docked geometries were found with C(alpha) RMS deviations < or =4.0 A from the experimental structures, of which 14 were found within the 20 top ranking solutions. The program works on widely available personal computers and takes 2 to 8 hours of CPU time to run any of the docking tests herein presented. Finally, the value and limitations of the method for the study of macromolecular interactions, not yet revealed by experimental techniques, are discussed.

Structural Analysis of HMGD-DNA Complexes Reveal Influence of Intercalation on Sequence Selectivity and DNA Bending

PubMed Central

Churchill, Mair E.A.; Klass, Janet; Zoetewey, David L.

2010-01-01

The ubiquitous eukaryotic High-Mobility-Group-Box (HMGB) chromosomal proteins promote many chromatin-mediated cellular activities through their non-sequence-specific binding and bending of DNA. Minor groove DNA binding by the HMG box results in substantial DNA bending toward the major groove owing to electrostatic interactions, shape complementarity and DNA intercalation that occurs at two sites. Here, the structures of the complexes formed with DNA by a partially DNA intercalation-deficient mutant of Drosophila melanogaster HMGD have been determined by X-ray crystallography at a resolution of 2.85 Å. The six proteins and fifty base pairs of DNA in the crystal structure revealed a variety of bound conformations. All of the proteins bound in the minor groove, bridging DNA molecules, presumably because these DNA regions are easily deformed. The loss of the primary site of DNA intercalation decreased overall DNA bending and shape complementarity. However, DNA bending at the secondary site of intercalation was retained and most protein-DNA contacts were preserved. The mode of binding resembles the HMGB1-boxA-cisplatin-DNA complex, which also lacks a primary intercalating residue. This study provides new insights into the binding mechanisms used by HMG boxes to recognize varied DNA structures and sequences as well as modulate DNA structure and DNA bending. PMID:20800069

Light-scattering studies of protein solutions: role of hydration in weak protein-protein interactions.

PubMed

Paliwal, A; Asthagiri, D; Abras, D; Lenhoff, A M; Paulaitis, M E

2005-09-01

We model the hydration contribution to short-range electrostatic/dispersion protein interactions embodied in the osmotic second virial coefficient, B(2), by adopting a quasi-chemical description in which water molecules associated with the protein are identified through explicit molecular dynamics simulations. These water molecules reduce the surface complementarity of highly favorable short-range interactions, and therefore can play an important role in mediating protein-protein interactions. Here we examine this quasi-chemical view of hydration by predicting the interaction part of B(2) and comparing our results with those derived from light-scattering measurements of B(2) for staphylococcal nuclease, lysozyme, and chymotrypsinogen at 25 degrees C as a function of solution pH and ionic strength. We find that short-range protein interactions are influenced by water molecules strongly associated with a relatively small fraction of the protein surface. However, the effect of these strongly associated water molecules on the surface complementarity of short-range protein interactions is significant, and must be taken into account for an accurate description of B(2). We also observe remarkably similar hydration behavior for these proteins despite substantial differences in their three-dimensional structures and spatial charge distributions, suggesting a general characterization of protein hydration.

Improving Docking Performance Using Negative Image-Based Rescoring.

PubMed

Kurkinen, Sami T; Niinivehmas, Sanna; Ahinko, Mira; Lätti, Sakari; Pentikäinen, Olli T; Postila, Pekka A

2018-01-01

Despite the large computational costs of molecular docking, the default scoring functions are often unable to recognize the active hits from the inactive molecules in large-scale virtual screening experiments. Thus, even though a correct binding pose might be sampled during the docking, the active compound or its biologically relevant pose is not necessarily given high enough score to arouse the attention. Various rescoring and post-processing approaches have emerged for improving the docking performance. Here, it is shown that the very early enrichment (number of actives scored higher than 1% of the highest ranked decoys) can be improved on average 2.5-fold or even 8.7-fold by comparing the docking-based ligand conformers directly against the target protein's cavity shape and electrostatics. The similarity comparison of the conformers is performed without geometry optimization against the negative image of the target protein's ligand-binding cavity using the negative image-based (NIB) screening protocol. The viability of the NIB rescoring or the R-NiB, pioneered in this study, was tested with 11 target proteins using benchmark libraries. By focusing on the shape/electrostatics complementarity of the ligand-receptor association, the R-NiB is able to improve the early enrichment of docking essentially without adding to the computing cost. By implementing consensus scoring, in which the R-NiB and the original docking scoring are weighted for optimal outcome, the early enrichment is improved to a level that facilitates effective drug discovery. Moreover, the use of equal weight from the original docking scoring and the R-NiB scoring improves the yield in most cases.

Electrostatic potential of human immunodeficiency virus type 2 and rhesus macaque simian immunodeficiency virus capsid proteins.

PubMed

Bozek, Katarzyna; Nakayama, Emi E; Kono, Ken; Shioda, Tatsuo

2012-01-01

Human immunodeficiency virus type 2 (HIV-2) and simian immunodeficiency virus isolated from a macaque monkey (SIVmac) are assumed to have originated from simian immunodeficiency virus isolated from sooty mangabey (SIVsm). Despite their close similarity in genome structure, HIV-2 and SIVmac show different sensitivities to TRIM5α, a host restriction factor against retroviruses. The replication of HIV-2 strains is potently restricted by rhesus (Rh) monkey TRIM5α, while that of SIVmac strain 239 (SIVmac239) is not. Viral capsid protein is the determinant of this differential sensitivity to TRIM5α, as the HIV-2 mutant carrying SIVmac239 capsid protein evaded Rh TRIM5α-mediated restriction. However, the molecular determinants of this restriction mechanism are unknown. Electrostatic potential on the protein-binding site is one of the properties regulating protein-protein interactions. In this study, we investigated the electrostatic potential on the interaction surface of capsid protein of HIV-2 strain GH123 and SIVmac239. Although HIV-2 GH123 and SIVmac239 capsid proteins share more than 87% amino acid identity, we observed a large difference between the two molecules with the HIV-2 GH123 molecule having predominantly positive and SIVmac239 predominantly negative electrostatic potential on the surface of the loop between α-helices 4 and 5 (L4/5). As L4/5 is one of the major determinants of Rh TRIM5α sensitivity of these viruses, the present results suggest that the binding site of the Rh TRIM5α may show complementarity to the HIV-2 GH123 capsid surface charge distribution.

Binding of an antibody mimetic of the human low density lipoprotein receptor to apolipoprotein E is governed through electrostatic forces. Studies using site-directed mutagenesis and molecular modeling.

PubMed

Raffaï, R; Weisgraber, K H; MacKenzie, R; Rupp, B; Rassart, E; Hirama, T; Innerarity, T L; Milne, R

2000-03-10

Monoclonal antibody 2E8 is specific for an epitope that coincides with the binding site of the low density lipoprotein receptor (LDLR) on human apoE. Its reactivity with apoE variants resembles that of the LDLR: it binds well with apoE3 and poorly with apoE2. The heavy chain complementarity-determining region (CDRH) 2 of 2E8 shows homology to the ligand-binding domain of the LDLR. To define better the structural basis of the 2E8/apoE interaction and particularly the role of electrostatic interactions, we generated and characterized a panel of 2E8 variants. Replacement of acidic residues in the 2E8 CDRHs showed that Asp(52), Glu(53), and Asp(56) are essential for high-affinity binding. Although Asp(31) (CDRH1), Glu(58) (CDRH2), and Asp(97) (CDRH3) did not appear to be critical, the Asp(97) --> Ala variant acquired reactivity with apoE2. A Thr(57) --> Glu substitution increased affinity for both apoE3 and apoE2. The affinities of wild-type 2E8 and variants for apoE varied inversely with ionic strength, suggesting that electrostatic forces contribute to both antigen binding and isoform specificity. We propose a model of the 2E8.apoE immune complex that is based on the 2E8 and apoE crystal structures and that is consistent with the apoE-binding properties of wild-type 2E8 and its variants. Given the similarity between the LDLR and 2E8 in terms of specificity, the LDLR/ligand interaction may also have an important electrostatic component.

Predicting bioactive conformations and binding modes of macrocycles

NASA Astrophysics Data System (ADS)

Anighoro, Andrew; de la Vega de León, Antonio; Bajorath, Jürgen

2016-10-01

Macrocyclic compounds experience increasing interest in drug discovery. It is often thought that these large and chemically complex molecules provide promising candidates to address difficult targets and interfere with protein-protein interactions. From a computational viewpoint, these molecules are difficult to treat. For example, flexible docking of macrocyclic compounds is hindered by the limited ability of current docking approaches to optimize conformations of extended ring systems for pose prediction. Herein, we report predictions of bioactive conformations of macrocycles using conformational search and binding modes using docking. Conformational ensembles generated using specialized search technique of about 70 % of the tested macrocycles contained accurate bioactive conformations. However, these conformations were difficult to identify on the basis of conformational energies. Moreover, docking calculations with limited ligand flexibility starting from individual low energy conformations rarely yielded highly accurate binding modes. In about 40 % of the test cases, binding modes were approximated with reasonable accuracy. However, when conformational ensembles were subjected to rigid body docking, an increase in meaningful binding mode predictions to more than 50 % of the test cases was observed. Electrostatic effects did not contribute to these predictions in a positive or negative manner. Rather, achieving shape complementarity at macrocycle-target interfaces was a decisive factor. In summary, a combined computational protocol using pre-computed conformational ensembles of macrocycles as a starting point for docking shows promise in modeling binding modes of macrocyclic compounds.

On the binding of indeno[1,2-c]isoquinolines in the DNA-topoisomerase I cleavage complex.

PubMed

Xiao, Xiangshu; Antony, Smitha; Pommier, Yves; Cushman, Mark

2005-05-05

An ab initio quantum mechanics calculation is reported which predicts the orientation of indenoisoquinoline 4 in the ternary cleavage complex formed from DNA and topoisomerase I (top1). The results of this calculation are consistent with the hypothetical structures previously proposed for the indenoisoquinoline-DNA-top1 ternary complexes based on molecular modeling, the crystal structure of a recently reported ternary complex, and the biological results obtained with a pair of diaminoalkyl-substituted indenoisoquinoline enantiomers. The results of these studies indicate that the pi-pi stacking interactions between the indenoisoquinolines and the neighboring DNA base pairs play a major role in determining binding orientation. The calculation of the electrostatic potential surface maps of the indenoisoquinolines and the adjacent DNA base pairs shows electrostatic complementarity in the observed binding orientation, leading to the conclusion that electrostatic attraction between the intercalators and the base pairs in the cleavage complex plays a major stabilizing role. On the other hand, the calculation of LUMO and HOMO energies of indenoisoquinoline 13b and neighboring DNA base pairs in conjunction with NBO analysis indicates that charge transfer complex formation plays a relatively minor role in stabilizing the ternary complexes derived from indenoisoquinolines, DNA, and top1. The results of these studies are important in understanding the existing structure-activity relationships for the indenoisoquinolines as top1 inhibitors and as anticancer agents, and they will be important in the future design of indenoisoquinoline-based top1 inhibitors.

Rational Design of Multilayer Collagen Nanosheets with Compositional and Structural Control.

PubMed

Jiang, Tao; Vail, Owen A; Jiang, Zhigang; Zuo, Xiaobing; Conticello, Vincent P

2015-06-24

Two collagen-mimetic peptides, CP(+) and CP(-), are reported in which the sequences comprise a multiblock architecture having positively charged N-terminal (Pro-Arg-Gly)3 and negatively charged C-terminal (Glu-Hyp-Gly)3 triad extensions, respectively. CP(+) rapidly self-associates into positively charged nanosheets based on a monolayer structure. In contrast, CP(-) self-assembles to form negatively charged monolayer nanosheets at a much slower rate, which can be accelerated in the presence of calcium(II) ion. A 2:1 mixture of unassociated CP(-) peptide with preformed CP(+) nanosheets generates structurally defined triple-layer nanosheets in which two CP(-) monolayers have formed on the identical surfaces of the CP(+) nanosheet template. Experimental data from electrostatic force microscopy (EFM) image analysis, zeta potential measurements, and charged nanoparticle binding assays support a negative surface charge state for the triple-layer nanosheets, which is the reverse of the positive surface charge state observed for the CP(+) monolayer nanosheets. The electrostatic complementarity between the CP(+) and CP(-) triple helical cohesive ends at the layer interfaces promotes a (CP(-)/CP(+)/CP(-)) compositional gradient along the z-direction of the nanosheet. This structurally informed approach represents an attractive strategy for the fabrication of two-dimensional nanostructures with compositional control.

Evidence for a ternary complex formed between flavodoxin and cytochrome c3: 1H-NMR and molecular modeling studies.

PubMed

Palma, P N; Moura, I; LeGall, J; Van Beeumen, J; Wampler, J E; Moura, J J

1994-05-31

Small electron-transfer proteins such as flavodoxin (16 kDa) and the tetraheme cytochrome c3 (13 kDa) have been used to mimic, in vitro, part of the complex electron-transfer chain operating between substrate electron donors and respiratory electron acceptors, in sulfate-reducing bacteria (Desulfovibrio species). The nature and properties of the complex formed between these proteins are revealed by 1H-NMR and molecular modeling approaches. Our previous study with the Desulfovibrio vulgaris proteins [Moura, I., Moura, J.J. G., Santos, M.H., & Xavier, A. V. (1980) Cienc. Biol. (Portugal) 5, 195-197; Stewart, D.E. LeGall, J., Moura, I., Moura, J. J. G., Peck, H.D. Jr., Xavier, A. V., Weiner, P. K., & Wampler, J.E. (1988) Biochemistry 27, 2444-2450] indicated that the complex between cytochrome c3 and flavodoxin could be monitored by changes in the NMR signals of the heme methyl groups of the cytochrome and that the electrostatic surface charge (Coulomb's law) on the two proteins favored interaction between one unique heme of the cytochrome with flavodoxin. If the interaction is indeed driven by the electrostatic complementarity between the acidic flavodoxin and a unique positive region of the cytochrome c3, other homologous proteins from these two families of proteins might be expected to interact similarly. In this study, three homologous Desulfovibrio cytochromes c3 were used, which show a remarkable variation in their individual isoelectric points (ranging from 5.5 to 9.5). On the basis of data obtained from protein-protein titrations followed at specific proton NMR signals (i.e., heme methyl resonances), a binding model for this complex has been developed with evaluation of stoichiometry and binding constants. This binding model involves one site on the cytochromes c3 and two sites on the flavodoxin, with formation of a ternary complex at saturation. In order to understand the potential chemical form of the binding model, a structural model for the hypothetical ternary complex, formed between one molecule of Desulfovibrio salexigens flavodoxin and two molecules of cytochrome c3, is proposed. These molecular models of the complexes were constructed on the basis of complementarity of Coulombic electrostatic surface potentials, using the available X-ray structures of the isolated proteins and, when required, model structures (D. salexigens flavodoxin and Desulfovibrio desulfuricans ATCC 27774 cytochrome c3) predicted by homology modeling.

DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction Sites

PubMed Central

Gowthaman, Ragul; Lyskov, Sergey; Karanicolas, John

2015-01-01

Over the past decade, protein-protein interactions have emerged as attractive but challenging targets for therapeutic intervention using small molecules. Due to the relatively flat surfaces that typify protein interaction sites, modern virtual screening tools developed for optimal performance against “traditional” protein targets perform less well when applied instead at protein interaction sites. Previously, we described a docking method specifically catered to the shallow binding modes characteristic of small-molecule inhibitors of protein interaction sites. This method, called DARC (Docking Approach using Ray Casting), operates by comparing the topography of the protein surface when “viewed” from a vantage point inside the protein against the topography of a bound ligand when “viewed” from the same vantage point. Here, we present five key enhancements to DARC. First, we use multiple vantage points to more accurately determine protein-ligand surface complementarity. Second, we describe a new scheme for rapidly determining optimal weights in the DARC scoring function. Third, we incorporate sampling of ligand conformers “on-the-fly” during docking. Fourth, we move beyond simple shape complementarity and introduce a term in the scoring function to capture electrostatic complementarity. Finally, we adjust the control flow in our GPU implementation of DARC to achieve greater speedup of these calculations. At each step of this study, we evaluate the performance of DARC in a “pose recapitulation” experiment: predicting the binding mode of 25 inhibitors each solved in complex with its distinct target protein (a protein interaction site). Whereas the previous version of DARC docked only one of these inhibitors to within 2 Å RMSD of its position in the crystal structure, the newer version achieves this level of accuracy for 12 of the 25 complexes, corresponding to a statistically significant performance improvement (p < 0.001). Collectively then, we find that the five enhancements described here – which together make up DARC 2.0 – lead to dramatically improved speed and performance relative to the original DARC method. PMID:26181386

Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.

PubMed

van de Locht, A; Lamba, D; Bauer, M; Huber, R; Friedrich, T; Kröger, B; Höffken, W; Bode, W

1995-11-01

Rhodniin is a highly specific inhibitor of thrombin isolated from the assassin bug Rhodnius prolixus. The 2.6 Angstrum crystal structure of the non-covalent complex between recombinant rhodniin and bovine alpha-thrombin reveals that the two Kazal-type domains of rhodniin bind to different sites of thrombin. The amino-terminal domain binds in a substrate-like manner to the narrow active-site cleft of thrombin; the imidazole group of the P1 His residue extends into the S1 pocket to form favourable hydrogen/ionic bonds with Asp189 at its bottom, and additionally with Glu192 at its entrance. The carboxy-terminal domain, whose distorted reactive-site loop cannot adopt the canonical conformation, docks to the fibrinogen recognition exosite via extensive electrostatic interactions. The rather acidic polypeptide linking the two domains is displaced from the thrombin surface, with none of its residues involved in direct salt bridges with thrombin. The tight (Ki = 2 x 10(-13) M) binding of rhodniin to thrombin is the result of the sum of steric and charge complementarity of the amino-terminal domain towards the active-site cleft, and of the electrostatic interactions between the carboxy-terminal domain and the exosite.

Structure of tropinone reductase-II complexed with NADP+ and pseudotropine at 1.9 A resolution: implication for stereospecific substrate binding and catalysis.

PubMed

Yamashita, A; Kato, H; Wakatsuki, S; Tomizaki, T; Nakatsu, T; Nakajima, K; Hashimoto, T; Yamada, Y; Oda, J

1999-06-15

Tropinone reductase-II (TR-II) catalyzes the NADPH-dependent reduction of the carbonyl group of tropinone to a beta-hydroxyl group. The crystal structure of TR-II complexed with NADP+ and pseudotropine (psi-tropine) has been determined at 1.9 A resolution. A seven-residue peptide near the active site, disordered in the unliganded structure, is fixed in the ternary complex by participation of the cofactor and substrate binding. The psi-tropine molecule is bound in an orientation which satisfies the product configuration and the stereochemical arrangement toward the cofactor. The substrate binding site displays a complementarity to the bound substrate (psi-tropine) in its correct orientation. In addition, electrostatic interactions between the substrate and Glu156 seem to specify the binding position and orientation of the substrate. A comparison between the active sites in TR-II and TR-I shows that they provide different van der Waals surfaces and electrostatic features. These differences likely contribute to the correct binding mode of the substrates, which are in opposite orientations in TR-II and TR-I, and to different reaction stereospecificities. The active site structure in the TR-II ternary complex also suggests that the arrangement of the substrate, cofactor, and catalytic residues is stereoelectronically favorable for the reaction.

In search of new lead compounds for trypanosomiasis drug design: A protein structure-based linked-fragment approach

NASA Astrophysics Data System (ADS)

Verlinde, Christophe L. M. J.; Rudenko, Gabrielle; Hol, Wim G. J.

1992-04-01

A modular method for pursuing structure-based inhibitor design in the framework of a design cycle is presented. The approach entails four stages: (1) a design pathway is defined in the three-dimensional structure of a target protein; (2) this pathway is divided into subregions; (3) complementary building blocks, also called fragments, are designed in each subregion; complementarity is defined in terms of shape, hydrophobicity, hydrogen bond properties and electrostatics; and (4) fragments from different subregions are linked into potential lead compounds. Stages (3) and (4) are qualitatively guided by force-field calculations. In addition, the designed fragments serve as entries for retrieving existing compounds from chemical databases. This linked-fragment approach has been applied in the design of potentially selective inhibitors of triosephosphate isomerase from Trypanosoma brucei, the causative agent of sleeping sickness.

New Existence Conditions for Order Complementarity Problems

NASA Astrophysics Data System (ADS)

Németh, S. Z.

2009-09-01

Complementarity problems are mathematical models of problems in economics, engineering and physics. A special class of complementarity problems are the order complementarity problems [2]. Order complementarity problems can be applied in lubrication theory [6] and economics [1]. The notion of exceptional family of elements for general order complementarity problems in Banach spaces will be introduced. It will be shown that for general order complementarity problems defined by completely continuous fields the problem has either a solution or an exceptional family of elements (for other notions of exceptional family of elements see [1, 2, 3, 4] and the related references therein). This solves a conjecture of [2] about the existence of exceptional family of elements for order complementarity problems. The proof can be done by using the Leray-Schauder alternative [5]. An application to integral operators will be given.

Structural Model for the Interaction of a Designed Ankyrin Repeat Protein with the Human Epidermal Growth Factor Receptor 2

PubMed Central

Epa, V. Chandana; Dolezal, Olan; Doughty, Larissa; Xiao, Xiaowen; Jost, Christian; Plückthun, Andreas; Adams, Timothy E.

2013-01-01

Designed Ankyrin Repeat Proteins are a class of novel binding proteins that can be selected and evolved to bind to targets with high affinity and specificity. We are interested in the DARPin H10-2-G3, which has been evolved to bind with very high affinity to the human epidermal growth factor receptor 2 (HER2). HER2 is found to be over-expressed in 30% of breast cancers, and is the target for the FDA-approved therapeutic monoclonal antibodies trastuzumab and pertuzumab and small molecule tyrosine kinase inhibitors. Here, we use computational macromolecular docking, coupled with several interface metrics such as shape complementarity, interaction energy, and electrostatic complementarity, to model the structure of the complex between the DARPin H10-2-G3 and HER2. We analyzed the interface between the two proteins and then validated the structural model by showing that selected HER2 point mutations at the putative interface with H10-2-G3 reduce the affinity of binding up to 100-fold without affecting the binding of trastuzumab. Comparisons made with a subsequently solved X-ray crystal structure of the complex yielded a backbone atom root mean square deviation of 0.84–1.14 Ångstroms. The study presented here demonstrates the capability of the computational techniques of structural bioinformatics in generating useful structural models of protein-protein interactions. PMID:23527120

Epitope mapping of anti-interleukin-13 neutralizing antibody CNTO607.

PubMed

Teplyakov, Alexey; Obmolova, Galina; Wu, Sheng-Jiun; Luo, Jinquan; Kang, James; O'Neil, Karyn; Gilliland, Gary L

2009-05-29

CNTO607 is a neutralizing anti-interleukin-13 (IL-13) human monoclonal antibody obtained from a phage display library. To determine how this antibody inhibits the biological effect of IL-13, we determined the binding epitope by X-ray crystallography. The crystal structure of the complex between CNTO607 Fab and IL-13 reveals the antibody epitope at the surface formed by helices A and D of IL-13. This epitope overlaps with the IL-4Ralpha/IL-13Ralpha1 receptor-binding site, which explains the neutralizing effect of CNTO607. The extensive antibody interface covers an area of 1000 A(2), which is consistent with the high binding affinity. The key features of the interface are the charge and shape complementarity of the molecules that include two hydrophobic pockets on IL-13 that accommodate Phe32 [complementarity-determining region (CDR) L2] and Trp100a (CDR H3) and a number of salt bridges between basic residues of IL-13 and acidic residues of the antibody. Comparison with the structure of the free Fab shows that the CDR residues do not change their conformation upon complex formation, with the exception of two residues in CDR H3, Trp100a and Asp100b, which change rotamer conformations. To evaluate the relative contribution of the epitope residues to CNTO607 binding, we performed alanine-scanning mutagenesis of the A-D region of IL-13. This study confirmed the primary role of electrostatic interactions for antigen recognition.

Rationalizing 5000-Fold Differences in Receptor-Binding Rate Constants of Four Cytokines

PubMed Central

Pang, Xiaodong; Qin, Sanbo; Zhou, Huan-Xiang

2011-01-01

The four cytokines erythropoietin (EPO), interleukin-4 (IL4), human growth hormone (hGH), and prolactin (PRL) all form four-helix bundles and bind to type I cytokine receptors. However, their receptor-binding rate constants span a 5000-fold range. Here, we quantitatively rationalize these vast differences in rate constants by our transient-complex theory for protein-protein association. In the transient complex, the two proteins have near-native separation and relative orientation, but have yet to form the short-range specific interactions of the native complex. The theory predicts the association rate constant as ka=ka0exp(−ΔGel∗/kBT) where ka0 is the basal rate constant for reaching the transient complex by random diffusion, and the Boltzmann factor captures the rate enhancement due to electrostatic attraction. We found that the vast differences in receptor-binding rate constants of the four cytokines arise mostly from the differences in charge complementarity among the four cytokine-receptor complexes. The basal rate constants (ka0) of EPO, IL4, hGH, and PRL were similar (5.2 × 105 M−1s−1, 2.4 × 105 M−1s−1, 1.7 × 105 M−1s−1, and 1.7 × 105 M−1s−1, respectively). However, the average electrostatic free energies (ΔGe1∗) were very different (−4.2 kcal/mol, −2.4 kcal/mol, −0.1 kcal/mol, and −0.5 kcal/mol, respectively, at ionic strength = 160 mM). The receptor-binding rate constants predicted without adjusting any parameters, 6.2 × 108 M−1s−1, 1.3 × 107 M−1s−1, 2.0 × 105 M−1s−1, and 7.6 × 104 M−1s−1, respectively, for EPO, IL4, hGH, and PRL agree well with experimental results. We uncover that these diverse rate constants are anticorrelated with the circulation concentrations of the cytokines, with the resulting cytokine-receptor binding rates very close to the limits set by the half-lives of the receptors, suggesting that these binding rates are functionally relevant and perhaps evolutionarily tuned. Our calculations also reproduced well-observed effects of mutations and ionic strength on the rate constants and produced a set of mutations on the complex of hGH with its receptor that putatively enhances the rate constant by nearly 100-fold through increasing charge complementarity. To quantify charge complementarity, we propose a simple index based on the charge distribution within the binding interface, which shows good correlation with ΔGe1∗. Together these results suggest that protein charges can be manipulated to tune ka and control biological function. PMID:21889455

Molecular simulations of the pairwise interaction of monoclonal antibodies.

PubMed

Lapelosa, Mauro; Patapoff, Thomas W; Zarraga, Isidro E

2014-11-20

Molecular simulations are employed to compute the free energy of pairwise monoclonal antibodies (mAbs) association using a conformational sampling algorithm with a scoring function. The work reported here is aimed at investigating the mAb-mAb association driven by weak interactions with a computational method capable of predicting experimental observations of low binding affinity. The simulations are able to explore the free energy landscape. A steric interaction component, electrostatic interactions, and a nonpolar component of the free energy form the energy scoring function. Electrostatic interactions are calculated by solving the Poisson-Boltzmann equation. The nonpolar component is derived from the van der Waals interactions upon close contact of the protein surfaces. Two mAbs with similar IgG1 framework but with small sequence differences, mAb1 and mAb2, are considered for their different viscosity and propensity to form a weak interacting dimer. mAb1 presents favorable free energy of association at pH 6 with 15 mM of ion concentration reproducing experimental trends of high viscosity and dimer formation at high concentration. Free energy landscape and minimum free energy configurations of the dimer, as well as the second virial coefficient (B22) values are calculated. The energy distributions for mAb1 are obtained, and the most probable configurations are seen to be consistent with experimental measurements. In contrast, mAb2 shows an unfavorable average free energy at the same buffer conditions due to poor electrostatic complementarity, and reversible dimer configurations with favorable free energy are found to be unlikely. Finally, the simulations of the mAb association dynamics provide insights on the self-association responsible for bulk solution behavior and aggregation, which are important to the processing and the quality of biopharmaceuticals.

On the binding determinants of the glutamate agonist with the glutamate receptor ligand binding domain.

PubMed

Speranskiy, Kirill; Kurnikova, Maria

2005-08-30

Ionotropic glutamate receptors (GluRs) are ligand-gated membrane channel proteins found in the central neural system that mediate a fast excitatory response of neurons. In this paper, we report theoretical analysis of the ligand-protein interactions in the binding pocket of the S1S2 (ligand binding) domain of the GluR2 receptor in the closed conformation. By utilizing several theoretical methods ranging from continuum electrostatics to all-atom molecular dynamics simulations and quantum chemical calculations, we were able to characterize in detail glutamate agonist binding to the wild-type and E705D mutant proteins. A theoretical model of the protein-ligand interactions is validated via direct comparison of theoretical and Fourier transform infrared spectroscopy (FTIR) measured frequency shifts of the ligand's carboxylate group vibrations [Jayaraman et al. (2000) Biochemistry 39, 8693-8697; Cheng et al. (2002) Biochemistry 41, 1602-1608]. A detailed picture of the interactions in the binding site is inferred by analyzing contributions to vibrational frequencies produced by protein residues forming the ligand-binding pocket. The role of mobility and hydrogen-bonding network of water in the ligand-binding pocket and the contribution of protein residues exposed in the binding pocket to the binding and selectivity of the ligand are discussed. It is demonstrated that the molecular surface of the protein in the ligand-free state has mainly positive electrostatic potential attractive to the negatively charged ligand, and the potential produced by the protein in the ligand-binding pocket in the closed state is complementary to the distribution of the electrostatic potential produced by the ligand itself. Such charge complementarity ensures specificity to the unique charge distribution of the ligand.

Role of protein surface charge in monellin sweetness.

PubMed

Xue, Wei-Feng; Szczepankiewicz, Olga; Thulin, Eva; Linse, Sara; Carey, Jannette

2009-03-01

A small number of proteins have the unusual property of tasting intensely sweet. Despite many studies aimed at identifying their sweet taste determinants, the molecular basis of protein sweetness is not fully understood. Recent mutational studies of monellin have implicated positively charged residues in sweetness. In the present work, the effect of overall net charge was investigated using the complementary approach of negative charge alterations. Multiple substitutions of Asp/Asn and Glu/Gln residues radically altered the surface charge of single-chain monellin by removing six negative charges or adding four negative charges. Biophysical characterization using circular dichroism, fluorescence, and two-dimensional NMR demonstrates that the native fold of monellin is preserved in the variant proteins under physiological solution conditions although their stability toward chemical denaturation is altered. A human taste test was employed to determine the sweetness detection threshold of the variants. Removal of negative charges preserves monellin sweetness, whereas added negative charge has a large negative impact on sweetness. Meta-analysis of published charge variants of monellin and other sweet proteins reveals a general trend toward increasing sweetness with increasing positive net charge. Structural mapping of monellin variants identifies a hydrophobic surface predicted to face the receptor where introduced positive or negative charge reduces sweetness, and a polar surface where charges modulate long-range electrostatic complementarity.

Dynamic DNA devices and assemblies formed by shape-complementary, non-base pairing 3D components

NASA Astrophysics Data System (ADS)

Gerling, Thomas; Wagenbauer, Klaus F.; Neuner, Andrea M.; Dietz, Hendrik

2015-03-01

We demonstrate that discrete three-dimensional (3D) DNA components can specifically self-assemble in solution on the basis of shape-complementarity and without base pairing. Using this principle, we produced homo- and heteromultimeric objects, including micrometer-scale one- and two-stranded filaments and lattices, as well as reconfigurable devices, including an actuator, a switchable gear, an unfoldable nanobook, and a nanorobot. These multidomain assemblies were stabilized via short-ranged nucleobase stacking bonds that compete against electrostatic repulsion between the components’ interfaces. Using imaging by electron microscopy, ensemble and single-molecule fluorescence resonance energy transfer spectroscopy, and electrophoretic mobility analysis, we show that the balance between attractive and repulsive interactions, and thus the conformation of the assemblies, may be finely controlled by global parameters such as cation concentration or temperature and by an allosteric mechanism based on strand-displacement reactions.

Bioethical pluralism and complementarity.

PubMed

Grinnell, Frederick; Bishop, Jeffrey P; McCullough, Laurence B

2002-01-01

This essay presents complementarity as a novel feature of bioethical pluralism. First introduced by Neils Bohr in conjunction with quantum physics, complementarity in bioethics occurs when different perspectives account for equally important features of a situation but are mutually exclusive. Unlike conventional approaches to bioethical pluralism, which attempt in one fashion or another to isolate and choose between different perspectives, complementarity accepts all perspectives. As a result, complementarity results in a state of holistic, dynamic tension, rather than one that yields singular or final moral judgments.

Complementarity among four highly productive grassland species depends on resource availability.

PubMed

Roscher, Christiane; Schmid, Bernhard; Kolle, Olaf; Schulze, Ernst-Detlef

2016-06-01

Positive species richness-productivity relationships are common in biodiversity experiments, but how resource availability modifies biodiversity effects in grass-legume mixtures composed of highly productive species is yet to be explicitly tested. We addressed this question by choosing two grasses (Arrhenatherum elatius and Dactylis glomerata) and two legumes (Medicago × varia and Onobrychis viciifolia) which are highly productive in monocultures and dominant in mixtures (the Jena Experiment). We established monocultures, all possible two- and three-species mixtures, and the four-species mixture under three different resource supply conditions (control, fertilization, and shading). Compared to the control, community biomass production decreased under shading (-56 %) and increased under fertilization (+12 %). Net diversity effects (i.e., mixture minus mean monoculture biomass) were positive in the control and under shading (on average +15 and +72 %, respectively) and negative under fertilization (-10 %). Positive complementarity effects in the control suggested resource partitioning and facilitation of growth through symbiotic N2 fixation by legumes. Positive complementarity effects under shading indicated that resource partitioning is also possible when growth is carbon-limited. Negative complementarity effects under fertilization suggested that external nutrient supply depressed facilitative grass-legume interactions due to increased competition for light. Selection effects, which quantify the dominance of species with particularly high monoculture biomasses in the mixture, were generally small compared to complementarity effects, and indicated that these species had comparable competitive strengths in the mixture. Our study shows that resource availability has a strong impact on the occurrence of positive diversity effects among tall and highly productive grass and legume species.

Functional divergence in nitrogen uptake rates explains diversity-productivity relationship in microalgal communities

DOE PAGES

Mandal, Shovon; Shurin, Jonathan B.; Efroymson, Rebecca A.; ...

2018-05-23

The relationship between biodiversity and productivity has emerged as a central theme in ecology. Mechanistic explanations for this relationship suggest that the role organisms play in the ecosystem (i.e., niches or functional traits) is a better predictor of ecosystem stability and productivity than taxonomic richness. Here, we tested the capacity of functional diversity in nitrogen uptake in experimental microalgal communities to predict the complementarity effect (CE) and selection effect (SE) of biodiversity on productivity. We grew five algal species as monocultures and as polycultures in pairwise combinations in homogeneous (ammonium, nitrate, or urea alone) and heterogeneous nitrogen (mixed nitrogen) environmentsmore » to determine whether complementarity between species may be enhanced in heterogeneous environments. We show that the positive diversity effects on productivity in heterogeneous environments resulted from complementarity effects with no positive contribution by species–specific SEs. Positive biodiversity effects in homogeneous environments, when present (nitrate and urea treatments but not ammonium), were driven both by CE and SE. Our results suggest that functional diversity increases species complementarity and productivity mainly in heterogeneous resource environments. Furthermore, these results provide evidence that the positive effect of functional diversity on community productivity depends on the diversity of resources present in the environment.« less

Functional divergence in nitrogen uptake rates explains diversity-productivity relationship in microalgal communities

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

Mandal, Shovon; Shurin, Jonathan B.; Efroymson, Rebecca A.

The relationship between biodiversity and productivity has emerged as a central theme in ecology. Mechanistic explanations for this relationship suggest that the role organisms play in the ecosystem (i.e., niches or functional traits) is a better predictor of ecosystem stability and productivity than taxonomic richness. Here, we tested the capacity of functional diversity in nitrogen uptake in experimental microalgal communities to predict the complementarity effect (CE) and selection effect (SE) of biodiversity on productivity. We grew five algal species as monocultures and as polycultures in pairwise combinations in homogeneous (ammonium, nitrate, or urea alone) and heterogeneous nitrogen (mixed nitrogen) environmentsmore » to determine whether complementarity between species may be enhanced in heterogeneous environments. We show that the positive diversity effects on productivity in heterogeneous environments resulted from complementarity effects with no positive contribution by species–specific SEs. Positive biodiversity effects in homogeneous environments, when present (nitrate and urea treatments but not ammonium), were driven both by CE and SE. Our results suggest that functional diversity increases species complementarity and productivity mainly in heterogeneous resource environments. Furthermore, these results provide evidence that the positive effect of functional diversity on community productivity depends on the diversity of resources present in the environment.« less

Functional group diversity of bee pollinators increases crop yield

PubMed Central

Hoehn, Patrick; Tscharntke, Teja; Tylianakis, Jason M; Steffan-Dewenter, Ingolf

2008-01-01

Niche complementarity is a commonly invoked mechanism underlying the positive relationship between biodiversity and ecosystem functioning, but little empirical evidence exists for complementarity among pollinator species. This study related differences in three functional traits of pollinating bees (flower height preference, daily time of flower visitation and within-flower behaviour) to the seed set of the obligate cross-pollinated pumpkin Cucurbita moschata Duch. ex Poir. across a land-use intensity gradient from tropical rainforest and agroforests to grassland in Indonesia. Bee richness and abundance changed with habitat variables and we used this natural variation to test whether complementary resource use by the diverse pollinator community enhanced final yield. We found that pollinator diversity, but not abundance, was positively related to seed set of pumpkins. Bees showed species-specific spatial and temporal variation in flower visitation traits and within-flower behaviour, allowing for classification into functional guilds. Diversity of functional groups explained even more of the variance in seed set (r2=45%) than did species richness (r2=32%) highlighting the role of functional complementarity. Even though we do not provide experimental, but rather correlative evidence, we can link spatial and temporal complementarity in highly diverse pollinator communities to pollination success in the field, leading to enhanced crop yield without any managed honeybees. PMID:18595841

Environment sensitive fluorescent analogue of biologically active oxazoles differentially recognizes human serum albumin and bovine serum albumin: Photophysical and molecular modeling studies

NASA Astrophysics Data System (ADS)

Maiti, Jyotirmay; Biswas, Suman; Chaudhuri, Ankur; Chakraborty, Sandipan; Chakraborty, Sibani; Das, Ranjan

2017-03-01

An environment sensitive fluorophore, 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzoic acid (DMOBA), that closely mimics biologically active 2,5-disubstituited oxazoles has been designed to probe two homologous serum proteins, human serum albumin (HSA) and bovine serum albumin (BSA) by means of photophysical and molecular modeling studies. This fluorescent analogue exhibits solvent polarity sensitive fluorescence due to an intramolecular charge transfer in the excited state. In comparison to water, the steady state emission spectra of DMOBA in BSA is characterized by a greater blue shift ( 10 nm) and smaller Stokes' shift ( 5980 cm- 1) in BSA than HSA (Stokes'shift 6600 cm- 1), indicating less polar and more hydrophobic environment of the dye in the former than the latter. The dye-protein binding interactions are remarkably stronger for BSA than HSA which is evident from higher value of the association constant for the DMOBA-BSA complex (Ka 5.2 × 106 M- 1) than the DMOBA-HSA complex (Ka 1.0 × 106 M- 1). Fӧrster resonance energy transfer studies revealed remarkably less efficient energy transfer (8%) between the donor tryptophans in BSA and the acceptor DMOBA dye than that (30%) between the single tryptophan moiety in HSA and the dye, which is consistent with a much larger distance between the donor (tryptophan)-acceptor (dye) pair in BSA (34.5 Å) than HSA (25.4 Å). Site specific competitive binding assays have confirmed on the location of the dye in Sudlow's site II of BSA and in Sudlow's site I of HSA, respectively. Molecular modeling studies have shown that the fluorescent analogue is tightly packed in the binding site of BSA due to strong steric complementarity, where, binding of DMOBA to BSA is primarily dictated by the van der Waals and hydrogen bonding interactions. In contrast, in HSA the steric complementarity is less significant and binding is primarily guided by polar interactions and van der Waals interactions appear to be less significant in the formation of the HSA-DMOBA complex. Electrostatic interactions contribute significantly in the binding of DMOBA to HSA (- 2.09 kcal/mol) compared to BSA (- 0.47 kcal/mol). Electrostatic surface potential calculation reveals that the DMOBA binding site within HSA is highly charged compared to BSA.

Screening for the Location of RNA using the Chloride Ion Distribution in Simulations of Virus Capsids.

PubMed

Larsson, Daniel S D; van der Spoel, David

2012-07-10

The complete structure of the genomic material inside a virus capsid remains elusive, although a limited amount of symmetric nucleic acid can be resolved in the crystal structure of 17 icosahedral viruses. The negatively charged sugar-phosphate backbone of RNA and DNA as well as the large positive charge of the interior surface of the virus capsids suggest that electrostatic complementarity is an important factor in the packaging of the genomes in these viruses. To test how much packing information is encoded by the electrostatic and steric envelope of the capsid interior, we performed extensive all-atom molecular dynamics (MD) simulations of virus capsids with explicit water molecules and solvent ions. The model systems were two small plant viruses in which significant amounts of RNA has been observed by X-ray crystallography: satellite tobacco mosaic virus (STMV, 62% RNA visible) and satellite tobacco necrosis virus (STNV, 34% RNA visible). Simulations of half-capsids of these viruses with no RNA present revealed that the binding sites of RNA correlated well with regions populated by chloride ions, suggesting that it is possible to screen for the binding sites of nucleic acids by determining the equilibrium distribution of negative ions. By including the crystallographically resolved RNA in addition to ions, we predicted the localization of the unresolved RNA in the viruses. Both viruses showed a hot-spot for RNA binding at the 5-fold symmetry axis. The MD simulations were compared to predictions of the chloride density based on nonlinear Poisson-Boltzmann equation (PBE) calculations with mobile ions. Although the predictions are superficially similar, the PBE calculations overestimate the ion concentration close to the capsid surface and underestimate it far away, mainly because protein dynamics is not taken into account. Density maps from chloride screening can be used to aid in building atomic models of packaged virus genomes. Knowledge of the principles of genome packaging might be exploited for both antiviral therapy and technological applications.

Physical and chemical test results of electrostatic safe flooring materials

NASA Technical Reports Server (NTRS)

Gompf, R. H.

1988-01-01

This test program was initiated because a need existed at the Kennedy Space Center (KSC) to have this information readily available to the engineer who must make the choice of which electrostatic safe floor to use in a specific application. The information, however, should be of value throughout both the government and private industry in the selection of a floor covering material. Included are the test results of 18 floor covering materials which by test evaluation at KSC are considered electrostatically safe. Tests were done and/or the data compiled in the following areas: electrostatics, flammability, hypergolic compatibility, outgassing, floor type, material thickness, and available colors. Each section contains the test method used to gather the data and the test results.

Investigation of Electrostatic Accelerometer in HUST for Space Science Missions

NASA Astrophysics Data System (ADS)

Bai, Yanzheng; Hu, Ming; Li, Gui; Liu, Li; Qu, Shaobo; Wu, Shuchao; Zhou, Zebing

2014-05-01

High-precision electrostatic accelerometers are significant payload in CHAMP, GRACE and GOCE gravity missions to measure the non-gravitational forces. In our group, space electrostatic accelerometer and inertial sensor based on the capacitive sensors and electrostatic control technique has been investigated for space science research in China such as testing of equivalence principle (TEPO), searching non-Newtonian force in micrometer range, satellite Earth's field recovery and so on. In our group, a capacitive position sensor with a resolution of 10-7pF/Hz1/2 and the μV/Hz1/2 level electrostatic actuator are developed. The fiber torsion pendulum facility is adopt to measure the parameters of the electrostatic controlled inertial sensor such as the resolution, and the electrostatic stiffness, the cross couple between different DOFs. Meanwhile, high voltage suspension and free fall methods are applied to verify the function of electrostatic accelerometer. Last, the engineering model of electrostatic accelerometer has been developed and tested successfully in space and preliminary results are present.

Invasive carnivores alter ecological function and enhance complementarity in scavenger assemblages on ocean beaches.

PubMed

Brown, Marion B; Schlacher, Thomas A; Schoeman, David S; Weston, Michael A; Huijbers, Chantal M; Olds, Andrew D; Connolly, Rod M

2015-10-01

Species composition is expected to alter ecological function in assemblages if species traits differ strongly. Such effects are often large and persistent for nonnative carnivores invading islands. Alternatively, high similarity in traits within assemblages creates a degree of functional redundancy in ecosystems. Here we tested whether species turnover results in functional ecological equivalence or complementarity, and whether invasive carnivores on islands significantly alter such ecological function. The model system consisted of vertebrate scavengers (dominated by raptors) foraging on animal carcasses on ocean beaches on two Australian islands, one with and one without invasive red foxes (Vulpes vulpes). Partitioning of scavenging events among species, carcass removal rates, and detection speeds were quantified using camera traps baited with fish carcasses at the dune-beach interface. Complete segregation of temporal foraging niches between mammals (nocturnal) and birds (diurnal) reflects complementarity in carrion utilization. Conversely, functional redundancy exists within the bird guild where several species of raptors dominate carrion removal in a broadly similar way. As predicted, effects of red foxes were large. They substantially changed the nature and rate of the scavenging process in the system: (1) foxes consumed over half (55%) of all carrion available at night, compared with negligible mammalian foraging at night on the fox-free island, and (2) significant shifts in the composition of the scavenger assemblages consuming beach-cast carrion are the consequence of fox invasion at one island. Arguably, in the absence of other mammalian apex predators, the addition of red foxes creates a new dimension of functional complementarity in beach food webs. However, this functional complementarity added by foxes is neither benign nor neutral, as marine carrion subsidies to coastal red fox populations are likely to facilitate their persistence as exotic carnivores.

Reinforcement learning in complementarity game and population dynamics

NASA Astrophysics Data System (ADS)

Jost, Jürgen; Li, Wei

2014-02-01

We systematically test and compare different reinforcement learning schemes in a complementarity game [J. Jost and W. Li, Physica A 345, 245 (2005), 10.1016/j.physa.2004.07.005] played between members of two populations. More precisely, we study the Roth-Erev, Bush-Mosteller, and SoftMax reinforcement learning schemes. A modified version of Roth-Erev with a power exponent of 1.5, as opposed to 1 in the standard version, performs best. We also compare these reinforcement learning strategies with evolutionary schemes. This gives insight into aspects like the issue of quick adaptation as opposed to systematic exploration or the role of learning rates.

In Situ Test Method for the Electrostatic Characterization of Lunar Dust

NASA Technical Reports Server (NTRS)

Buhler, C. R.; Calle, Carlos I.; CLements, S. J.; Mantovani, J.; Ritz, M. I.

2007-01-01

This paper serves to illustrate the testing methods necessary to classify the electrostatic properties of lunar dust using in situ instrumentation and the required techniques therein. A review of electrostatic classification of lunar simulant materials is provided as is its relevance to the success of future human lunar missions.

Helping Lower Secondary Students Develop Conceptual Understanding of Electrostatic Forces

ERIC Educational Resources Information Center

Moynihan, Richard; van Kampen, Paul; Finlayson, Odilla; McLoughlin, Eilish

2016-01-01

This article describes the development of a lesson sequence that supports secondary-level students to construct an explanatory model for electrostatic attraction using a guided enquiry method. The students examine electrostatic interactions at a macro level and explain the phenomena at the atomic level. Pre-tests, post-tests, homework assignments…

Voyager spacecraft electrostatic discharge testing

NASA Technical Reports Server (NTRS)

Whittlesey, A.; Inouye, G.

1980-01-01

The program of environmental testing undergone by the Voyager spacecraft in order to simulate the transient voltage effects of electrostatic discharges expected in the energetic plasma environment of Jupiter is reported. The testing consists of studies of the electrostatic discharge characteristics of spacecraft dielectrics in a vacuum-chamber-electron beam facility, brief piece part sensitivity tests on such items as a MOSFET multiplexer and the grounding of the thermal blanket, and assembly tests of the magnetometer boom and the science boom. In addition, testing of a complete spacecraft was performed using two arc sources to simulate long and short duration discharge sources for successive spacecraft shielding and grounding improvements. Due to the testing program, both Voyager 1 and Voyager 2 experienced tolerable electrostatic discharge-caused transient anomalies in science and engineering subsystems, however, a closer duplication of the spacecraft environment is necessary to predict and design actual spacecraft responses more accurately.

Interpersonal complementarity in the mental health intake: a mixed-methods study.

PubMed

Rosen, Daniel C; Miller, Alisa B; Nakash, Ora; Halpern, Lucila; Halperin, Lucila; Alegría, Margarita

2012-04-01

The study examined which socio-demographic differences between clients and providers influenced interpersonal complementarity during an initial intake session; that is, behaviors that facilitate harmonious interactions between client and provider. Complementarity was assessed using blinded ratings of 114 videotaped intake sessions by trained observers. Hierarchical linear models were used to examine how match between client and provider in race/ethnicity, sex, and age were associated with levels of complementarity. A qualitative analysis investigated potential mechanisms that accounted for overall complementarity beyond match by examining client-provider dyads in the top and bottom quartiles of the complementarity measure. Results indicated significant interactions between client's race/ethnicity (Black) and provider's race/ethnicity (Latino) (p = .036) and client's age and provider's age (p = .044) on the Affiliation axis. The qualitative investigation revealed that client-provider interactions in the upper quartile of complementarity were characterized by consistent descriptions between the client and provider of concerns and expectations as well as depictions of what was important during the meeting. Results suggest that differences in social identities, although important, may be overcome by interpersonal variables early in the therapeutic relationship. Implications for both clinical practice and future research are discussed, as are factors relevant to working across cultures.

Complementarity and Area-Efficiency in the Prioritization of the Global Protected Area Network.

PubMed

Kullberg, Peter; Toivonen, Tuuli; Montesino Pouzols, Federico; Lehtomäki, Joona; Di Minin, Enrico; Moilanen, Atte

2015-01-01

Complementarity and cost-efficiency are widely used principles for protected area network design. Despite the wide use and robust theoretical underpinnings, their effects on the performance and patterns of priority areas are rarely studied in detail. Here we compare two approaches for identifying the management priority areas inside the global protected area network: 1) a scoring-based approach, used in recently published analysis and 2) a spatial prioritization method, which accounts for complementarity and area-efficiency. Using the same IUCN species distribution data the complementarity method found an equal-area set of priority areas with double the mean species ranges covered compared to the scoring-based approach. The complementarity set also had 72% more species with full ranges covered, and lacked any coverage only for half of the species compared to the scoring approach. Protected areas in our complementarity-based solution were on average smaller and geographically more scattered. The large difference between the two solutions highlights the need for critical thinking about the selected prioritization method. According to our analysis, accounting for complementarity and area-efficiency can lead to considerable improvements when setting management priorities for the global protected area network.

Modeling the Alzheimer Abeta17-42 fibril architecture: tight intermolecular sheet-sheet association and intramolecular hydrated cavities.

PubMed

Zheng, Jie; Jang, Hyunbum; Ma, Buyong; Tsai, Chung-Jun; Nussinov, Ruth

2007-11-01

We investigate Abeta(17-42) protofibril structures in solution using molecular dynamics simulations. Recently, NMR and computations modeled the Abeta protofibril as a longitudinal stack of U-shaped molecules, creating an in-parallel beta-sheet and loop spine. Here we study the molecular architecture of the fibril formed by spine-spine association. We model in-register intermolecular beta-sheet-beta-sheet associations and study the consequences of Alzheimer's mutations (E22G, E22Q, E22K, and M35A) on the organization. We assess the structural stability and association force of Abeta oligomers with different sheet-sheet interfaces. Double-layered oligomers associating through the C-terminal-C-terminal interface are energetically more favorable than those with the N-terminal-N-terminal interface, although both interfaces exhibit high structural stability. The C-terminal-C-terminal interface is essentially stabilized by hydrophobic and van der Waals (shape complementarity via M35-M35 contacts) intermolecular interactions, whereas the N-terminal-N-terminal interface is stabilized by hydrophobic and electrostatic interactions. Hence, shape complementarity, or the "steric zipper" motif plays an important role in amyloid formation. On the other hand, the intramolecular Abeta beta-strand-loop-beta-strand U-shaped motif creates a hydrophobic cavity with a diameter of 6-7 A, allowing water molecules and ions to conduct through. The hydrated hydrophobic cavities may allow optimization of the sheet association and constitute a typical feature of fibrils, in addition to the tight sheet-sheet association. Thus, we propose that Abeta fiber architecture consists of alternating layers of tight packing and hydrated cavities running along the fibrillar axis, which might be possibly detected by high-resolution imaging.

Modeling Ionization Events iduced by Protein Protein Binding

NASA Astrophysics Data System (ADS)

Mitra, Rooplekha; Shyam, Radhey; Alexov, Emil

2009-11-01

The association of two or more biological macromolecules dramatically change the environment of the amino acids situated at binding interface and could change ionization states of titratable groups. The change of ionization due to the binding results in proton uptake/release and causes pH-dependence of the binding free energy. We apply computational method, as implemented in Multi Conformation Continuum Electrostatics (MCCE) algorithm, to study protonation evens on a large set of protein-protein complexes. Our results indicate that proton uptake/release is a common phenomena in protein binding since in vast majority of the cases (70%) the binding caused at least 0.5 units proton change. The proton uptake/release was further investigated with respect to interfacial area and charges of the monomers and it was found that macroscopic characteristics are not important determinants. Instead, charge complementarity across the interface and the number of unpaired ionizable groups at the interface are the primary source of proton uptake/release.

Affiliation and control in marital interaction: interpersonal complementarity is present but is not associated with affect or relationship quality.

PubMed

Cundiff, Jenny M; Smith, Timothy W; Butner, Jonathan; Critchfield, Kenneth L; Nealey-Moore, Jill

2015-01-01

The principle of complementarity in interpersonal theory states that an actor's behavior tends to "pull, elicit, invite, or evoke" responses from interaction partners who are similar in affiliation (i.e., warmth vs. hostility) and opposite in control (i.e., dominance vs. submissiveness). Furthermore, complementary interactions are proposed to evoke less negative affect and promote greater relationship satisfaction. These predictions were examined in two studies of married couples. Results suggest that complementarity in affiliation describes a robust general pattern of marital interaction, but complementarity in control varies across contexts. Consistent with behavioral models of marital interaction, greater levels of affiliation and lower control by partners-not complementarity in affiliation or control-were associated with less anger and anxiety and greater relationship quality. Partners' levels of affiliation and control combined in ways other than complementarity-mostly additively, but sometimes synergistically-to predict negative affect and relationship satisfaction. © 2014 by the Society for Personality and Social Psychology, Inc.

Interpersonal Complementarity in the Mental Health Intake: A Mixed-Methods Study

ERIC Educational Resources Information Center

Rosen, Daniel C.; Miller, Alisa B.; Nakash, Ora; Halperin, Lucila; Alegria, Margarita

2012-01-01

The study examined which socio-demographic differences between clients and providers influenced interpersonal complementarity during an initial intake session; that is, behaviors that facilitate harmonious interactions between client and provider. Complementarity was assessed using blinded ratings of 114 videotaped intake sessions by trained…

Environment sensitive fluorescent analogue of biologically active oxazoles differentially recognizes human serum albumin and bovine serum albumin: Photophysical and molecular modeling studies.

PubMed

Maiti, Jyotirmay; Biswas, Suman; Chaudhuri, Ankur; Chakraborty, Sandipan; Chakraborty, Sibani; Das, Ranjan

2017-03-15

An environment sensitive fluorophore, 4-(5-(4-(dimethylamino)phenyl)oxazol-2-yl)benzoic acid (DMOBA), that closely mimics biologically active 2,5-disubstituited oxazoles has been designed to probe two homologous serum proteins, human serum albumin (HSA) and bovine serum albumin (BSA) by means of photophysical and molecular modeling studies. This fluorescent analogue exhibits solvent polarity sensitive fluorescence due to an intramolecular charge transfer in the excited state. In comparison to water, the steady state emission spectra of DMOBA in BSA is characterized by a greater blue shift (~10nm) and smaller Stokes' shift (~5980cm -1 ) in BSA than HSA (Stokes'shift~6600cm -1 ), indicating less polar and more hydrophobic environment of the dye in the former than the latter. The dye-protein binding interactions are remarkably stronger for BSA than HSA which is evident from higher value of the association constant for the DMOBA-BSA complex (K a ~5.2×10 6 M -1 ) than the DMOBA-HSA complex (K a ~1.0×10 6 M -1 ). Fӧrster resonance energy transfer studies revealed remarkably less efficient energy transfer (8%) between the donor tryptophans in BSA and the acceptor DMOBA dye than that (30%) between the single tryptophan moiety in HSA and the dye, which is consistent with a much larger distance between the donor (tryptophan)-acceptor (dye) pair in BSA (34.5Å) than HSA (25.4Å). Site specific competitive binding assays have confirmed on the location of the dye in Sudlow's site II of BSA and in Sudlow's site I of HSA, respectively. Molecular modeling studies have shown that the fluorescent analogue is tightly packed in the binding site of BSA due to strong steric complementarity, where, binding of DMOBA to BSA is primarily dictated by the van der Waals and hydrogen bonding interactions. In contrast, in HSA the steric complementarity is less significant and binding is primarily guided by polar interactions and van der Waals interactions appear to be less significant in the formation of the HSA-DMOBA complex. Electrostatic interactions contribute significantly in the binding of DMOBA to HSA (-2.09kcal/mol) compared to BSA (-0.47kcal/mol). Electrostatic surface potential calculation reveals that the DMOBA binding site within HSA is highly charged compared to BSA. Copyright © 2016 Elsevier B.V. All rights reserved.

Computational sequence analysis of predicted long dsRNA transcriptomes of major crops reveals sequence complementarity with human genes.

PubMed

Jensen, Peter D; Zhang, Yuanji; Wiggins, B Elizabeth; Petrick, Jay S; Zhu, Jin; Kerstetter, Randall A; Heck, Gregory R; Ivashuta, Sergey I

2013-01-01

Long double-stranded RNAs (long dsRNAs) are precursors for the effector molecules of sequence-specific RNA-based gene silencing in eukaryotes. Plant cells can contain numerous endogenous long dsRNAs. This study demonstrates that such endogenous long dsRNAs in plants have sequence complementarity to human genes. Many of these complementary long dsRNAs have perfect sequence complementarity of at least 21 nucleotides to human genes; enough complementarity to potentially trigger gene silencing in targeted human cells if delivered in functional form. However, the number and diversity of long dsRNA molecules in plant tissue from crops such as lettuce, tomato, corn, soy and rice with complementarity to human genes that have a long history of safe consumption supports a conclusion that long dsRNAs do not present a significant dietary risk.

Interaction between Stray Electrostatic Fields and a Charged Free-Falling Test Mass

NASA Astrophysics Data System (ADS)

Antonucci, F.; Cavalleri, A.; Dolesi, R.; Hueller, M.; Nicolodi, D.; Tu, H. B.; Vitale, S.; Weber, W. J.

2012-05-01

We present an experimental analysis of force noise caused by stray electrostatic fields acting on a charged test mass inside a conducting enclosure, a key problem for precise gravitational experiments. Measurement of the average field that couples to the test mass charge, and its fluctuations, is performed with two independent torsion pendulum techniques, including direct measurement of the forces caused by a change in electrostatic charge. We analyze the problem with an improved electrostatic model that, coupled with the experimental data, also indicates how to correctly measure and null the stray field that interacts with the test mass charge. Our measurements allow a conservative upper limit on acceleration noise, of 2(fm/s2)/Hz1/2 for frequencies above 0.1 mHz, for the interaction between stray fields and charge in the LISA gravitational wave mission.

Don't kill canaries! Introducing a new test device to assess the electrostatic risk potential to photomasks

NASA Astrophysics Data System (ADS)

Sebald, Thomas

2008-10-01

Electrostatic protection is an issue for all masks, whether during mask production, shipping, storage, handling or inspection and exposure. Up to now, only manual electrostatic field measurements, or expensive and elaborate analyses with Canary reticles have given hints about the risks of pattern damage by ESD events. A new test device is being introduced, which consists of electrostatic field sensors, integrated INSIDE a closed fused quartz housing which has the outside dimensions of a 6 inch mask. This device can be handled and used like a normal 6 inch reticle. It can be handled and processed while recording the electrostatic charges on the chrome patterns created by friction or field induction just as a reticle would "see" during normal processing.

Testing electrostatic equilibrium in the ionosphere by detailed comparison of ground magnetic deflection and incoherent scatter radar.

NASA Astrophysics Data System (ADS)

Cosgrove, R. B.; Schultz, A.; Imamura, N.

2016-12-01

Although electrostatic equilibrium is always assumed in the ionosphere, there is no good theoretical or experimental justification for the assumption. In fact, recent theoretical investigations suggest that the electrostatic assumption may be grossly in error. If true, many commonly used modeling methods are placed in doubt. For example, the accepted method for calculating ionospheric conductance??field line integration??may be invalid. In this talk we briefly outline the theoretical research that places the electrostatic assumption in doubt, and then describe how comparison of ground magnetic field data with incoherent scatter radar (ISR) data can be used to test the electrostatic assumption in the ionosphere. We describe a recent experiment conducted for the purpose, where an array of magnetometers was temporalily installed under the Poker Flat AMISR.

The fully actuated traffic control problem solved by global optimization and complementarity

NASA Astrophysics Data System (ADS)

Ribeiro, Isabel M.; de Lurdes de Oliveira Simões, Maria

2016-02-01

Global optimization and complementarity are used to determine the signal timing for fully actuated traffic control, regarding effective green and red times on each cycle. The average values of these parameters can be used to estimate the control delay of vehicles. In this article, a two-phase queuing system for a signalized intersection is outlined, based on the principle of minimization of the total waiting time for the vehicles. The underlying model results in a linear program with linear complementarity constraints, solved by a sequential complementarity algorithm. Departure rates of vehicles during green and yellow periods were treated as deterministic, while arrival rates of vehicles were assumed to follow a Poisson distribution. Several traffic scenarios were created and solved. The numerical results reveal that it is possible to use global optimization and complementarity over a reasonable number of cycles and determine with efficiency effective green and red times for a signalized intersection.

Pyrotechnic hazards classification and evaluation program. Electrostatic vulnerability of the E8 and XM15/XM165 clusters, phase 2

NASA Technical Reports Server (NTRS)

1971-01-01

An investigation into the electrostatic phenomena associated with the manufacturing and handling of explosives is discussed. The testing includes measurement of the severity of the primary charge generation mechanism, triboelectric effects between dissimilar surfaces; refinement of equivalent circuits of the XM15/XM165 and E8 fuse trains; evaluation of the electrostatic spark discharge characteristics predicted by an equivalent circuit analysis; and determination of the spark ignition sensitivity of materials, components, junctions, and subassemblies which compose the XM15/XM165 and E8 units. Special studies were also performed. These special tests included ignition sensitivity of the complete XM15 fuse train when subjected to discharges through its entire length, measurement of electrostatic potentials which occur during the E8 foaming operation during fabrication, and investigation of the inadvertent functioning of an XM15 cluster during manufacturing. The test results are discussed and related to the effectiveness of suggested modification to reduce the electrostatic ignition sensitivity.

The insulation of copper wire by the electrostatic coating process

NASA Astrophysics Data System (ADS)

Wells, M. G. H.

1983-06-01

A review of the fluidized bed electrostatic coating process and materials available for application to flat copper conductor has been made. Lengths of wire were rolled and electrostatically coated with two epoxy insulations. Electrical tests were made in air on coated samples at room and elevated temperatures. Compatibility tests in the cooling/lubricating turbine oil at temperatures up to 220 deg. C were also made. Recommendations for additional work are provided.

Interaction between stray electrostatic fields and a charged free-falling test mass.

PubMed

Antonucci, F; Cavalleri, A; Dolesi, R; Hueller, M; Nicolodi, D; Tu, H B; Vitale, S; Weber, W J

2012-05-04

We present an experimental analysis of force noise caused by stray electrostatic fields acting on a charged test mass inside a conducting enclosure, a key problem for precise gravitational experiments. Measurement of the average field that couples to the test mass charge, and its fluctuations, is performed with two independent torsion pendulum techniques, including direct measurement of the forces caused by a change in electrostatic charge. We analyze the problem with an improved electrostatic model that, coupled with the experimental data, also indicates how to correctly measure and null the stray field that interacts with the test mass charge. Our measurements allow a conservative upper limit on acceleration noise, of 2  (fm/s2)/Hz(1/2) for frequencies above 0.1 mHz, for the interaction between stray fields and charge in the LISA gravitational wave mission.

Determining the mechanism by which fish diversity influences production.

PubMed

Carey, Michael P; Wahl, David H

2011-09-01

Understanding the ability of biodiversity to govern ecosystem function is essential with current pressures on natural communities from species invasions and extirpations. Changes in fish communities can be a major determinant of food web dynamics, and even small shifts in species composition or richness can translate into large effects on ecosystems. In addition, there is a large information gap in extrapolating results of small-scale biodiversity-ecosystem function experiments to natural systems with realistic environmental complexity. Thus, we tested the key mechanisms (resource complementarity and selection effect) for biodiversity to influence fish production in mesocosms and ponds. Fish diversity treatments were created by replicating species richness and species composition within each richness level. In mesocosms, increasing richness had a positive effect on fish biomass with an overyielding pattern indicating species mixtures were more productive than any individual species. Additive partitioning confirmed a positive net effect of biodiversity driven by a complementarity effect. Productivity was less affected by species diversity when species were more similar. Thus, the primary mechanism driving fish production in the mesocosms was resource complementarity. In the ponds, the mechanism driving fish production changed through time. The key mechanism was initially resource complementarity until production was influenced by the selection effect. Varying strength of intraspecific interactions resulting from differences in resource levels and heterogeneity likely caused differences in mechanisms between the mesocosm and pond experiments, as well as changes through time in the ponds. Understanding the mechanisms by which fish diversity governs ecosystem function and how environmental complexity and resource levels alter these relationships can be used to improve predictions for natural systems.

The role of charged surface residues in the binding ability of small hubs in protein-protein interaction networks

PubMed Central

Patil, Ashwini; Nakamura, Haruki

2007-01-01

Hubs are highly connected proteins in a protein-protein interaction network. Previous work has implicated disordered domains and high surface charge as the properties significant in the ability of hubs to bind multiple proteins. While conformational flexibility of disordered domains plays an important role in the binding ability of large hubs, high surface charge is the dominant property in small hubs. In this study, we further investigate the role of the high surface charge in the binding ability of small hubs in the absence of disordered domains. Using multipole expansion, we find that the charges are highly distributed over the hub surfaces. Residue enrichment studies show that the charged residues in hubs are more prevalent on the exposed surface, with the exception of Arg, which is predominantly found at the interface, as compared to non-hubs. This suggests that the charged residues act primarily from the exposed surface rather than the interface to affect the binding ability of small hubs. They do this through (i) enhanced intra-molecular electrostatic interactions to lower the desolvation penalty, (ii) indirect long – range intermolecular interactions with charged residues on the partner proteins for better complementarity and electrostatic steering, and (iii) increased solubility for enhanced diffusion-controlled rate of binding. Along with Arg, we also find a high prevalence of polar residues Tyr, Gln and His and the hydrophobic residue Met at the interfaces of hubs, all of which have the ability to form multiple types of interactions, indicating that the interfaces of hubs are optimized to participate in multiple interactions. PMID:27857564

The role of charged surface residues in the binding ability of small hubs in protein-protein interaction networks.

PubMed

Patil, Ashwini; Nakamura, Haruki

2007-01-01

Hubs are highly connected proteins in a protein-protein interaction network. Previous work has implicated disordered domains and high surface charge as the properties significant in the ability of hubs to bind multiple proteins. While conformational flexibility of disordered domains plays an important role in the binding ability of large hubs, high surface charge is the dominant property in small hubs. In this study, we further investigate the role of the high surface charge in the binding ability of small hubs in the absence of disordered domains. Using multipole expansion, we find that the charges are highly distributed over the hub surfaces. Residue enrichment studies show that the charged residues in hubs are more prevalent on the exposed surface, with the exception of Arg, which is predominantly found at the interface, as compared to non-hubs. This suggests that the charged residues act primarily from the exposed surface rather than the interface to affect the binding ability of small hubs. They do this through (i) enhanced intra-molecular electrostatic interactions to lower the desolvation penalty, (ii) indirect long - range intermolecular interactions with charged residues on the partner proteins for better complementarity and electrostatic steering, and (iii) increased solubility for enhanced diffusion-controlled rate of binding. Along with Arg, we also find a high prevalence of polar residues Tyr, Gln and His and the hydrophobic residue Met at the interfaces of hubs, all of which have the ability to form multiple types of interactions, indicating that the interfaces of hubs are optimized to participate in multiple interactions.

Positive Charges on the Surface of Thaumatin Are Crucial for the Multi-Point Interaction with the Sweet Receptor.

PubMed

Masuda, Tetsuya; Kigo, Satomi; Mitsumoto, Mayuko; Ohta, Keisuke; Suzuki, Mamoru; Mikami, Bunzo; Kitabatake, Naofumi; Tani, Fumito

2018-01-01

Thaumatin, an intensely sweet-tasting protein, elicits sweet taste with a threshold of only 50 nM. Previous studies from our laboratory suggested that the complex model between the T1R2-T1R3 sweet receptor and thaumatin depends critically on the complementarity of electrostatic potentials. In order to further validate this model, we focused on three lysine residues (Lys78, Lys106, and Lys137), which were expected to be part of the interaction sites. Three thaumatin mutants (K78A, K106A, and K137A) were prepared and their threshold values of sweetness were examined. The results showed that the sweetness of K106A was reduced by about three times and those of K78A and K137A were reduced by about five times when compared to wild-type thaumatin. The three-dimensional structures of these mutants were also determined by X-ray crystallographic analyses at atomic resolutions. The overall structures of mutant proteins were similar to that of wild-type but the electrostatic potentials around the mutated sites became more negative. Since the three lysine residues are located in 20-40 Å apart each other on the surface of thaumatin molecule, these results suggest the positive charges on the surface of thaumatin play a crucial role in the interaction with the sweet receptor, and are consistent with a large surface is required for interaction with the sweet receptor, as proposed by the multipoint interaction model named wedge model.

Linear complementarity formulation for 3D frictional sliding problems

USGS Publications Warehouse

Kaven, Joern; Hickman, Stephen H.; Davatzes, Nicholas C.; Mutlu, Ovunc

2012-01-01

Frictional sliding on quasi-statically deforming faults and fractures can be modeled efficiently using a linear complementarity formulation. We review the formulation in two dimensions and expand the formulation to three-dimensional problems including problems of orthotropic friction. This formulation accurately reproduces analytical solutions to static Coulomb friction sliding problems. The formulation accounts for opening displacements that can occur near regions of non-planarity even under large confining pressures. Such problems are difficult to solve owing to the coupling of relative displacements and tractions; thus, many geomechanical problems tend to neglect these effects. Simple test cases highlight the importance of including friction and allowing for opening when solving quasi-static fault mechanics models. These results also underscore the importance of considering the effects of non-planarity in modeling processes associated with crustal faulting.

Complementarity effects on tree growth are contingent on tree size and climatic conditions across Europe

PubMed Central

Madrigal-González, Jaime; Ruiz-Benito, Paloma; Ratcliffe, Sophia; Calatayud, Joaquín; Kändler, Gerald; Lehtonen, Aleksi; Dahlgren, Jonas; Wirth, Christian; Zavala, Miguel A.

2016-01-01

Neglecting tree size and stand structure dynamics might bias the interpretation of the diversity-productivity relationship in forests. Here we show evidence that complementarity is contingent on tree size across large-scale climatic gradients in Europe. We compiled growth data of the 14 most dominant tree species in 32,628 permanent plots covering boreal, temperate and Mediterranean forest biomes. Niche complementarity is expected to result in significant growth increments of trees surrounded by a larger proportion of functionally dissimilar neighbours. Functional dissimilarity at the tree level was assessed using four functional types: i.e. broad-leaved deciduous, broad-leaved evergreen, needle-leaved deciduous and needle-leaved evergreen. Using Linear Mixed Models we show that, complementarity effects depend on tree size along an energy availability gradient across Europe. Specifically: (i) complementarity effects at low and intermediate positions of the gradient (coldest-temperate areas) were stronger for small than for large trees; (ii) in contrast, at the upper end of the gradient (warmer regions), complementarity is more widespread in larger than smaller trees, which in turn showed negative growth responses to increased functional dissimilarity. Our findings suggest that the outcome of species mixing on stand productivity might critically depend on individual size distribution structure along gradients of environmental variation. PMID:27571971

Shape Complementarity of Protein-Protein Complexes at Multiple Resolutions

PubMed Central

Zhang, Qing; Sanner, Michel; Olson, Arthur J.

2010-01-01

Biological complexes typically exhibit intermolecular interfaces of high shape complementarity. Many computational docking approaches use this surface complementarity as a guide in the search for predicting the structures of protein-protein complexes. Proteins often undergo conformational changes in order to create a highly complementary interface when associating. These conformational changes are a major cause of failure for automated docking procedures when predicting binding modes between proteins using their unbound conformations. Low resolution surfaces in which high frequency geometric details are omitted have been used to address this problem. These smoothed, or blurred, surfaces are expected to minimize the differences between free and bound structures, especially those that are due to side chain conformations or small backbone deviations. In spite of the fact that this approach has been used in many docking protocols, there has yet to be a systematic study of the effects of such surface smoothing on the shape complementarity of the resulting interfaces. Here we investigate this question by computing shape complementarity of a set of 66 protein-protein complexes represented by multi-resolution blurred surfaces. Complexed and unbound structures are available for these protein-protein complexes. They are a subset of complexes from a non-redundant docking benchmark selected for rigidity (i.e. the proteins undergo limited conformational changes between their bound and unbound states). In this work we construct the surfaces by isocontouring a density map obtained by accumulating the densities of Gaussian functions placed at all atom centers of the molecule. The smoothness or resolution is specified by a Gaussian fall-off coefficient, termed “blobbyness”. Shape complementarity is quantified using a histogram of the shortest distances between two proteins' surface mesh vertices for both the crystallographic complexes and the complexes built using the protein structures in their unbound conformation. The histograms calculated for the bound complex structures demonstrate that medium resolution smoothing (blobbyness=−0.9) can reproduce about 88% of the shape complementarity of atomic resolution surfaces. Complexes formed from the free component structures show a partial loss of shape complementarity (more overlaps and gaps) with the atomic resolution surfaces. For surfaces smoothed to low resolution (blobbyness=−0.3), we find more consistency of shape complementarity between the complexed and free cases. To further reduce bad contacts without significantly impacting the good contacts we introduce another blurred surface, in which the Gaussian densities of flexible atoms are reduced. From these results we discuss the use of shape complementarity in protein-protein docking. PMID:18837463

A hypothetical complex between crystalline flavocytochrome b2 and cytochrome c.

PubMed

Tegoni, M; White, S A; Roussel, A; Mathews, F S; Cambillau, C

1993-08-01

Flavocytochrome b2 and cytochrome c are physiological electron transfer partners in yeast mitochondria. The formation of a stable complex between them has been demonstrated both in solution and in the crystalline state. On the basis of the three-dimensional structures, using molecular modeling and energy minimization, we have generated a hypothetical model for the interaction of these redox partners in the crystal lattice. General criteria such as good charge and surface complementarity, plausible orientation, and separation distance of the prosthetic groups, as well as more specific criteria such as the stoichiometry determined in the crystal, and the involvement of both domains and of more than one subunit of flavocytochrome b2 led us to discriminate between several possible interaction sites. In the hypothetical model we present, four cytochrome c molecules interact with a tetramer of flavocytochrome b2. The b2 and c hemes are coplanar, with an edge-to-edge distance of 14 A. The contact surface area is ca. 800 A2. Several electrostatic interactions involving the flavin and the heme domains of flavocytochrome b2 stabilize the binding of cytochrome c.

Solution structure of Apaf-1 CARD and its interaction with caspase-9 CARD: a structural basis for specific adaptor/caspase interaction.

PubMed

Zhou, P; Chou, J; Olea, R S; Yuan, J; Wagner, G

1999-09-28

Direct recruitment and activation of caspase-9 by Apaf-1 through the homophilic CARD/CARD (Caspase Recruitment Domain) interaction is critical for the activation of caspases downstream of mitochondrial damage in apoptosis. Here we report the solution structure of the Apaf-1 CARD domain and its surface of interaction with caspase-9 CARD. Apaf-1 CARD consists of six tightly packed amphipathic alpha-helices and is topologically similar to the RAIDD CARD, with the exception of a kink observed in the middle of the N-terminal helix. By using chemical shift perturbation data, the homophilic interaction was mapped to the acidic surface of Apaf-1 CARD centered around helices 2 and 3. Interestingly, a significant portion of the chemically perturbed residues are hydrophobic, indicating that in addition to the electrostatic interactions predicted previously, hydrophobic interaction is also an important driving force underlying the CARD/CARD interaction. On the basis of the identified functional residues of Apaf-1 CARD and the surface charge complementarity, we propose a model of CARD/CARD interaction between Apaf-1 and caspase-9.

The Crystal Structure of Coxsackievirus A21 and Its Interaction with ICAM-1

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

Xiao, Chuan; Bator-Kelly, Carol M.; Rieder, Elizabeth

2010-11-30

CVA21 and polioviruses both belong to the Enterovirus genus in the family of Picornaviridae, whereas rhinoviruses form a distinct picornavirus genus. Nevertheless, CVA21 and the major group of human rhinoviruses recognize intercellular adhesion molecule-1 (ICAM-1) as their cellular receptor, whereas polioviruses use poliovirus receptor. The crystal structure of CVA21 has been determined to 3.2 {angstrom} resolution. Its structure has greater similarity to poliovirus structures than to other known picornavirus structures. Cryo-electron microscopy (cryo-EM) was used to determine an 8.0 {angstrom} resolution structure of CVA21 complexed with an ICAM-1 variant, ICAM-1{sup Kilifi}. The cryo-EM map was fitted with the crystal structuresmore » of ICAM-1 and CVA21. Significant differences in the structure of CVA21 with respect to the poliovirus structures account for the inability of ICAM-1 to bind polioviruses. The interface between CVA21 and ICAM-1 has shape and electrostatic complementarity with many residues being conserved among those CVAs that bind ICAM-1.« less

NDI and DAN DNA: nucleic acid-directed assembly of NDI and DAN.

PubMed

Ikkanda, Brian A; Samuel, Stevan A; Iverson, Brent L

2014-03-07

Two novel DNA base surrogate phosphoramidites 1 and 2, based upon relatively electron-rich 1,5-dialkoxynaphthalene (DAN) and relatively electron-deficient 1,4,5,8-naphthalenetetracarboxylic diimide (NDI), respectively, were designed, synthesized, and incorporated into DNA oligonucleotide strands. The DAN and NDI artificial DNA bases were inserted within a three-base-pair region within the interior of a 12-mer oligonucleotide duplex in various sequential arrangements and investigated with CD spectroscopy and UV melting curve analysis. The CD spectra of the modified duplexes indicated B-form DNA topology. Melting curve analyses revealed trends in DNA duplex stability that correlate with the known association of DAN and NDI moieties in aqueous solution as well as the known favorable interactions between NDI and natural DNA base pairs. This demonstrates that DNA duplex stability and specificity can be driven by the electrostatic complementarity between DAN and NDI. In the most favorable case, an NDI-DAN-NDI arrangement in the middle of the DNA duplex was found to be approximately as stabilizing as three A-T base pairs.

Complementarity of genuine multipartite Bell nonlocality

NASA Astrophysics Data System (ADS)

Sami, Sasha; Chakrabarty, Indranil; Chaturvedi, Anubhav

2017-08-01

We introduce a feature of no-signaling (Bell) nonlocal theories: namely, when a system of multiple parties manifests genuine nonlocal correlation, then there cannot be arbitrarily high nonlocal correlation among any subset of the parties. We call this feature complementarity of genuine multipartite nonlocality. We use Svetlichny's criterion for genuine multipartite nonlocality and nonlocal games to derive the complementarity relations under no-signaling constraints. We find that the complementarity relations are tightened for the much stricter quantum constraints. We compare this notion with the well-known notion of monogamy of nonlocality. As a consequence, we obtain tighter nontrivial monogamy relations that take into account genuine multipartite nonlocality. Furthermore, we provide numerical evidence showcasing this feature using a bipartite measure and several other well-known tripartite measures of nonlocality.

Electrostatic Evaluation of the Propellant Handlers Ensemble

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Buhler, Charles

2006-01-01

The Self-Contained Atmospheric Protective Ensemble (SCAPE) used in propellant handling at NASA's Kennedy Space Center (KSC) has recently completed a series of tests to determine its electrostatic properties of the coverall fabric used in the Propellant Handlers Ensemble (PHE). Understanding these electrostatic properties are fundamental to ensuring safe operations when working with flammable rocket propellants such as hydrazine, methyl hydrazine, and unsymmetrical dimethyl hydrazine. These tests include surface resistivity, charge decay, triboelectric charging, and flame incendivity. In this presentation, we will discuss the results of these tests on the current PHE as well as new fabrics and materials being evaluated for the next generation of PHE.

UNIVERSITY OF WASHINGTON ELECTROSTATIC SCRUBBER TESTS AT A COAL-FIRED POWER PLANT

EPA Science Inventory

The report gives results of tests of a 1700 cu m/hr University of Washington Electrostatic Spray Scrubber pilot plant on a coal-fired boiler to demonstrate its effectiveness for controlling fine particle emissions. The multiple-pass, portable pilot plant combines oppositely charg...

Interpersonal Attraction and Machiavellianism: A Study of Roommate Pairs.

ERIC Educational Resources Information Center

Riedel, Marc; Thew, Karen

The study attempts to test hypotheses derived from the model of interpersonal attraction suggested by Kerckhoff and Davis, who investigated the issue of need complementarity versus similarity in their longitudinal research upon couples who were engaged or otherwise seriously attached and who proposed that homogamy in social attributes is…

Sensitivity Testing of RDX/Aluminum Powdered Explosive Mixtures for the Improved Dispersed Explosives (IDX) Project

DTIC Science & Technology

1993-04-01

perpendicular to the pipe axis. During assembly, the threads are lubricated and Teflon tape is used for sealing. Aluminum witness plates (25.4 mm thick...3.3 Electrostatic Discharge ( ESD ) ................................. 7 4. INTERMEDIATE-SCALE SENSITIVITY TESTING ..................... 8 4.1 Card Gap...tests include the DWIT, friction, and electrostatic discharge ( ESD ) tests. The purpose of these tests is to enable the researcher to ensure that the

Reciprocal and Complementary Sibling Interactions: Relations with Socialization Outcomes in the Kindergarten Classroom

PubMed Central

Harrist, Amanda W.; Achacoso, Joseph A.; John, Aesha; Pettit, Gregory S.; Bates, John E.; Dodge, Kenneth A.

2013-01-01

Research Findings To examine associations between sibling interaction patterns and later social outcomes in single- and two-parent families, 113 kindergarteners took part in naturalistic observations at home with siblings, classmates participated in sociometric interviews, and teachers completed behavior ratings. Sibling interactions were coded using a newly-developed 39-item checklist, and proportions of complementary and reciprocal sibling interactions computed. Complementarity occurred more among dyads where kindergartners were with toddler or infant siblings than among kindergartners with older or near-age younger siblings. Higher levels of complementarity predicted lower levels of internalizing but were not related to externalizing problems. Kindergartners’ sociometric status in the classroom differed as a function of sibling interaction patterns, with neglected and controversial children experiencing less complementarity/more reciprocity than popular, average, and rejected children. Finally, there was some evidence for differential associations of sibling interaction patterns with social outcomes for children in single- versus two-parent families: regressions testing interaction effects show sibling reciprocity positively associated with kindergartners’ social skills only in single-parent families, and complementary sibling interactions positively related to internalizing problems only in two-parent families. Implications for Practice Those working with divorcing or other single-parent families might consider sibling interactions as a potential target for social skill building. PMID:26005311

Application of Glow Discharge Plasma to Alter Surface Properties of Materials

NASA Technical Reports Server (NTRS)

Trigwell, Steve; Buhler, Charles R.; Calle, Carlos I.

2005-01-01

Some polymer materials that are considered important for spaceport operations are rendered noncompliant when subjected to the Kennedy Space Center (KSC) Standard electrostatic testing. These materials operate in stringent environmental conditions, such as high humidity. Treating materials that fail electrostatic testing and altering their surface properties so that they become compliant would result in considerable cost savings. Significant improvement in electrostatic dissipation of Saf-T-Vu PVC after treatment with air Atmospheric Plasma Glow Discharge (APGD) was observed and the material now passed the KSC electrostatic test. The O:C ratio on the surface, as monitored by X-ray Photoelectron Spectroscopy, increased from 0.165 tO 0.275 indicating enhanced oxidation, and surface contact angle measurements decreased from 107.5 to 72.6 showing increased hydrophilicity that accounted for the increased conductivity. Monitoring of the aging showed that the materials hydrophobic recovery resulted in it failing the electrostatic test 30 hours after treatment. This was probably due to the out-diffusion of the added Zn, Ba, and Cd salt stabilizers detected on the surface and/or diffusion of low molecular weight oligomers. On going work includes improving the long term hydrophilicity by optimizing the APGD process with different gas mixtures. Treatment of other spaceport materials is also presented.

Private algebras in quantum information and infinite-dimensional complementarity

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

Crann, Jason, E-mail: jason-crann@carleton.ca; Laboratoire de Mathématiques Paul Painlevé–UMR CNRS 8524, UFR de Mathématiques, Université Lille 1–Sciences et Technologies, 59655 Villeneuve d’Ascq Cédex; Kribs, David W., E-mail: dkribs@uoguelph.ca

We introduce a generalized framework for private quantum codes using von Neumann algebras and the structure of commutants. This leads naturally to a more general notion of complementary channel, which we use to establish a generalized complementarity theorem between private and correctable subalgebras that applies to both the finite and infinite-dimensional settings. Linear bosonic channels are considered and specific examples of Gaussian quantum channels are given to illustrate the new framework together with the complementarity theorem.

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering.

PubMed

Giangreco, Ilenia; Nicolotti, Orazio; Carotti, Angelo; De Carlo, Francesco; Gargano, Gianfranco; Bellotti, Roberto

2010-10-08

Matrix metalloproteinases (MMPs) are well-known biological targets implicated in tumour progression, homeostatic regulation, innate immunity, impaired delivery of pro-apoptotic ligands, and the release and cleavage of cell-surface receptors. With this in mind, the perception of the intimate relationships among diverse MMPs could be a solid basis for accelerated learning in designing new selective MMP inhibitors. In this regard, decrypting the latent molecular reasons in order to elucidate similarity among MMPs is a key challenge. We describe a pairwise variant of the non-parametric chaotic map clustering (CMC) algorithm and its application to 104 X-ray MMP structures. In this analysis electrostatic potentials are computed and used as input for the CMC algorithm. It was shown that differences between proteins reflect genuine variation of their electrostatic potentials. In addition, the analysis has been also extended to analyze the protein primary structures and the molecular shapes of the MMP co-crystallised ligands. The CMC algorithm was shown to be a valuable tool in knowledge acquisition and transfer from MMP structures. Based on the variation of electrostatic potentials, CMC was successful in analysing the MMP target family landscape and different subsites. The first investigation resulted in rational figure interpretation of both domain organization as well as of substrate specificity classifications. The second made it possible to distinguish the MMP classes, demonstrating the high specificity of the S1' pocket, to detect both the occurrence of punctual mutations of ionisable residues and different side-chain conformations that likely account for induced-fit phenomena. In addition, CMC demonstrated a potential comparable to the most popular UPGMA (Unweighted Pair Group Method with Arithmetic mean) method that, at present, represents a standard clustering bioinformatics approach. Interestingly, CMC and UPGMA resulted in closely comparable outcomes, but often CMC produced more informative and more easy interpretable dendrograms. Finally, CMC was successful for standard pairwise analysis (i.e., Smith-Waterman algorithm) of protein sequences and was used to convincingly explain the complementarity existing between the molecular shapes of the co-crystallised ligand molecules and the accessible MMP void volumes.

Electrostatic Precipitation in Nearly Pure Gaseous Nitrogen

NASA Technical Reports Server (NTRS)

Buhler, Charles; Calle, Carlos; Clements, Sid; Cox, Bobby; Ritz, Mindy

2008-01-01

Electrostatic precipitation was performed in a nearly pure gaseous nitrogen system as a possible remedy for black dust contaminant from high pressure 6000 psi lines at the NASA Kennedy Space Center. The results of a prototype electrostatic precipitator that was built and tested using nitrogen gas at standard atmospheric pressures is presented. High voltage pulsed waveforms are generated using a rotating spark gap system at 30 Hz. A unique dust delivery system utilizing the Venturi effect was devised that supplies a given amount of dust per unit time for testing purposes.

COMPARATIVE U.S./USSR TESTS OF A HOT-SIDE ELECTROSTATIC PRECIPITATOR

EPA Science Inventory

The report describes a U.S./USSR cooperative test program to quantify and characterize particulate emissions from a U.S. coal-burning power plant boiler, equipped with a hot-side electrostatic precipitator, at Duke Power Co.'s Allen Steam Station in March 1976. U.S. and Soviet eq...

Generalized uncertainty principle: implications for black hole complementarity

NASA Astrophysics Data System (ADS)

Chen, Pisin; Ong, Yen Chin; Yeom, Dong-han

2014-12-01

At the heart of the black hole information loss paradox and the firewall controversy lies the conflict between quantum mechanics and general relativity. Much has been said about quantum corrections to general relativity, but much less in the opposite direction. It is therefore crucial to examine possible corrections to quantum mechanics due to gravity. Indeed, the Heisenberg Uncertainty Principle is one profound feature of quantum mechanics, which nevertheless may receive correction when gravitational effects become important. Such generalized uncertainty principle [GUP] has been motivated from not only quite general considerations of quantum mechanics and gravity, but also string theoretic arguments. We examine the role of GUP in the context of black hole complementarity. We find that while complementarity can be violated by large N rescaling if one assumes only the Heisenberg's Uncertainty Principle, the application of GUP may save complementarity, but only if certain N -dependence is also assumed. This raises two important questions beyond the scope of this work, i.e., whether GUP really has the proposed form of N -dependence, and whether black hole complementarity is indeed correct.

Diminish electrostatic in piezoresponse force microscopy through longer or ultra-stiff tips

NASA Astrophysics Data System (ADS)

Gomez, A.; Puig, T.; Obradors, X.

2018-05-01

Piezoresponse Force Microscopy is a powerful but delicate nanoscale technique that measures the electromechanical response resulting from the application of a highly localized electric field. Though mechanical response is normally due to piezoelectricity, other physical phenomena, especially electrostatic interaction, can contribute to the signal read. We address this problematic through the use of longer ultra-stiff probes providing state of the art sensitivity, with the lowest electrostatic interaction and avoiding working in high frequency regime. In order to find this solution we develop a theoretical description addressing the effects of electrostatic contributions in the total cantilever vibration and its quantification for different setups. The theory is subsequently tested in a Periodically Poled Lithium Niobate (PPLN) crystal, a sample with well-defined 0° and 180° domains, using different commercial available conductive tips. We employ the theoretical description to compare the electrostatic contribution effects into the total phase recorded. Through experimental data our description is corroborated for each of the tested commercially available probes. We propose that a larger probe length can be a solution to avoid electrostatic forces, so the cantilever-sample electrostatic interaction is reduced. Our proposed solution has great implications into avoiding artifacts while studying soft biological samples, multiferroic oxides, and thin film ferroelectric materials.

Understanding Insulin Endocrinology in Decapod Crustacea: Molecular Modelling Characterization of an Insulin-Binding Protein and Insulin-Like Peptides in the Eastern Spiny Lobster, Sagmariasus verreauxi.

PubMed

Chandler, Jennifer C; Gandhi, Neha S; Mancera, Ricardo L; Smith, Greg; Elizur, Abigail; Ventura, Tomer

2017-08-23

The insulin signalling system is one of the most conserved endocrine systems of Animalia from mollusc to man. In decapod Crustacea , such as the Eastern spiny lobster, Sagmariasus verreauxi (Sv) and the red-claw crayfish, Cherax quadricarinatus (Cq), insulin endocrinology governs male sexual differentiation through the action of a male-specific, insulin-like androgenic gland peptide (IAG). To understand the bioactivity of IAG it is necessary to consider its bio-regulators such as the insulin-like growth factor binding protein (IGFBP). This work has employed various molecular modelling approaches to represent S. verreauxi IGFBP and IAG, along with additional Sv-ILP ligands, in order to characterise their binding interactions. Firstly, we present Sv- and Cq-ILP2: neuroendocrine factors that share closest homology with Drosophila ILP8 (Dilp8). We then describe the binding interaction of the N-terminal domain of Sv-IGFBP and each ILP through a synergy of computational analyses. In-depth interaction mapping and computational alanine scanning of IGFBP_N' highlight the conserved involvement of the hotspot residues Q 67 , G 70 , D 71 , S 72 , G 91 , G 92 , T 93 and D 94 . The significance of the negatively charged residues D 71 and D 94 was then further exemplified by structural electrostatics. The functional importance of the negative surface charge of IGFBP is exemplified in the complementary electropositive charge on the reciprocal binding interface of all three ILP ligands. When examined, this electrostatic complementarity is the inverse of vertebrate homologues; such physicochemical divergences elucidate towards ligand-binding specificity between Phyla.

Experimentally biased model structure of the Hsc70/auxilin complex: Substrate transfer and interdomain structural change

PubMed Central

Gruschus, James M.; Greene, Lois E.; Eisenberg, Evan; Ferretti, James A.

2004-01-01

A model structure of the Hsc70/auxilin complex has been constructed to gain insight into interprotein substrate transfer and ATP hydrolysis induced conformational changes in the multidomain Hsc70 structure. The Hsc70/auxilin system, which is a member of the Hsp70/Hsp40 chaperone system family, uncoats clathrin-coated vesicles in an ATP hydrolysis-driven process. Incorporating previous results from NMR and mutant binding studies, the auxilin J-domain was docked into the Hsc70 ATPase domain lower cleft using rigid backbone/flexible side chain molecular dynamics, and the Hsc70 substrate binding domain was docked by a similar procedure. For comparison, J-domain and substrate binding domain docking sites were obtained by the rigid-body docking programs DOT and ZDOCK, filtered and ranked by the program ClusPro, and relaxed using the same rigid backbone/flexible side chain dynamics. The substrate binding domain sites were assessed in terms of conserved surface complementarity and feasibility in the context of substrate transfer, both for auxilin and another Hsp40 protein, Hsc20. This assessment favors placement of the substrate binding domain near D152 on the ATPase domain surface adjacent to the J-domain invariant HPD segment, with the Hsc70 interdomain linker in the lower cleft. Examining Hsc70 interdomain energetics, we propose that long-range electrostatic interactions, perhaps due to a difference in the pKa values of bound ATP and ADP, could play a major role in the structural change induced by ATP hydrolysis. Interdomain electrostatic interactions also appear to play a role in stimulation of ATPase activity due to J-domain binding and substrate binding by Hsc70. PMID:15273304

T-Cell Receptors Binding Orientation over Peptide/MHC Class I Is Driven by Long-Range Interactions

PubMed Central

Ferber, Mathias; Zoete, Vincent; Michielin, Olivier

2012-01-01

Crystallographic data about T-Cell Receptor – peptide – major histocompatibility complex class I (TCRpMHC) interaction have revealed extremely diverse TCR binding modes triggering antigen recognition. Understanding the molecular basis that governs TCR orientation over pMHC is still a considerable challenge. We present a simplified rigid approach applied on all non-redundant TCRpMHC crystal structures available. The CHARMM force field in combination with the FACTS implicit solvation model is used to study the role of long-distance interactions between the TCR and pMHC. We demonstrate that the sum of the coulomb interactions and the electrostatic solvation energies is sufficient to identify two orientations corresponding to energetic minima at 0° and 180° from the native orientation. Interestingly, these results are shown to be robust upon small structural variations of the TCR such as changes induced by Molecular Dynamics simulations, suggesting that shape complementarity is not required to obtain a reliable signal. Accurate energy minima are also identified by confronting unbound TCR crystal structures to pMHC. Furthermore, we decompose the electrostatic energy into residue contributions to estimate their role in the overall orientation. Results show that most of the driving force leading to the formation of the complex is defined by CDR1,2/MHC interactions. This long-distance contribution appears to be independent from the binding process itself, since it is reliably identified without considering neither short-range energy terms nor CDR induced fit upon binding. Ultimately, we present an attempt to predict the TCR/pMHC binding mode for a TCR structure obtained by homology modeling. The simplicity of the approach and the absence of any fitted parameters make it also easily applicable to other types of macromolecular protein complexes. PMID:23251658

Modeling Biophysical and Biological Properties From the Characteristics of the Molecular Electron Density, Electron Localization and Delocalization Matrices, and the Electrostatic Potential

PubMed Central

Matta*, Chérif F

2014-01-01

The electron density and the electrostatic potential are fundamentally related to the molecular hamiltonian, and hence are the ultimate source of all properties in the ground- and excited-states. The advantages of using molecular descriptors derived from these fundamental scalar fields, both accessible from theory and from experiment, in the formulation of quantitative structure-to-activity and structure-to-property relationships, collectively abbreviated as QSAR, are discussed. A few such descriptors encode for a wide variety of properties including, for example, electronic transition energies, pKa's, rates of ester hydrolysis, NMR chemical shifts, DNA dimers binding energies, π-stacking energies, toxicological indices, cytotoxicities, hepatotoxicities, carcinogenicities, partial molar volumes, partition coefficients (log P), hydrogen bond donor capacities, enzyme–substrate complementarities, bioisosterism, and regularities in the genetic code. Electronic fingerprinting from the topological analysis of the electron density is shown to be comparable and possibly superior to Hammett constants and can be used in conjunction with traditional bulk and liposolubility descriptors to accurately predict biological activities. A new class of descriptors obtained from the quantum theory of atoms in molecules' (QTAIM) localization and delocalization indices and bond properties, cast in matrix format, is shown to quantify transferability and molecular similarity meaningfully. Properties such as “interacting quantum atoms (IQA)” energies which are expressible into an interaction matrix of two body terms (and diagonal one body “self” terms, as IQA energies) can be used in the same manner. The proposed QSAR-type studies based on similarity distances derived from such matrix representatives of molecular structure necessitate extensive investigation before their utility is unequivocally established. © 2014 The Author and the Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:24777743

T-cell receptors binding orientation over peptide/MHC class I is driven by long-range interactions.

PubMed

Ferber, Mathias; Zoete, Vincent; Michielin, Olivier

2012-01-01

Crystallographic data about T-Cell Receptor - peptide - major histocompatibility complex class I (TCRpMHC) interaction have revealed extremely diverse TCR binding modes triggering antigen recognition. Understanding the molecular basis that governs TCR orientation over pMHC is still a considerable challenge. We present a simplified rigid approach applied on all non-redundant TCRpMHC crystal structures available. The CHARMM force field in combination with the FACTS implicit solvation model is used to study the role of long-distance interactions between the TCR and pMHC. We demonstrate that the sum of the coulomb interactions and the electrostatic solvation energies is sufficient to identify two orientations corresponding to energetic minima at 0° and 180° from the native orientation. Interestingly, these results are shown to be robust upon small structural variations of the TCR such as changes induced by Molecular Dynamics simulations, suggesting that shape complementarity is not required to obtain a reliable signal. Accurate energy minima are also identified by confronting unbound TCR crystal structures to pMHC. Furthermore, we decompose the electrostatic energy into residue contributions to estimate their role in the overall orientation. Results show that most of the driving force leading to the formation of the complex is defined by CDR1,2/MHC interactions. This long-distance contribution appears to be independent from the binding process itself, since it is reliably identified without considering neither short-range energy terms nor CDR induced fit upon binding. Ultimately, we present an attempt to predict the TCR/pMHC binding mode for a TCR structure obtained by homology modeling. The simplicity of the approach and the absence of any fitted parameters make it also easily applicable to other types of macromolecular protein complexes.

Presence of Trifolium repens Promotes Complementarity of Water Use and N Facilitation in Diverse Grass Mixtures.

PubMed

Hernandez, Pauline; Picon-Cochard, Catherine

2016-01-01

Legume species promote productivity and increase the digestibility of herbage in grasslands. Considerable experimental data also indicate that communities with legumes produce more above-ground biomass than is expected from monocultures. While it has been attributed to N facilitation, evidence to identify the mechanisms involved is still lacking and the role of complementarity in soil water acquisition by vertical root differentiation remains unclear. We used a 20-months mesocosm experiment to investigate the effects of species richness (single species, two- and five-species mixtures) and functional diversity (presence of the legume Trifolium repens) on a set of traits related to light, N and water use and measured at community level. We found a positive effect of Trifolium presence and abundance on biomass production and complementarity effects in the two-species mixtures from the second year. In addition the community traits related to water and N acquisition and use (leaf area, N, water-use efficiency, and deep root growth) were higher in the presence of Trifolium. With a multiple regression approach, we showed that the traits related to water acquisition and use were with N the main determinants of biomass production and complementarity effects in diverse mixtures. At shallow soil layers, lower root mass of Trifolium and higher soil moisture should increase soil water availability for the associated grass species. Conversely at deep soil layer, higher root growth and lower soil moisture mirror soil resource use increase of mixtures. Altogether, these results highlight N facilitation but almost soil vertical differentiation and thus complementarity for water acquisition and use in mixtures with Trifolium. Contrary to grass-Trifolium mixtures, no significant over-yielding was measured for grass mixtures even those having complementary traits (short and shallow vs. tall and deep). Thus, vertical complementarity for soil resources uptake in mixtures was not only dependant on the inherent root system architecture but also on root plasticity. We also observed a time-dependence for positive complementarity effects due to the slow development of Trifolium in mixtures, possibly induced by competition with grasses. Overall, our data underlined that soil water resource was an important driver of over-yielding and complementarity effects in Trifolium-grass mixtures.

Preliminary tests of the electrostatic plasma accelerator

NASA Technical Reports Server (NTRS)

Aston, G.; Acker, T.

1990-01-01

This report describes the results of a program to verify an electrostatic plasma acceleration concept and to identify those parameters most important in optimizing an Electrostatic Plasma Accelerator (EPA) thruster based upon this thrust mechanism. Preliminary performance measurements of thrust, specific impulse and efficiency were obtained using a unique plasma exhaust momentum probe. Reliable EPA thruster operation was achieved using one power supply.

Pyrotechnic hazards classification and evaluation program. Electrostatic vulnerability of the E8 and XM15/XM165 clusters, phase 1

NASA Technical Reports Server (NTRS)

1970-01-01

A survey of the electrostatic vulnerability of explosive manufacturing plants and recommendations for reducing the vulnerability are discussed. During the course of the investigations, the XM15/XM165 and the E8 launcher were shown to be susceptible to electrostatic ignition. The pyrotechnic hazard of prime concern associated with electrostatics is that of the spark which can be generated. The heat, shock, and ionization produced by the spark can cause ignition of pyrotechnics. However, as a result of the initial ignition tests (XM15 fuse train), changes have been incorporated to make the fusing system relatively safe from premature electrostatic activation.

Electrostatic discharge control for STDN stations

NASA Technical Reports Server (NTRS)

Mckiernan, J.

1983-01-01

This manual defines the requirements and control methods necessary to control the effect of electrostatic discharges that damage or destroy electronic equipment components. Test procedures for measuring the effectiveness of the control are included.

Model of early self-replication based on covalent complementarity for a copolymer of glycerate-3-phosphate and glycerol-3-phosphate

NASA Technical Reports Server (NTRS)

Weber, Arthur L.

1989-01-01

Glyceraldehyde-3-phosphate acts as the substrate in a model of early self-replication of a phosphodiester copolymer of glycerate-3-phosphate and glycerol-3-phosphate. This model of self-replication is based on covalent complementarity in which information transfer is mediated by a single covalent bond, in contrast to multiple weak interactions that establish complementarity in nucleic acid replication. This replication model is connected to contemporary biochemistry through its use of glyceraldehyde-3-phosphate, a central metabolite of glycolysis and photosynthesis.

Non-inertial calibration of vibratory gyroscopes

NASA Technical Reports Server (NTRS)

Gutierrez, Roman C. (Inventor); Tang, Tony K. (Inventor)

2003-01-01

The electrostatic elements already present in a vibratory gyroscope are used to simulate the Coriolis forces. An artificial electrostatic rotation signal is added to the closed-loop force rebalance system. Because the Coriolis force is at the same frequency as the artificial electrostatic force, the simulated force may be introduced into the system to perform an inertial test on MEMS vibratory gyroscopes without the use of a rotation table.

Electrostatic discharge test apparatus

NASA Technical Reports Server (NTRS)

Smith, William Conrad (Inventor)

1988-01-01

Electrostatic discharge properties of materials are quantitatively measured and ranked. Samples are rotated on a turntable beneath selectable, co-available electrostatic chargers, one being a corona charging element and the other a sample-engaging triboelectric charging element. Samples then pass under a voltage meter to measure the amount of residual charge on the samples. After charging is discontinued, measurements are continued to record the charge decay history over time.

Phytoplankton Assemblage Characteristics in Recurrently Fluctuating Environments

PubMed Central

Roelke, Daniel L.; Spatharis, Sofie

2015-01-01

Annual variations in biogeochemical and physical processes can lead to nutrient variability and seasonal patterns in phytoplankton productivity and assemblage structure. In many coastal systems river inflow and water exchange with the ocean varies seasonally, and alternating periods can arise where the nutrient most limiting to phytoplankton growth switches. Transitions between these alternating periods can be sudden or gradual and this depends on human activities, such as reservoir construction and interbasin water transfers. How such activities might influence phytoplankton assemblages is largely unknown. Here, we employed a multispecies, multi-nutrient model to explore how nutrient loading switching mode might affect characteristics of phytoplankton assemblages. The model is based on the Monod-relationship, predicting an instantaneous growth rate from ambient inorganic nutrient concentrations whereas the limiting nutrient at any given time was determined by Liebig’s Law of the Minimum. Our simulated phytoplankton assemblages self-organized from species rich pools over a 15-year period, and only the surviving species were considered as assemblage members. Using the model, we explored the interactive effects of complementarity level in trait trade-offs within phytoplankton assemblages and the amount of noise in the resource supply concentrations. We found that the effect of shift from a sudden resource supply transition to a gradual one, as observed in systems impacted by watershed development, was dependent on the level of complementarity. In the extremes, phytoplankton species richness and relative overyielding increased when complementarity was lowest, and phytoplankton biomass increased greatly when complementarity was highest. For low-complementarity simulations, the persistence of poorer-performing phytoplankton species of intermediate R*s led to higher richness and relative overyielding. For high-complementarity simulations, the formation of phytoplankton species clusters and niche compression enabled higher biomass accumulation. Our findings suggest that an understanding of factors influencing the emergence of life history traits important to complementarity is necessary to predict the impact of watershed development on phytoplankton productivity and assemblage structure. PMID:25799563

Black hole complementarity with the generalized uncertainty principle in Gravity's Rainbow

NASA Astrophysics Data System (ADS)

Gim, Yongwan; Um, Hwajin; Kim, Wontae

2018-02-01

When gravitation is combined with quantum theory, the Heisenberg uncertainty principle could be extended to the generalized uncertainty principle accompanying a minimal length. To see how the generalized uncertainty principle works in the context of black hole complementarity, we calculate the required energy to duplicate information for the Schwarzschild black hole. It shows that the duplication of information is not allowed and black hole complementarity is still valid even assuming the generalized uncertainty principle. On the other hand, the generalized uncertainty principle with the minimal length could lead to a modification of the conventional dispersion relation in light of Gravity's Rainbow, where the minimal length is also invariant as well as the speed of light. Revisiting the gedanken experiment, we show that the no-cloning theorem for black hole complementarity can be made valid in the regime of Gravity's Rainbow on a certain combination of parameters.

Operation of electrothermal and electrostatic MUMPs microactuators underwater

NASA Astrophysics Data System (ADS)

Sameoto, Dan; Hubbard, Ted; Kujath, Marek

2004-10-01

Surface-micromachined actuators made in multi-user MEMS processes (MUMPs) have been operated underwater without modifying the manufacturing process. Such actuators have generally been either electro-thermally or electro-statically actuated and both actuator styles are tested here for suitability underwater. This is believed to be the first time that thermal and electrostatic actuators have been compared for deflection underwater relative to air performance. A high-frequency ac square wave is used to replicate a dc-driven actuator output without the associated problem of electrolysis in water. This method of ac activation, with frequencies far above the mechanical resonance frequencies of the MEMS actuators, has been termed root mean square (RMS) operation. Both thermal and electrostatic actuators have been tested and proved to work using RMS control. Underwater performance has been evaluated by using in-air operation of these actuators as a benchmark. When comparing deflection per volt applied, thermal actuators operate between 5 and 9% of in-air deflection and electrostatic actuators show an improvement in force per volt applied of upwards of 6000%. These results agree with predictions based on the physical properties of the surrounding medium.

Animation of Heliopause Electrostatic Rapid Transport System (HERTS)

NASA Image and Video Library

2016-04-20

Animation of Heliopause Electrostatic Rapid Transport System (HERTS) concept. NASA engineers are conducting tests to develop models for the Heliopause Electrostatic Rapid Transport System. HERTS builds upon the electric sail invention of Dr. Pekka Janhunen of the Finnish Meteorological Institute. An electric sail could potentially send scientific payloads to the edge of our solar system, the heliopause, in less than 10 years. The research is led by Bruce M. Wiegmann, an engineer in the Advanced Concepts Office at NASA's Marshall Space Flight Center. The HERTS E-Sail development and testing is funded by NASA’s Space Technology Mission Directorate through the NASA Innovative Advanced Concepts Program.

Electrostatic Studies for the 2008 Hubble Service Repair Mission

NASA Technical Reports Server (NTRS)

Buhler, C. R.; Clements, J. S.; Calle, C. I.

2012-01-01

High vacuum triboelectric testing of space materials was required to identify possible Electrostatic Discharge (ESD) concerns for the astronauts in space during electronics board replacement on the Hubble Space Telescope. Testing under high vacuum conditions with common materials resulted in some interesting results. Many materials were able to charge to high levels which did not dissipate quickly even when grounded. Certain materials were able to charge up in contact with grounded metals while others were not. An interesting result was that like materials did not exchange electrostatic charge under high vacuum conditions. The most surprising experimental result is the lack of brush discharges from charged insulators under high vacuum conditions.

Education Policy, Globalization, Commercialization: An Interview with Bob Lingard by David Hursh

ERIC Educational Resources Information Center

Hursh, David

2017-01-01

In this interview with David Hursh, Bob Lingard comments on his current and/or recently completed research projects in respect to new modes of global governance in schooling and the complementarity between international large scale assessments and national testing. He also looks at a project that, in conjunction with school leaders, teachers,…

Electrostatic testing of thin plastic materials

NASA Technical Reports Server (NTRS)

Skinner, S. Ballou

1988-01-01

Ten thin plastic materials (Velostat, RCAS 1200, Llumalloy, Herculite 80, RCAS 2400, Wrightlon 7000, PVC, Aclar 22A, Mylar, and Polyethylene) were tested for electrostatic properties by four different devices: (1) The static decay meter, (2) the manual triboelectric testing device, (3) the robotic triboelectric testing device, and (4) the resistivity measurement adapter device. The static decay meter measured the electrostatic decay rates in accordance with the Federal Test Method Standard 101B, Method 4046. The manual and the robotic triboelectric devices measured the triboelectric generated peak voltages and the five-second decay voltages in accordance with the criteria for acceptance standards at Kennedy Space Center. The resistivity measurement adapter measured the surface resistivity of each material. An analysis was made to correlate the data among the four testing devices. For the material tested the pass/fail results were compared for the 4046 method and the triboelectric testing devices. For the limited number of materials tested, the relationship between decay rate and surface resistivity was investigated as well as the relationship between triboelectric peak voltage and surface resistivity.

Electrostatic shielding of transformers

DOEpatents

De Leon, Francisco

2017-11-28

Toroidal transformers are currently used only in low-voltage applications. There is no published experience for toroidal transformer design at distribution-level voltages. Toroidal transformers are provided with electrostatic shielding to make possible high voltage applications and withstand the impulse test.

Complementarity and Compensation: Bridging the Gap between Writing and Design.

ERIC Educational Resources Information Center

Killingsworth, M. Jimmie; Sanders, Scott P.

1990-01-01

Outlines two rhetorical principles for producing iconic-mosaic texts--the principle of complementarity and the principle of compensation. Shows how these principles can be applied to practical problems in coordinating the writing and design processes in student projects. (RS)

Educational Finance Policy: A Search for Complementarities.

ERIC Educational Resources Information Center

Geske, Terry G.

1983-01-01

An overview of recent state level policy developments and policy analysis research as related to equity and efficiency objectives in public school finance is presented. Emphasis is placed on identifying complementarities, rather than the tradeoffs, between equity and efficiency criteria. (Author/LC)

The establishment and application of direct coupled electrostatic-structural field model in electrostatically controlled deployable membrane antenna

NASA Astrophysics Data System (ADS)

Gu, Yongzhen; Duan, Baoyan; Du, Jingli

2018-05-01

The electrostatically controlled deployable membrane antenna (ECDMA) is a promising space structure due to its low weight, large aperture and high precision characteristics. However, it is an extreme challenge to describe the coupled field between electrostatic and membrane structure accurately. A direct coupled method is applied to solve the coupled problem in this paper. Firstly, the membrane structure and electrostatic field are uniformly described by energy, considering the coupled problem is an energy conservation phenomenon. Then the direct coupled electrostatic-structural field governing equilibrium equations are obtained by energy variation approach. Numerical results show that the direct coupled method improves the computing efficiency by 36% compared with the traditional indirect coupled method with the same level accuracy. Finally, the prototype has been manufactured and tested and the ECDMA finite element simulations show good agreement with the experiment results as the maximum surface error difference is 6%.

Is the firewall consistent? Gedanken experiments on black hole complementarity and firewall proposal

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

Hwang, Dong-il; Lee, Bum-Hoon; Yeom, Dong-han, E-mail: dongil.j.hwang@gmail.com, E-mail: bhl@sogang.ac.kr, E-mail: innocent.yeom@gmail.com

2013-01-01

In this paper, we discuss the black hole complementarity and the firewall proposal at length. Black hole complementarity is inevitable if we assume the following five things: unitarity, entropy-area formula, existence of an information observer, semi-classical quantum field theory for an asymptotic observer, and the general relativity for an in-falling observer. However, large N rescaling and the AMPS argument show that black hole complementarity is inconsistent. To salvage the basic philosophy of the black hole complementarity, AMPS introduced a firewall around the horizon. According to large N rescaling, the firewall should be located close to the apparent horizon. We investigatemore » the consistency of the firewall with the two critical conditions: the firewall should be near the time-like apparent horizon and it should not affect the future infinity. Concerning this, we have introduced a gravitational collapse with a false vacuum lump which can generate a spacetime structure with disconnected apparent horizons. This reveals a situation that there is a firewall outside of the event horizon, while the apparent horizon is absent. Therefore, the firewall, if it exists, not only does modify the general relativity for an in-falling observer, but also modify the semi-classical quantum field theory for an asymptotic observer.« less

Is the firewall consistent? Gedanken experiments on black hole complementarity and firewall proposal

NASA Astrophysics Data System (ADS)

Hwang, Dong-il; Lee, Bum-Hoon; Yeom, Dong-han

2013-01-01

In this paper, we discuss the black hole complementarity and the firewall proposal at length. Black hole complementarity is inevitable if we assume the following five things: unitarity, entropy-area formula, existence of an information observer, semi-classical quantum field theory for an asymptotic observer, and the general relativity for an in-falling observer. However, large N rescaling and the AMPS argument show that black hole complementarity is inconsistent. To salvage the basic philosophy of the black hole complementarity, AMPS introduced a firewall around the horizon. According to large N rescaling, the firewall should be located close to the apparent horizon. We investigate the consistency of the firewall with the two critical conditions: the firewall should be near the time-like apparent horizon and it should not affect the future infinity. Concerning this, we have introduced a gravitational collapse with a false vacuum lump which can generate a spacetime structure with disconnected apparent horizons. This reveals a situation that there is a firewall outside of the event horizon, while the apparent horizon is absent. Therefore, the firewall, if it exists, not only does modify the general relativity for an in-falling observer, but also modify the semi-classical quantum field theory for an asymptotic observer.

Intron self-complementarity enforces exon inclusion in a yeast pre-mRNA

PubMed Central

Howe, Kenneth James; Ares, Manuel

1997-01-01

Skipping of internal exons during removal of introns from pre-mRNA must be avoided for proper expression of most eukaryotic genes. Despite significant understanding of the mechanics of intron removal, mechanisms that ensure inclusion of internal exons in multi-intron pre-mRNAs remain mysterious. Using a natural two-intron yeast gene, we have identified distinct RNA–RNA complementarities within each intron that prevent exon skipping and ensure inclusion of internal exons. We show that these complementarities are positioned to act as intron identity elements, bringing together only the appropriate 5′ splice sites and branchpoints. Destroying either intron self-complementarity allows exon skipping to occur, and restoring the complementarity using compensatory mutations rescues exon inclusion, indicating that the elements act through formation of RNA secondary structure. Introducing new pairing potential between regions near the 5′ splice site of intron 1 and the branchpoint of intron 2 dramatically enhances exon skipping. Similar elements identified in single intron yeast genes contribute to splicing efficiency. Our results illustrate how intron secondary structure serves to coordinate splice site pairing and enforce exon inclusion. We suggest that similar elements in vertebrate genes could assist in the splicing of very large introns and in the evolution of alternative splicing. PMID:9356473

Above- and below-ground effects of plant diversity depend on species origin: an experimental test with multiple invaders.

PubMed

Kuebbing, Sara E; Classen, Aimée T; Sanders, Nathan J; Simberloff, Daniel

2015-11-01

Although many plant communities are invaded by multiple nonnative species, we have limited information on how a species' origin affects ecosystem function. We tested how differences in species richness and origin affect productivity and seedling establishment. We created phylogenetically paired native and nonnative plant communities in a glasshouse experiment to test diversity-productivity relationships and responsible mechanisms (i.e. selection or complementarity effects). Additionally, we tested how productivity and associated mechanisms influenced seedling establishment. We used diversity-interaction models to describe how species' interactions influenced diversity-productivity relationships. Communities with more species had higher total biomass than did monoculture communities, but native and nonnative communities diverged in root : shoot ratios and the mechanism responsible for increased productivity: positive selection effect in nonnative communities and positive complementarity effect in native communities. Seedling establishment was 46% lower in nonnative than in native communities and was correlated with the average selection effect. Interspecific interactions contributed to productivity patterns, but the specific types of interactions differed between native and nonnative communities. These results reinforce findings that the diversity-productivity mechanisms in native and nonnative communities differ and are the first to show that these mechanisms can influence seedling establishment and that different types of interactions influence diversity-productivity relationships. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

Helical assembly in the MyD88-IRAK4-IRAK2 complex in TLR/IL-1R signalling

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

Lin, Su-Chang; Lo, Yu-Chih; Wu, Hao

2010-08-23

MyD88, IRAK4 and IRAK2 are critical signalling mediators of the TLR/IL1-R superfamily. Here we report the crystal structure of the MyD88-IRAK4-IRAK2 death domain (DD) complex, which surprisingly reveals a left-handed helical oligomer that consists of 6 MyD88, 4 IRAK4 and 4 IRAK2 DDs. Assembly of this helical signalling tower is hierarchical, in which MyD88 recruits IRAK4 and the MyD88-IRAK4 complex recruits the IRAK4 substrates IRAK2 or the related IRAK1. Formation of these Myddosome complexes brings the kinase domains of IRAKs into proximity for phosphorylation and activation. Composite binding sites are required for recruitment of the individual DDs in the complex,more » which are confirmed by mutagenesis and previously identified signalling mutations. Specificities in Myddosome formation are dictated by both molecular complementarity and correspondence of surface electrostatics. The MyD88-IRAK4-IRAK2 complex provides a template for Toll signalling in Drosophila and an elegant mechanism for versatile assembly and regulation of DD complexes in signal transduction.« less

Electrostatic discharge test apparatus

NASA Technical Reports Server (NTRS)

Smith, William C. (Inventor)

1989-01-01

Electrostatic discharge properties of materials are quantitatively measured and ranked. Samples (20) are rotated on a turntable (15) beneath selectable, co-available electrostatic chargers (30/40), one being a corona charging element (30) and the other a sample-engaging triboelectric charging element (40). They then pass under a voltage meter (25) to measure the amount of residual charge on the samples (20). After charging is discontinued, measurements are continued to record the charge decay history over time.

Ground Based Investigation of Electrostatic Accelerometer in HUST

NASA Astrophysics Data System (ADS)

Bai, Y.; Zhou, Z.

2013-12-01

High-precision electrostatic accelerometers with six degrees of freedom (DOF) acceleration measurement were successfully used in CHAMP, GRACE and GOCE missions which to measure the Earth's gravity field. In our group, space inertial sensor based on the capacitance transducer and electrostatic control technique has been investigated for test of equivalence principle (TEPO), searching non-Newtonian force in micrometer range, and satellite Earth's field recovery. The significant techniques of capacitive position sensor with the noise level at 2×10-7pF/Hz1/2 and the μV/Hz1/2 level electrostatic actuator are carried out and all the six servo loop controls by using a discrete PID algorithm are realized in a FPGA device. For testing on ground, in order to compensate one g earth's gravity, the fiber torsion pendulum facility is adopt to measure the parameters of the electrostatic controlled inertial sensor such as the resolution, and the electrostatic stiffness, the cross couple between different DOFs. A short distance and a simple double capsule equipment the valid duration about 0.5 second is set up in our lab for the free fall tests of the engineering model which can directly verify the function of six DOF control. Meanwhile, high voltage suspension method is also realized and preliminary results show that the horizontal axis of acceleration noise is about 10-8m/s2/Hz1/2 level which limited mainly by the seismic noise. Reference: [1] Fen Gao, Ze-Bing Zhou, Jun Luo, Feasibility for Testing the Equivalence Principle with Optical Readout in Space, Chin. Phys. Lett. 28(8) (2011) 080401. [2] Z. Zhu, Z. B. Zhou, L. Cai, Y. Z. Bai, J. Luo, Electrostatic gravity gradiometer design for the advanced GOCE mission, Adv. Sp. Res. 51 (2013) 2269-2276. [3] Z B Zhou, L Liu, H B Tu, Y Z Bai, J Luo, Seismic noise limit for ground-based performance measurements of an inertial sensor using a torsion balance, Class. Quantum Grav. 27 (2010) 175012. [4] H B Tu, Y Z Bai, Z B Zhou, L Liu, L Cai, and J Luo, Performance measurements of an inertial sensor with a two-stage controlled torsion pendulum, Class Quantum. Grav. 27 (2010) 205016.

Collection of biological and non-biological particles by new and used filters made from glass and electrostatically charged synthetic fibers.

PubMed

Raynor, P C; Kim, B G; Ramachandran, G; Strommen, M R; Horns, J H; Streifel, A J

2008-02-01

Synthetic filters made from fibers carrying electrostatic charges and fiberglass filters that do not carry electrostatic charges are both utilized commonly in heating, ventilating, and air-conditioning (HVAC) systems. The pressure drop and efficiency of a bank of fiberglass filters and a bank of electrostatically charged synthetic filters were measured repeatedly for 13 weeks in operating HVAC systems at a hospital. Additionally, the efficiency with which new and used fiberglass and synthetic filters collected culturable biological particles was measured in a test apparatus. Pressure drop measurements adjusted to equivalent flows indicated that the synthetic filters operated with a pressure drop less than half that of the fiberglass filters throughout the test. When measured using total ambient particles, synthetic filter efficiency decreased during the test period for all particle diameters. For particles 0.7-1.0 mum in diameter, efficiency decreased from 92% to 44%. It is hypothesized that this reduction in collection efficiency may be due to charge shielding. Efficiency did not change significantly for the fiberglass filters during the test period. However, when measured using culturable biological particles in the ambient air, efficiency was essentially the same for new filters and filters used for 13 weeks in the hospital for both the synthetic and fiberglass filters. It is hypothesized that the lack of efficiency reduction for culturable particles may be due to their having higher charge than non-biological particles, allowing them to overcome the effects of charge shielding. The type of particles requiring capture may be an important consideration when comparing the relative performance of electrostatically charged synthetic and fiberglass filters. Electrostatically charged synthetic filters with high initial efficiency can frequently replace traditional fiberglass filters with lower efficiency in HVAC systems because properly designed synthetic filters offer less resistance to air flow. Although the efficiency of charged synthetic filters at collecting non-biological particles declined substantially with use, the efficiency of these filters at collecting biological particles remained steady. These findings suggest that the merits of electrostatically charged synthetic HVAC filters relative to fiberglass filters may be more pronounced if collection of biological particles is of primary concern.

Electrostatic fuel conditioning of internal combustion engines

NASA Technical Reports Server (NTRS)

Gold, P. I.

1982-01-01

Diesel engines were tested to determine if they are influenced by the presence of electrostatic and magnetic fields. Field forces were applied in a variety of configurations including pretreatment of the fuel and air, however, no affect on engine performance was observed.

Functional traits explain ecosystem function through opposing mechanisms.

PubMed

Cadotte, Marc W

2017-08-01

The ability to explain why multispecies assemblages produce greater biomass compared to monocultures, has been a central goal in the quest to understand biodiversity effects on ecosystem function. Species contributions to ecosystem function can be driven by two processes: niche complementarity and a selection effect that is influenced by fitness (competitive) differences, and both can be approximated with measures of species' traits. It has been hypothesised that fitness differences are associated with few, singular traits while complementarity requires multidimensional trait measures. Here, using experimental data from plant assemblages, I show that the selection effect was strongest when trait dissimilarity was low, while complementarity was greatest with high trait dissimilarity. Selection effects were best explained by a single trait, plant height. Complementarity was correlated with dissimilarity across multiple traits, representing above and below ground processes. By identifying the relevant traits linked to ecosystem function, we obtain the ability to predict combinations of species that will maximise ecosystem function. © 2017 John Wiley & Sons Ltd/CNRS.

A single axis electrostatic beam deflection system for a 5-cm diameter ion thruster

NASA Technical Reports Server (NTRS)

Lathem, W. C.

1972-01-01

A single-axis electrostatic beam deflection system has been tested on a 5-cm diameter mercury ion thruster at a thrust level of about 0.43 mlb (25 mA beam current at 1400 volts). The accelerator voltage was 500 volts. Beam deflection capability of plus or minus 10 deg was demonstrated. A life test of 1367 hours was run at the above conditions. Results of the test indicated that the system could possibly perform for upwards of 10,000 hours.

A Technology-Enhanced Unit of Modeling Static Electricity: Integrating scientific explanations and everyday observations

NASA Astrophysics Data System (ADS)

Shen, Ji; Linn, Marcia C.

2011-08-01

What trajectories do students follow as they connect their observations of electrostatic phenomena to atomic-level visualizations? We designed an electrostatics unit, using the knowledge integration framework to help students link observations and scientific ideas. We analyze how learners integrate ideas about charges, charged particles, energy, and observable events. We compare learning enactments in a typical school and a magnet school in the USA. We use pre-tests, post-tests, embedded notes, and delayed post-tests to capture the trajectories of students' knowledge integration. We analyze how visualizations help students grapple with abstract electrostatics concepts such as induction. We find that overall students gain more sophisticated ideas. They can interpret dynamic, interactive visualizations, and connect charge- and particle-based explanations to interpret observable events. Students continue to have difficulty in applying the energy-based explanation.

Test progress on the electrostatic membrane reflector

NASA Technical Reports Server (NTRS)

Mihora, D. J.

1981-01-01

An extemely lightweight type of precision reflector antenna, being developed for potential deployment from the space shuttle, uses electrostatic forces to tension a thin membrane and form it into a concave reflector surface. The typical shuttle-deployed antenna would have a diameter of 100 meters and an RMS surface smoothness of 10 to 1 mm for operation at 1 to 10 GHz. NASA Langley Research Center built and is currently testing a subscale (16 foot diameter) model of the membrane reflector portion of such an antenna. Preliminary test results and principal factors affecting surface quality are addressed. Factors included are the effect of the perimeter boundary, splicing of the membrane, the long-scale smoothness of commercial membranes, and the spatial controllability of the membrane using voltage adjustments to alter the electrostatic pressure. Only readily available commercial membranes are considered.

Experimental investigation of halogen-bond hard-soft acid-base complementarity.

PubMed

Riel, Asia Marie S; Jessop, Morly J; Decato, Daniel A; Massena, Casey J; Nascimento, Vinicius R; Berryman, Orion B

2017-04-01

The halogen bond (XB) is a topical noncovalent interaction of rapidly increasing importance. The XB employs a `soft' donor atom in comparison to the `hard' proton of the hydrogen bond (HB). This difference has led to the hypothesis that XBs can form more favorable interactions with `soft' bases than HBs. While computational studies have supported this suggestion, solution and solid-state data are lacking. Here, XB soft-soft complementarity is investigated with a bidentate receptor that shows similar associations with neutral carbonyls and heavy chalcogen analogs. The solution speciation and XB soft-soft complementarity is supported by four crystal structures containing neutral and anionic soft Lewis bases.

DEVELOPMENT OF A HIGH-TEMPERATURE/HIGH-PRESSURE ELECTROSTATIC PRECIPITATOR

EPA Science Inventory

The report gives results of a laboratory test demonstrating the feasibility of electrostatic precipitation at high temperatures (to 1366 K) and pressures (to 3550 kPa): corona currents were stable at all temperatures. Detailed current/voltage characteristics under negative and po...

Climate change mitigation and adaptation in the land use sector: from complementarity to synergy.

PubMed

Duguma, Lalisa A; Minang, Peter A; van Noordwijk, Meine

2014-09-01

Currently, mitigation and adaptation measures are handled separately, due to differences in priorities for the measures and segregated planning and implementation policies at international and national levels. There is a growing argument that synergistic approaches to adaptation and mitigation could bring substantial benefits at multiple scales in the land use sector. Nonetheless, efforts to implement synergies between adaptation and mitigation measures are rare due to the weak conceptual framing of the approach and constraining policy issues. In this paper, we explore the attributes of synergy and the necessary enabling conditions and discuss, as an example, experience with the Ngitili system in Tanzania that serves both adaptation and mitigation functions. An in-depth look into the current practices suggests that more emphasis is laid on complementarity-i.e., mitigation projects providing adaptation co-benefits and vice versa rather than on synergy. Unlike complementarity, synergy should emphasize functionally sustainable landscape systems in which adaptation and mitigation are optimized as part of multiple functions. We argue that the current practice of seeking co-benefits (complementarity) is a necessary but insufficient step toward addressing synergy. Moving forward from complementarity will require a paradigm shift from current compartmentalization between mitigation and adaptation to systems thinking at landscape scale. However, enabling policy, institutional, and investment conditions need to be developed at global, national, and local levels to achieve synergistic goals.

Measuring Electrostatic Discharge

NASA Technical Reports Server (NTRS)

Smith, William C.

1987-01-01

Apparatus measures electrostatic-discharge properties of several materials at once. Allows samples charged either by friction or by exposure to corona. By testing several samples simultaneously, apparatus eliminates errors introduced by variations among test conditions. Samples spaced so they pass at intervals under either of two retractable arms. Samples are 2 inches wide along circular path. Arm tips and voltmeter probe are 6 inches from turntable center. Servocontrolled turntable speed constant within 0.1 percent.

PatchSurfers: Two methods for local molecular property-based binding ligand prediction.

PubMed

Shin, Woong-Hee; Bures, Mark Gregory; Kihara, Daisuke

2016-01-15

Protein function prediction is an active area of research in computational biology. Function prediction can help biologists make hypotheses for characterization of genes and help interpret biological assays, and thus is a productive area for collaboration between experimental and computational biologists. Among various function prediction methods, predicting binding ligand molecules for a target protein is an important class because ligand binding events for a protein are usually closely intertwined with the proteins' biological function, and also because predicted binding ligands can often be directly tested by biochemical assays. Binding ligand prediction methods can be classified into two types: those which are based on protein-protein (or pocket-pocket) comparison, and those that compare a target pocket directly to ligands. Recently, our group proposed two computational binding ligand prediction methods, Patch-Surfer, which is a pocket-pocket comparison method, and PL-PatchSurfer, which compares a pocket to ligand molecules. The two programs apply surface patch-based descriptions to calculate similarity or complementarity between molecules. A surface patch is characterized by physicochemical properties such as shape, hydrophobicity, and electrostatic potentials. These properties on the surface are represented using three-dimensional Zernike descriptors (3DZD), which are based on a series expansion of a 3 dimensional function. Utilizing 3DZD for describing the physicochemical properties has two main advantages: (1) rotational invariance and (2) fast comparison. Here, we introduce Patch-Surfer and PL-PatchSurfer with an emphasis on PL-PatchSurfer, which is more recently developed. Illustrative examples of PL-PatchSurfer performance on binding ligand prediction as well as virtual drug screening are also provided. Copyright © 2015 Elsevier Inc. All rights reserved.

Analysis of the binding loops configuration and surface adaptation of different crystallized single-domain antibodies in response to various antigens.

PubMed

Al Qaraghuli, Mohammed M; Ferro, Valerie A

2017-04-01

Monoclonal antibodies have revolutionized the biomedical field through their ubiquitous utilization in different diagnostics and therapeutic applications. Despite this widespread use, their large size and structural complexity have limited their versatility in specific applications. The antibody variable region that is responsible for binding antigen is embodied within domains that can be rescued individually as single-domain antibody (sdAb) fragments. Because of the unique characteristics of sdAbs, such as low molecular weight, high physicochemical stability, and the ability to bind antigens inaccessible to conventional antibodies, they represent a viable alternative to full-length antibodies. Consequently, 149 crystal structures of sdAbs, originating from human (VH), camelids (VHH), or sharks (VNAR), were retrieved from the Protein Data Bank, and their structures were compared. The 3 types of sdAbs displayed complementarity determining regions (CDRs) with different lengths and configurations. CDR3 of the VHH and VNAR domains were dominated by pleated and extended orientations, respectively. Although VNAR showed the smallest average molecular weight and molecular surface area compared with VHH and VH antibodies. However, the solvent accessible surface area measurements of the 3 tested sdAbs types were very similar. All the antihapten VHH antibodies showed pleated CDR3, which were sufficient to create a binding pocket to accommodate haptens (methotrexate and azo dyes) in terms of shape and electrostatic potential. The sdAbs that recognized lysozyme showed more diversity in their CDR3 orientation to enable them to recognize various topographies of lysozyme. Subsequently, the three sdAb classes were different in size and surface area and have shown distinguishable ability to optimize their CDR length and orientation to recognize different antigen classes. Copyright © 2016 John Wiley & Sons, Ltd.

Versatile Optical Bench for Teaching, Development, and Testing of Electron and Ion Optical Systems

ERIC Educational Resources Information Center

Bhiday, M. R.; And Others

1977-01-01

Describes a versatile apparatus for demonstrating the imaging properties of various types of electrostatic lenses. The apparatus can be used to study the focusing properties of different types of electrostatic electron or ion lenses or their combinations. (MLH)

REDUCING ENERGY AND SPACE REQUIREMENTS BY ELECTROSTATIC AUGMENTATION OF A PULSE-JET FABRIC FILTER

EPA Science Inventory

In work performed several years ago by EPA's research lab then known as Air and Energy Engineering Research Laboratory (EPA/AEERL), small-scale testing and modeling of electrostatically stimulated fabric filtration (ESFF) has indicated than substantial performance benefits could ...

A Triboelectric Sensor Array for Electrostatic Studies on the Lunar Surface

NASA Technical Reports Server (NTRS)

Johansen, Michael R.; Mackey, Paul J.; Calle, C. I.

2015-01-01

The moons electrostatic environment requires careful consideration in the development of future lunar landers. Electrostatically charged dust was well documented during the Apollo missions to cause thermal control, mechanical, and visibility issues. The fine dust particles that make up the surface are electrostatically charged as a result of numerous charging mechanisms. The relatively dry conditions on the moon creates a prime tribocharging environment during surface operations. The photoelectric effect is dominant for lunar day static charging, while plasma electrons are the main contributor for lunar night electrostatic effects. Electrostatic charging is also dependent on solar intensity, Earth-moon relative positions, and cosmic ray flux. This leads to a very complex and dynamic electrostatic environment that must be studied for the success of long term lunar missions.In order to better understand the electrostatic environment of planetary bodies, Kennedy Space Center, in previous collaboration with the Jet Propulsion Laboratory, has developed an electrostatic sensor suite. One of the instruments included in this package is the triboelectric sensor array. It is comprised of strategically selected materials that span the triboelectric series and that also have previous spaceflight history. In this presentation, we discuss detailed testing with the triboelectric sensor array performed at Kennedy Space Center. We will discuss potential benefits and use cases of this low mass, low cost sensor package, both for science and for mission success.

KSC Electrostatic Discharge (ESD) Issues

NASA Technical Reports Server (NTRS)

Buhler, Charles

2008-01-01

Discussion of key electrostatic issues that have arisen during the past few years at KSC that the Electrostatics Laboratory has studied. The lab has studied in depth the Space Shuttle's Thermal Control System Blankets, the International Space Station Thermal Blanket, the Pan/Tilt Camera Blankets, the Kapton Purge Barrier Curtain, the Aclar Purge Barrier Curtain, the Thrust Vector Controller Blankets, the Tyvek Reaction Control System covers, the AID-PAK and FLU-9 pyro inflatable devices, the Velostat Solid Rocket Booster mats, and the SCAPE suits. In many cases these materials are insulating meaning that they might be a source of unsafe levels of electrostatic discharge (ESD). For each, the lab provided in-depth testing of each material within its current configuration to ensure that it does not cause an ESD concern that may violate the safety of the astronauts, the workers and equipment for NASA. For example the lab provides unique solutions and testing such as Spark Incendivity Testing that checks whether a material is capable of generating a spark strong enough to ignite a flammable gas. The lab makes recommendations to changes in specifications, procedures, and material if necessary. The lab also consults with a variety of non-safety related ESD issues for the agency.

Corrosion Protection of Nd-Fe Magnets via Phophatization, Silanization and Electrostatic Spraying with Organic Resin Composite Coatings

NASA Astrophysics Data System (ADS)

Ding, Xia; Li, Jingjie; Li, Musen; Ge, Shengsong; Wang, Xiuchun; Ding, Kaihong; Cui, Shengli; Sun, Yongcong

2014-09-01

Nd-Fe-B permanent magnets possess excellent properties. However, they are highly sensitive to the attack of corrosive environment. The aim of this work is to improve the corrosion resistance of the magnets by phosphatization, silanization, and electrostatic spraying with organic resin composite coatings. Field emission scanning electron microscope (FE-SEM) and energy dispersive spectrometer (EDS) tests showed that uniform phosphate conversion coatings and spray layers were formed on the surface of the Nd-Fe-B magnets. Neutral salt spray tests exhibited that, after treated by either phosphating, silanization or electrostatic spraying, the protectiveness of Nd-Fe-B alloys was apparently increased. And corrosion performance of magnets treated with silane only was slightly inferior to those of phosphatized ones. However, significant improvement in corrosion protection was achieved after two-step treatments, i.e. by top-coating spray layer with phosphate or silane films underneath. Grid test indicated that the phosphate and silane coating were strongly attached to the substrate while silane film was slightly weaker than the phosphate-treated ones. Magnetic property analysis revealed phosphatization, silanization, and electrostatic spraying caused decrease in magnetism, but silanization had the relatively smaller effect.

Tests Results of the Electrostatic Accelerometer Flight Models for Gravity Recovery and Climate Experiment Follow-On Mission (GRACE FO)

NASA Astrophysics Data System (ADS)

Perrot, E.; Boulanger, D.; Christophe, B.; Foulon, B.; Lebat, V.; Huynh, P. A.; Liorzou, F.

2015-12-01

The GRACE FO mission, led by the JPL (Jet Propulsion Laboratory), is an Earth-orbiting gravity mission, continuation of the GRACE mission, which will produce an accurate model of the Earth's gravity field variation providing global climatic data during five years at least. The mission involves two satellites in a loosely controlled tandem formation, with a micro-wave link measuring the inter-satellites distance variation. Earth's mass distribution non-uniformities cause variations of the inter-satellite distance. This variation is measured to recover gravity, after subtracting the non-gravitational contributors, as the residual drag. ONERA (the French Aerospace Lab) is developing, manufacturing and testing electrostatic accelerometers measuring this residual drag applied on the satellites. The accelerometer is composed of two main parts: the Sensor Unit (including the Sensor Unit Mechanics - SUM - and the Front-End Electronic Unit - FEEU) and the Interface Control Unit - ICU. In the Accelerometer Core, located in the Sensor Unit Mechanics, the proof mass is levitated and maintained at the center of an electrode cage by electrostatic forces. Thus, any drag acceleration applied on the satellite involves a variation on the servo-controlled electrostatic suspension of the mass. The voltage on the electrodes providing this electrostatic force is the output measurement of the accelerometer. The impact of the accelerometer defaults (geometry, electronic and parasitic forces) leads to bias, misalignment and scale factor error, non-linearity and noise. Some of these accelerometer defaults are characterized by tests with micro-gravity pendulum bench on ground and with drops in ZARM catapult. The Critical Design Review was achieved successfully on September 2014. The Engineering Model (EM) was integrated and tested successfully, with ground levitation, drops, Electromagnetic Compatibility and thermal vacuum. The integration of the two Flight Models was done on July 2015. The tests will be achieved from July to November 2015. The results of the Engineering Model and Flight Models tests will be presented.

Compact RF ion source for industrial electrostatic ion accelerator

NASA Astrophysics Data System (ADS)

Kwon, Hyeok-Jung; Park, Sae-Hoon; Kim, Dae-Il; Cho, Yong-Sub

2016-02-01

Korea Multi-purpose Accelerator Complex is developing a single-ended electrostatic ion accelerator to irradiate gaseous ions, such as hydrogen and nitrogen, on materials for industrial applications. ELV type high voltage power supply has been selected. Because of the limited space, electrical power, and robust operation, a 200 MHz RF ion source has been developed. In this paper, the accelerator system, test stand of the ion source, and its test results are described.

Compact RF ion source for industrial electrostatic ion accelerator.

PubMed

Kwon, Hyeok-Jung; Park, Sae-Hoon; Kim, Dae-Il; Cho, Yong-Sub

2016-02-01

Korea Multi-purpose Accelerator Complex is developing a single-ended electrostatic ion accelerator to irradiate gaseous ions, such as hydrogen and nitrogen, on materials for industrial applications. ELV type high voltage power supply has been selected. Because of the limited space, electrical power, and robust operation, a 200 MHz RF ion source has been developed. In this paper, the accelerator system, test stand of the ion source, and its test results are described.

The eukaryotic cell originated in the integration and redistribution of hyperstructures from communities of prokaryotic cells based on molecular complementarity.

PubMed

Norris, Vic; Root-Bernstein, Robert

2009-06-04

In the "ecosystems-first" approach to the origins of life, networks of non-covalent assemblies of molecules (composomes), rather than individual protocells, evolved under the constraints of molecular complementarity. Composomes evolved into the hyperstructures of modern bacteria. We extend the ecosystems-first approach to explain the origin of eukaryotic cells through the integration of mixed populations of bacteria. We suggest that mutualism and symbiosis resulted in cellular mergers entailing the loss of redundant hyperstructures, the uncoupling of transcription and translation, and the emergence of introns and multiple chromosomes. Molecular complementarity also facilitated integration of bacterial hyperstructures to perform cytoskeletal and movement functions.

Design and Fabrication of a Differential Electrostatic Accelerometer for Space-Station Testing of the Equivalence Principle.

PubMed

Han, Fengtian; Liu, Tianyi; Li, Linlin; Wu, Qiuping

2016-08-10

The differential electrostatic space accelerometer is an equivalence principle (EP) experiment instrument proposed to operate onboard China's space station in the 2020s. It is designed to compare the spin-spin interaction between two rotating extended bodies and the Earth to a precision of 10(-12), which is five orders of magnitude better than terrestrial experiment results to date. To achieve the targeted test accuracy, the sensitive space accelerometer will use the very soft space environment provided by a quasi-drag-free floating capsule and long-time observation of the free-fall mass motion for integration of the measurements over 20 orbits. In this work, we describe the design and capability of the differential accelerometer to test weak space acceleration. Modeling and simulation results of the electrostatic suspension and electrostatic motor are presented based on attainable space microgravity condition. Noise evaluation shows that the electrostatic actuation and residual non-gravitational acceleration are two major noise sources. The evaluated differential acceleration noise is 1.01 × 10(-9) m/s²/Hz(1/2) at the NEP signal frequency of 0.182 mHz, by neglecting small acceleration disturbances. The preliminary work on development of the first instrument prototype is introduced for on-ground technological assessments. This development has already confirmed several crucial fabrication processes and measurement techniques and it will open the way to the construction of the final differential space accelerometer.

Design and Fabrication of a Differential Electrostatic Accelerometer for Space-Station Testing of the Equivalence Principle

PubMed Central

Han, Fengtian; Liu, Tianyi; Li, Linlin; Wu, Qiuping

2016-01-01

The differential electrostatic space accelerometer is an equivalence principle (EP) experiment instrument proposed to operate onboard China’s space station in the 2020s. It is designed to compare the spin-spin interaction between two rotating extended bodies and the Earth to a precision of 10−12, which is five orders of magnitude better than terrestrial experiment results to date. To achieve the targeted test accuracy, the sensitive space accelerometer will use the very soft space environment provided by a quasi-drag-free floating capsule and long-time observation of the free-fall mass motion for integration of the measurements over 20 orbits. In this work, we describe the design and capability of the differential accelerometer to test weak space acceleration. Modeling and simulation results of the electrostatic suspension and electrostatic motor are presented based on attainable space microgravity condition. Noise evaluation shows that the electrostatic actuation and residual non-gravitational acceleration are two major noise sources. The evaluated differential acceleration noise is 1.01 × 10−9 m/s2/Hz1/2 at the NEP signal frequency of 0.182 mHz, by neglecting small acceleration disturbances. The preliminary work on development of the first instrument prototype is introduced for on-ground technological assessments. This development has already confirmed several crucial fabrication processes and measurement techniques and it will open the way to the construction of the final differential space accelerometer. PMID:27517927

UNIVERSITY OF WASHINGTON ELECTROSTATIC SCRUBBER TESTS AT A STEEL PLANT

EPA Science Inventory

The report gives results of a demonstration of the effectiveness of a 1700 cu m/hr (1000 acfm) University of Washington (UW) Electrostatic Spray Scrubber in controlling fine particle emissions from an electric-arc steel furnace. The two-stage portable pilot plant operates by comb...

Compatibility and Complementarity of Classroom Ecology and Didactique Research Perspectives in Physical Education

ERIC Educational Resources Information Center

Leriche, Jérôme; Desbiens, Jean-François; Amade-Escot, Chantal; Tinning, Richard

2016-01-01

A large diversity of theoretical frameworks exists in the physical education literature. This article focuses on two of those frameworks to examine their compatibility and their complementarity. The classroom ecology paradigm concentrates on the balance between three task systems, two vectors, and programs of actions proposed by the physical…

A Portfolio for Optimal Collaboration of Human and Cyber Physical Production Systems in Problem-Solving

ERIC Educational Resources Information Center

Ansari, Fazel; Seidenberg, Ulrich

2016-01-01

This paper discusses the complementarity of human and cyber physical production systems (CPPS). The discourse of complementarity is elaborated by defining five criteria for comparing the characteristics of human and CPPS. Finally, a management portfolio matrix is proposed for examining the feasibility of optimal collaboration between them. The…

Unraveling the molecular mechanisms of nitrogenase conformational protection against oxygen in diazotrophic bacteria.

PubMed

Lery, Letícia M S; Bitar, Mainá; Costa, Mauricio G S; Rössle, Shaila C S; Bisch, Paulo M

2010-12-22

G. diazotrophicus and A. vinelandii are aerobic nitrogen-fixing bacteria. Although oxygen is essential for the survival of these organisms, it irreversibly inhibits nitrogenase, the complex responsible for nitrogen fixation. Both microorganisms deal with this paradox through compensatory mechanisms. In A. vinelandii a conformational protection mechanism occurs through the interaction between the nitrogenase complex and the FeSII protein. Previous studies suggested the existence of a similar system in G. diazotrophicus, but the putative protein involved was not yet described. This study intends to identify the protein coding gene in the recently sequenced genome of G. diazotrophicus and also provide detailed structural information of nitrogenase conformational protection in both organisms. Genomic analysis of G. diazotrophicus sequences revealed a protein coding ORF (Gdia0615) enclosing a conserved "fer2" domain, typical of the ferredoxin family and found in A. vinelandii FeSII. Comparative models of both FeSII and Gdia0615 disclosed a conserved beta-grasp fold. Cysteine residues that coordinate the 2[Fe-S] cluster are in conserved positions towards the metallocluster. Analysis of solvent accessible residues and electrostatic surfaces unveiled an hydrophobic dimerization interface. Dimers assembled by molecular docking presented a stable behaviour and a proper accommodation of regions possibly involved in binding of FeSII to nitrogenase throughout molecular dynamics simulations in aqueous solution. Molecular modeling of the nitrogenase complex of G. diazotrophicus was performed and models were compared to the crystal structure of A. vinelandii nitrogenase. Docking experiments of FeSII and Gdia0615 with its corresponding nitrogenase complex pointed out in both systems a putative binding site presenting shape and charge complementarities at the Fe-protein/MoFe-protein complex interface. The identification of the putative FeSII coding gene in G. diazotrophicus genome represents a large step towards the understanding of the conformational protection mechanism of nitrogenase against oxygen. In addition, this is the first study regarding the structural complementarities of FeSII-nitrogenase interactions in diazotrophic bacteria. The combination of bioinformatic tools for genome analysis, comparative protein modeling, docking calculations and molecular dynamics provided a powerful strategy for the elucidation of molecular mechanisms and structural features of FeSII-nitrogenase interaction.

Protein-Protein Interaction Site Predictions with Three-Dimensional Probability Distributions of Interacting Atoms on Protein Surfaces

PubMed Central

Chen, Ching-Tai; Peng, Hung-Pin; Jian, Jhih-Wei; Tsai, Keng-Chang; Chang, Jeng-Yih; Yang, Ei-Wen; Chen, Jun-Bo; Ho, Shinn-Ying; Hsu, Wen-Lian; Yang, An-Suei

2012-01-01

Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI) sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins) and were tested on an independent dataset (consisting of 142 proteins). The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted correctly with the physicochemical complementarity features based on the non-covalent interaction data derived from protein interiors. PMID:22701576

Tree species diversity promotes aboveground carbon storage through functional diversity and functional dominance.

PubMed

Mensah, Sylvanus; Veldtman, Ruan; Assogbadjo, Achille E; Glèlè Kakaï, Romain; Seifert, Thomas

2016-10-01

The relationship between biodiversity and ecosystem function has increasingly been debated as the cornerstone of the processes behind ecosystem services delivery. Experimental and natural field-based studies have come up with nonconsistent patterns of biodiversity-ecosystem function, supporting either niche complementarity or selection effects hypothesis. Here, we used aboveground carbon (AGC) storage as proxy for ecosystem function in a South African mistbelt forest, and analyzed its relationship with species diversity, through functional diversity and functional dominance. We hypothesized that (1) diversity influences AGC through functional diversity and functional dominance effects; and (2) effects of diversity on AGC would be greater for functional dominance than for functional diversity. Community weight mean (CWM) of functional traits (wood density, specific leaf area, and maximum plant height) were calculated to assess functional dominance (selection effects). As for functional diversity (complementarity effects), multitrait functional diversity indices were computed. The first hypothesis was tested using structural equation modeling. For the second hypothesis, effects of environmental variables such as slope and altitude were tested first, and separate linear mixed-effects models were fitted afterward for functional diversity, functional dominance, and both. Results showed that AGC varied significantly along the slope gradient, with lower values at steeper sites. Species diversity (richness) had positive relationship with AGC, even when slope effects were considered. As predicted, diversity effects on AGC were mediated through functional diversity and functional dominance, suggesting that both the niche complementarity and the selection effects are not exclusively affecting carbon storage. However, the effects were greater for functional diversity than for functional dominance. Furthermore, functional dominance effects were strongly transmitted by CWM of maximum plant height, reflecting the importance of forest vertical stratification for diversity-carbon relationship. We therefore argue for stronger complementary effects that would be induced also by complementary light-use efficiency of tree and species growing in the understory layer.

40 CFR 63.9590 - What emission limitations must I meet?

Code of Federal Regulations, 2011 CFR

2011-07-01

...) For each dry electrostatic precipitator applied to meet any particulate matter emission limit in Table... voltage and daily average secondary current for each field at or above the minimum levels established during the initial performance test. (4) For each wet electrostatic precipitator applied to meet any...

40 CFR 63.9590 - What emission limitations must I meet?

Code of Federal Regulations, 2010 CFR

2010-07-01

...) For each dry electrostatic precipitator applied to meet any particulate matter emission limit in Table... voltage and daily average secondary current for each field at or above the minimum levels established during the initial performance test. (4) For each wet electrostatic precipitator applied to meet any...

Get Real!--Physically Reasonable Values for Teaching Electrostatics

ERIC Educational Resources Information Center

Morse, Robert A.

2016-01-01

Students get a sense of realistic values for physical situations from texts, but more importantly from solving problems. Therefore, problems should use realistic values for quantities to provide needed practice. Unfortunately, some problems on tests and in textbooks do not use realistic values. Physical situations in electrostatics seem to be…

Evaluating complementary networks of restoration plantings for landscape-scale occurrence of temporally dynamic species.

PubMed

Ikin, Karen; Tulloch, Ayesha; Gibbons, Philip; Ansell, Dean; Seddon, Julian; Lindenmayer, David

2016-10-01

Multibillion dollar investments in land restoration make it critical that conservation goals are achieved cost-effectively. Approaches developed for systematic conservation planning offer opportunities to evaluate landscape-scale, temporally dynamic biodiversity outcomes from restoration and improve on traditional approaches that focus on the most species-rich plantings. We investigated whether it is possible to apply a complementarity-based approach to evaluate the extent to which an existing network of restoration plantings meets representation targets. Using a case study of woodland birds of conservation concern in southeastern Australia, we compared complementarity-based selections of plantings based on temporally dynamic species occurrences with selections based on static species occurrences and selections based on ranking plantings by species richness. The dynamic complementarity approach, which incorporated species occurrences over 5 years, resulted in higher species occurrences and proportion of targets met compared with the static complementarity approach, in which species occurrences were taken at a single point in time. For equivalent cost, the dynamic complementarity approach also always resulted in higher average minimum percent occurrence of species maintained through time and a higher proportion of the bird community meeting representation targets compared with the species-richness approach. Plantings selected under the complementarity approaches represented the full range of planting attributes, whereas those selected under the species-richness approach were larger in size. Our results suggest that future restoration policy should not attempt to achieve all conservation goals within individual plantings, but should instead capitalize on restoration opportunities as they arise to achieve collective value of multiple plantings across the landscape. Networks of restoration plantings with complementary attributes of age, size, vegetation structure, and landscape context lead to considerably better outcomes than conventional restoration objectives of site-scale species richness and are crucial for allocating restoration investment wisely to reach desired conservation goals. © 2016 Society for Conservation Biology.

Bench-scale performance testing and economic analyses of electrostatic dry coal cleaning. Final report, October 1980-July 1983

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

Rich, S.R.

1987-02-01

The report gives results of preliminary performance evaluations and economic analyses of the Advanced Energy Dynamics (AED) electrostatic dry coal-cleaning process. Grab samples of coal-feed-product coals were obtained from 25 operating physical coal-cleaning (PCC) plants. These samples were analyzed for ash, sulfur, and energy content and splits of the original samples of feed run-of-mine coal were provided for bench-scale testing in an electrostatic separation apparatus. The process showed superior sulfur-removal performance at equivalent cost and energy-recovery levels. The ash-removal capability of the process was not evaluated completely: overall, ash-removal results indicated that the process did not perform as well asmore » the PCC plants.« less

Investigation of intermolecular interactions in finasteride drug crystals in view of X-ray and Hirshfeld surface analysis

NASA Astrophysics Data System (ADS)

Bojarska, Joanna; Maniukiewicz, Waldemar

2015-11-01

The N,N-dimethylformamide (DMF) solvate hemihydrate (1) of finasteride, has been structurally characterized by single-crystal X-ray diffraction at 100 K and compared with previously reported finasteride crystalline forms. In addition, in order to resolve ambiguity concerning H-bond interactions, the crystal structure of finasteride hemihydrate, (2), originally reported by Schultheiss et al. in 2009, has been redetermined with higher precision. The (1) and (2) pseudopolymorphs of finasteride crystallize as orthorhombic in chiral P212121 space group with two very similar host molecules in the asymmetric unit. The conformation of fused 6-membered rings are screw-boat, chair and chair for both molecules, while 5-membered rings assume chair in (1), and half-chair in (2). There is a fairly close resemblance of the molecular geometry for all analyzed compounds, arising due to the rigid host molecule. Inter- and intramolecular host-host, host-guest strong O-H⋯O, N-H⋯O hydrogen bonds and weak C-H⋯O interactions form 3D net conferring stability to the crystal packing. Finasterides can be classified as synthon pseudopolymorphs. Isostructural solvates crystallizing in the orthorhombic space group P212121, with Z‧ = 2, exhibit R22(8) C22(15) network, monoclinic solvate (Z‧ = 1) possess D11(2), while both orthorhombic and monoclinic polymorphs have C(4) motifs, respectively. The structural similarities and subtle differences have been interpreted in view of the 3D Hirshfeld surface analysis and associated 2D fingerprint plots, which enabled detailed qualitative and quantitative insight into the intermolecular interactions. The 97-100% of Hirshfeld surface areas are due to H···H, O···H/H⋯O, C···H/H⋯C and N⋯H/H⋯N contacts. Furthermore, the electrostatic potential has been mapped over the Hirshfeld surfaces to decode the electrostatic complementarities, which exist in the crystal packing.

The Impact of Electronic Commerce on the Publishing Industry: Towards a Business Value Complementarity Framework of Electronic Publishing.

ERIC Educational Resources Information Center

Scupola, Ada

1999-01-01

Discussion of the publishing industry and its use of information and communication technologies focuses on the way in which electronic-commerce technologies are changing and could change the publishing processes, and develops a business complementarity model of electronic publishing to maximize profitability and improve the competitive position.…

Phosphorus acquisition by citrate- and phytase-exuding Nicotiana tabacum plant mixtures depends on soil phosphorus availability and root intermingling.

PubMed

Giles, Courtney D; Richardson, Alan E; Cade-Menun, Barbara J; Mezeli, Malika M; Brown, Lawrie K; Menezes-Blackburn, Daniel; Darch, Tegan; Blackwell, Martin Sa; Shand, Charles A; Stutter, Marc I; Wendler, Renate; Cooper, Patricia; Lumsdon, David G; Wearing, Catherine; Zhang, Hao; Haygarth, Philip M; George, Timothy S

2018-03-02

Citrate and phytase root exudates contribute to improved phosphorus (P) acquisition efficiency in Nicotiana tabacum (tobacco) when both exudates are produced in a P deficient soil. To test the importance of root intermingling in the interaction of citrate and phytase exudates, Nicotiana tabacum plant-lines with constitutive expression of heterologous citrate (Cit) or fungal phytase (Phy) exudation traits were grown under two root treatments (roots separated or intermingled) and in two soils with contrasting soil P availability. Complementarity of plant mixtures varying in citrate efflux rate and mobility of the expressed phytase in soil was determined based on plant biomass and P accumulation. Soil P composition was evaluated using solution 31 P NMR spectroscopy. In the soil with limited available P, positive complementarity occurred in Cit+Phy mixtures with roots intermingled. Root separation eliminated positive interactions in mixtures expressing the less mobile phytase (Aspergillus niger PhyA) whereas positive complementarity persisted in mixtures that expressed the more mobile phytase (Peniophora lycii PhyA). Soils from Cit+Phy mixtures contained less inorganic P and more organic P compared to monocultures. Exudate-specific strategies for the acquisition of soil P were most effective in P-limited soil and depended on citrate efflux rate and the relative mobility of the expressed phytase in soil. Plant growth and soil P utilization in plant systems with complementary exudation strategies are expected to be greatest where exudates persist in soil and are expressed synchronously in space and time. This article is protected by copyright. All rights reserved.

Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteins.

PubMed

Vorobjev, Yury N; Scheraga, Harold A; Vila, Jorge A

2018-02-01

A computational method, to predict the pKa values of the ionizable residues Asp, Glu, His, Tyr, and Lys of proteins, is presented here. Calculation of the electrostatic free-energy of the proteins is based on an efficient version of a continuum dielectric electrostatic model. The conformational flexibility of the protein is taken into account by carrying out molecular dynamics simulations of 10 ns in implicit water. The accuracy of the proposed method of calculation of pKa values is estimated from a test set of experimental pKa data for 297 ionizable residues from 34 proteins. The pKa-prediction test shows that, on average, 57, 86, and 95% of all predictions have an error lower than 0.5, 1.0, and 1.5 pKa units, respectively. This work contributes to our general understanding of the importance of protein flexibility for an accurate computation of pKa, providing critical insight about the significance of the multiple neutral states of acid and histidine residues for pKa-prediction, and may spur significant progress in our effort to develop a fast and accurate electrostatic-based method for pKa-predictions of proteins as a function of pH.

The Effect of Visual Devices Based on Bruner's Modes of Representation on Teaching Concepts of Electrostatics to Elementary School Children

ERIC Educational Resources Information Center

McIntyre, Patrick J.; Reed, Jack A.

1976-01-01

Visual devices were used, corresponding to Bruner's three types of information-processing models: enactive (action), iconic (imagery), and symbolic (language). Concluded that the type of visual device had no significant effect on the subjects' achievement on an electrostatics concepts test. (MLH)

The source of electrostatic fluctuations in the solar-wind

NASA Technical Reports Server (NTRS)

Lemons, D. S.; Asbridge, J. R.; Bame, S. J.; Feldman, W. C.; Gary, S. P.; Gosling, J. T.

1979-01-01

Solar wind electron and ion distribution functions measured simultaneously with or close to times of intense electrostatic fluctuations are subjected to a linear Vlasov stability analysis. Although all distributions tested were found to be stable, the analysis suggests that the ion beam instability is the most likely source of the fluctuations.

40 CFR 60.453 - Performance test and compliance provisions.

Code of Federal Regulations, 2010 CFR

2010-07-01

....45 Manual electrostatic spray 0.60 Flow coat 0.85 Dip coat 0.85 Nonrotational automatic electrostatic... applied (G) during the calendar month for each affected facility by the following equation: EC16NO91.038... affected facility that uses a capture system and a control device that destroys VOC's (e.g., incinerator...

Iodine Plasma Species Measurements in a Hall Effect Thruster Plume

DTIC Science & Technology

2013-05-01

with an ExB probe , an electrostatic analyzer (ESA), and a combined ESA/ExB probe . The distribution of xenon ions was also measured. Multiply charge...of iodine ions was measured with an ExB probe , an electrostatic analyzer (ESA), and a combined ESA/ExB probe . • Results: – Multiply charged species...Test Hardware – Vacuum test facility (6’ diameter) – Faraday probe (MIT) – ESA, ExB, ESA/ExB Probes (Plasma Controls) – Rotary probe arm (about

Substituent effects that control conjugated oligomer conformation through non-covalent interactions

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

Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny

Although understanding the conformations and arrangements of conjugated materials as solids is key to their prospective applications, predictive power over these structural factors remains elusive. In this work, substituent effects tune non-covalent interactions between side-chain fluorinated benzyl esters and main-chain terminal arenes, in turn controlling the conformations and interchromophore aggregation of three-ring phenylene-ethynylenes (PEs). Cofacial fluoroarene–arene (ArF–ArH) interactions cause twisting in the PE backbone, interrupting intramolecular conjugation as well as blocking chromophore aggregation, both of which prevent the typically observed bathochromic shift observed upon transitioning PEs from solution to solid. This work highlights two structural factors that determine whether themore » ArF–ArH interactions, and the resulting twisted, unaggregated chromophores, occur in these solids: (i) the electron-releasing characteristic of substituents on ArH, with more electron-releasing character favoring ArF–ArH interactions, and (ii) the fluorination pattern of the ArF ring, with 2,3,4,5,6-pentafluorophenyl favoring ArF–ArH interactions over 2,4,6-trifluorophenyl. Furthermore, these trends indicate that considerations of electrostatic complementarity, whether through a polar-π or substituent–substituent mechanism, can serve as an effective design principle in controlling the interaction strengths, and therefore the optoelectronic properties, of these molecules as solids.« less

The Binding Mode Prediction and Similar Ligand Potency in the Active Site of Vitamin D Receptor with QM/MM Interaction, MESP, and MD Simulation.

PubMed

Selvaraman, Nagamani; Selvam, Saravana Kumar; Muthusamy, Karthikeyan

2016-08-01

Non-secosteroidal ligands are well-known vitamin D receptor (VDR) agonists. In this study, we described a combined QM/MM to define the protein-ligand interaction energy a strong positive correlation in both QM-MM interaction energy and binding free energy against the biological activity. The molecular dynamics simulation study was performed, and specific interactions were extensively studied. The molecular docking results and surface analysis shed light on steric and electrostatic complementarities of these non-secosteroidal ligands to VDR. Finally, the drug likeness properties were also calculated and found within the acceptable range. The results show that bulky group substitutions in side chain decrease the VDR activity, whereas a small substitution increased it. Functional analyses of H393A and H301A mutations substantiate their roles in the VDR agonistic and antagonistic activities. Apart from the His393 and His301, two other amino acids in the hinge region viz. Ser233 and Arg270 acted as an electron donor/acceptor specific to the agonist in the distinct ligand potency. The results from this study disclose the binding mechanism of VDR agonists and structural modifications required to improve the selectivity. © 2016 John Wiley & Sons A/S.

Assembling oppositely charged lock and key responsive colloids: A mesoscale analog of adaptive chemistry

PubMed Central

Mihut, Adriana M.; Stenqvist, Björn; Lund, Mikael; Schurtenberger, Peter; Crassous, Jérôme J.

2017-01-01

We have seen a considerable effort in colloid sciences to copy Nature’s successful strategies to fabricate complex functional structures through self-assembly. This includes attempts to design colloidal building blocks and their intermolecular interactions, such as creating the colloidal analogs of directional molecular interactions, molecular recognition, host-guest systems, and specific binding. We show that we can use oppositely charged thermoresponsive particles with complementary shapes, such as spherical and bowl-shaped particles, to implement an externally controllable lock-and-key self-assembly mechanism. The use of tunable electrostatic interactions combined with the temperature-dependent size and shape and van der Waals interactions of these building blocks provides an exquisite control over the selectivity and specificity of the interactions and self-assembly process. The dynamic nature of the mechanism allows for reversibly cycling through various structures that range from weakly structured dense liquids to well-defined molecule-shaped clusters with different configurations through variations in temperature and ionic strength. We link this complex and dynamic self-assembly behavior to the relevant molecular interactions, such as screened Coulomb and van der Waals forces and the geometrical complementarity of the two building blocks, and discuss our findings in the context of the concepts of adaptive chemistry recently introduced to molecular systems. PMID:28929133

Crystal structure and functional interpretation of the erythrocyte spectrin tetramerization domain complex

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

Ipsaro, Jonathan J.; Harper, Sandra L.; Messick, Troy E.

2010-09-07

As the principal component of the membrane skeleton, spectrin confers integrity and flexibility to red cell membranes. Although this network involves many interactions, the most common hemolytic anemia mutations that disrupt erythrocyte morphology affect the spectrin tetramerization domains. Although much is known clinically about the resulting conditions (hereditary elliptocytosis and pyropoikilocytosis), the detailed structural basis for spectrin tetramerization and its disruption by hereditary anemia mutations remains elusive. Thus, to provide further insights into spectrin assembly and tetramer site mutations, a crystal structure of the spectrin tetramerization domain complex has been determined. Architecturally, this complex shows striking resemblance to multirepeat spectrinmore » fragments, with the interacting tetramer site region forming a central, composite repeat. This structure identifies conformational changes in {alpha}-spectrin that occur upon binding to {beta}-spectrin, and it reports the first structure of the {beta}-spectrin tetramerization domain. Analysis of the interaction surfaces indicates an extensive interface dominated by hydrophobic contacts and supplemented by electrostatic complementarity. Analysis of evolutionarily conserved residues suggests additional surfaces that may form important interactions. Finally, mapping of hereditary anemia-related mutations onto the structure demonstrate that most, but not all, local hereditary anemia mutations map to the interacting domains. The potential molecular effects of these mutations are described.« less

Crystal Structure and Functional Interpretation of the Erythrocyte spectrin Tetramerization Domain Complex

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

J Ipsaro; S Harper; T Messick

2011-12-31

As the principal component of the membrane skeleton, spectrin confers integrity and flexibility to red cell membranes. Although this network involves many interactions, the most common hemolytic anemia mutations that disrupt erythrocyte morphology affect the spectrin tetramerization domains. Although much is known clinically about the resulting conditions (hereditary elliptocytosis and pyropoikilocytosis), the detailed structural basis for spectrin tetramerization and its disruption by hereditary anemia mutations remains elusive. Thus, to provide further insights into spectrin assembly and tetramer site mutations, a crystal structure of the spectrin tetramerization domain complex has been determined. Architecturally, this complex shows striking resemblance to multirepeat spectrinmore » fragments, with the interacting tetramer site region forming a central, composite repeat. This structure identifies conformational changes in {alpha}-spectrin that occur upon binding to {beta}-spectrin, and it reports the first structure of the {beta}-spectrin tetramerization domain. Analysis of the interaction surfaces indicates an extensive interface dominated by hydrophobic contacts and supplemented by electrostatic complementarity. Analysis of evolutionarily conserved residues suggests additional surfaces that may form important interactions. Finally, mapping of hereditary anemia-related mutations onto the structure demonstrate that most, but not all, local hereditary anemia mutations map to the interacting domains. The potential molecular effects of these mutations are described.« less

Substituent effects that control conjugated oligomer conformation through non-covalent interactions

DOE PAGES

Sharber, Seth A.; Baral, Rom Nath; Frausto, Fanny; ...

2017-03-31

Although understanding the conformations and arrangements of conjugated materials as solids is key to their prospective applications, predictive power over these structural factors remains elusive. In this work, substituent effects tune non-covalent interactions between side-chain fluorinated benzyl esters and main-chain terminal arenes, in turn controlling the conformations and interchromophore aggregation of three-ring phenylene-ethynylenes (PEs). Cofacial fluoroarene–arene (ArF–ArH) interactions cause twisting in the PE backbone, interrupting intramolecular conjugation as well as blocking chromophore aggregation, both of which prevent the typically observed bathochromic shift observed upon transitioning PEs from solution to solid. This work highlights two structural factors that determine whether themore » ArF–ArH interactions, and the resulting twisted, unaggregated chromophores, occur in these solids: (i) the electron-releasing characteristic of substituents on ArH, with more electron-releasing character favoring ArF–ArH interactions, and (ii) the fluorination pattern of the ArF ring, with 2,3,4,5,6-pentafluorophenyl favoring ArF–ArH interactions over 2,4,6-trifluorophenyl. Furthermore, these trends indicate that considerations of electrostatic complementarity, whether through a polar-π or substituent–substituent mechanism, can serve as an effective design principle in controlling the interaction strengths, and therefore the optoelectronic properties, of these molecules as solids.« less

Targeting Yes-associated Protein with Evolved Peptide Aptamers to Disrupt TGF-β Signaling Pathway: Therapeutic Implication for Bone Tumor.

PubMed

Ji, Wei-Ping; Dong, Yang

2015-11-01

The binding of transcription coactivator Yes-associated protein (YAP) to Smad transcription factors is an important event in activating transforming growth factor-β (TGF-β) signaling pathway, which is involved in the tumorigenicity and metastasis of bone tumor. Design of peptide aptamers to disrupt YAPSmad interaction has been established as a promising approach for bone tumor therapy. Here, an evolution strategy was used to optimize Smad-derived peptides for high potency binding to YAP WW2 domain, resulting in an improved peptide population, from which those high-scoring candidates were characterized rigorously using molecular dynamics (MD) simulations and interaction free energy calculations. With the computational protocol we were able to generate a number of potential domain binders, which were then substantiated by using fluorescence spectroscopy assay. Subsequently, the complex structure of YAP WW2 domain with a high-affinity peptide was modeled and examined in detail, which was then used to guide structure-based peptide optimization to obtain several strong domain binders. Structural and energetic analysis revealed that electrostatic complementarity is primarily responsible for domainpeptide recognition, while other nonbonded interactions such as hydrogen bonding and salt bridges can contribute significantly to the recognition specificity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

3dRPC: a web server for 3D RNA-protein structure prediction.

PubMed

Huang, Yangyu; Li, Haotian; Xiao, Yi

2018-04-01

RNA-protein interactions occur in many biological processes. To understand the mechanism of these interactions one needs to know three-dimensional (3D) structures of RNA-protein complexes. 3dRPC is an algorithm for prediction of 3D RNA-protein complex structures and consists of a docking algorithm RPDOCK and a scoring function 3dRPC-Score. RPDOCK is used to sample possible complex conformations of an RNA and a protein by calculating the geometric and electrostatic complementarities and stacking interactions at the RNA-protein interface according to the features of atom packing of the interface. 3dRPC-Score is a knowledge-based potential that uses the conformations of nucleotide-amino-acid pairs as statistical variables and that is used to choose the near-native complex-conformations obtained from the docking method above. Recently, we built a web server for 3dRPC. The users can easily use 3dRPC without installing it locally. RNA and protein structures in PDB (Protein Data Bank) format are the only needed input files. It can also incorporate the information of interface residues or residue-pairs obtained from experiments or theoretical predictions to improve the prediction. The address of 3dRPC web server is http://biophy.hust.edu.cn/3dRPC. yxiao@hust.edu.cn.

One-pot synthesis of high molecular weight synthetic heteroprotein dimers driven by charge complementarity electrostatic interactions.

PubMed

Hvasanov, David; Nam, Ekaterina V; Peterson, Joshua R; Pornsaksit, Dithepon; Wiedenmann, Jörg; Marquis, Christopher P; Thordarson, Pall

2014-10-17

Despite the importance of protein dimers and dimerization in biology, the formation of protein dimers through synthetic covalent chemistry has not found widespread use. In the case of maleimide-cysteine-based dimerization of proteins, we show here that when the proteins have the same charge, dimerization appears to be inherently difficult with yields around 1% or less, regardless of the nature of the spacer used or whether homo- or heteroprotein dimers are targeted. In contrast, if the proteins have opposing (complementary) charges, the formation of heteroprotein dimers proceeds much more readily, and in the case of one high molecular weight (>80 kDa) synthetic dimer between cytochrome c and bovine serum albumin, a 30% yield of the purified, isolated dimer was achieved. This represents at least a 30-fold increase in yield for protein dimers formed from proteins with complementary charges, compared to when the proteins have the same charge, under otherwise similar conditions. These results illustrate the role of ionic supramolecular interactions in controlling the reactivity of proteins toward bis-functionalized spacers. The strategy here for effective synthetic dimerization of proteins could be very useful for developing novel approaches to study the important role of protein-protein interactions in chemical biology.

On the Embedded Complementarity of Agent-Based and Aggregate Reasoning in Students' Developing Understanding of Dynamic Systems

ERIC Educational Resources Information Center

Stroup, Walter M.; Wilensky, Uri

2014-01-01

Placed in the larger context of broadening the engagement with systems dynamics and complexity theory in school-aged learning and teaching, this paper is intended to introduce, situate, and illustrate--with results from the use of network supported participatory simulations in classrooms--a stance we call "embedded complementarity" as an…

Has Complementarity between Employer-Sponsored Training and Education in the U.S. Changed during the 2000s?

ERIC Educational Resources Information Center

Waddoups, C. Jeffrey

2018-01-01

The study reveals that the positive correlation between formal education and job training (complementarity) has weakened during the 2000s. Using U.S. Census Bureau data from the Survey of Income and Program Participation, the study finds that although workers in all categories of educational attainment felt the decline, the effects were strongest…

Multiple-algorithm parallel fusion of infrared polarization and intensity images based on algorithmic complementarity and synergy

NASA Astrophysics Data System (ADS)

Zhang, Lei; Yang, Fengbao; Ji, Linna; Lv, Sheng

2018-01-01

Diverse image fusion methods perform differently. Each method has advantages and disadvantages compared with others. One notion is that the advantages of different image methods can be effectively combined. A multiple-algorithm parallel fusion method based on algorithmic complementarity and synergy is proposed. First, in view of the characteristics of the different algorithms and difference-features among images, an index vector-based feature-similarity is proposed to define the degree of complementarity and synergy. This proposed index vector is a reliable evidence indicator for algorithm selection. Second, the algorithms with a high degree of complementarity and synergy are selected. Then, the different degrees of various features and infrared intensity images are used as the initial weights for the nonnegative matrix factorization (NMF). This avoids randomness of the NMF initialization parameter. Finally, the fused images of different algorithms are integrated using the NMF because of its excellent data fusing performance on independent features. Experimental results demonstrate that the visual effect and objective evaluation index of the fused images obtained using the proposed method are better than those obtained using traditional methods. The proposed method retains all the advantages that individual fusion algorithms have.

Leveraging genome-wide datasets to quantify the functional role of the anti-Shine-Dalgarno sequence in regulating translation efficiency.

PubMed

Hockenberry, Adam J; Pah, Adam R; Jewett, Michael C; Amaral, Luís A N

2017-01-01

Studies dating back to the 1970s established that sequence complementarity between the anti-Shine-Dalgarno (aSD) sequence on prokaryotic ribosomes and the 5' untranslated region of mRNAs helps to facilitate translation initiation. The optimal location of aSD sequence binding relative to the start codon, the full extents of the aSD sequence and the functional form of the relationship between aSD sequence complementarity and translation efficiency have not been fully resolved. Here, we investigate these relationships by leveraging the sequence diversity of endogenous genes and recently available genome-wide estimates of translation efficiency. We show that-after accounting for predicted mRNA structure-aSD sequence complementarity increases the translation of endogenous mRNAs by roughly 50%. Further, we observe that this relationship is nonlinear, with translation efficiency maximized for mRNAs with intermediate levels of aSD sequence complementarity. The mechanistic insights that we observe are highly robust: we find nearly identical results in multiple datasets spanning three distantly related bacteria. Further, we verify our main conclusions by re-analysing a controlled experimental dataset. © 2017 The Authors.

Plant diversity effects on grassland productivity are robust to both nutrient enrichment and drought

PubMed Central

Isbell, Forest; Manning, Pete; Connolly, John; Bruelheide, Helge; Ebeling, Anne; Roscher, Christiane; van Ruijven, Jasper; Weigelt, Alexandra; Wilsey, Brian; Beierkuhnlein, Carl; de Luca, Enrica; Griffin, John N.; Hautier, Yann; Hector, Andy; Jentsch, Anke; Kreyling, Jürgen; Lanta, Vojtech; Loreau, Michel; Meyer, Sebastian T.; Mori, Akira S.; Naeem, Shahid; Palmborg, Cecilia; Polley, H. Wayne; Reich, Peter B.; Schmid, Bernhard; Siebenkäs, Alrun; Seabloom, Eric; Thakur, Madhav P.; Tilman, David; Vogel, Anja; Eisenhauer, Nico

2016-01-01

Global change drivers are rapidly altering resource availability and biodiversity. While there is consensus that greater biodiversity increases the functioning of ecosystems, the extent to which biodiversity buffers ecosystem productivity in response to changes in resource availability remains unclear. We use data from 16 grassland experiments across North America and Europe that manipulated plant species richness and one of two essential resources—soil nutrients or water—to assess the direction and strength of the interaction between plant diversity and resource alteration on above-ground productivity and net biodiversity, complementarity, and selection effects. Despite strong increases in productivity with nutrient addition and decreases in productivity with drought, we found that resource alterations did not alter biodiversity–ecosystem functioning relationships. Our results suggest that these relationships are largely determined by increases in complementarity effects along plant species richness gradients. Although nutrient addition reduced complementarity effects at high diversity, this appears to be due to high biomass in monocultures under nutrient enrichment. Our results indicate that diversity and the complementarity of species are important regulators of grassland ecosystem productivity, regardless of changes in other drivers of ecosystem function. PMID:27114579

By-product mutualism with evolving common enemies.

PubMed

De Jaegher, Kris

2017-05-07

The common-enemy hypothesis of by-product mutualism states that organisms cooperate when it is in their individual interests to do so, with benefits for other organisms arising as a by-product; in particular, such cooperation is hypothesized to arise when organisms face the common enemy of a sufficiently adverse environment. In an evolutionary game where two defenders can cooperate to defend a common resource, this paper analyzes the common-enemy hypothesis when adversity is endogenous, in that an attacker sets the number of attacks. As a benchmark, we first consider exogenous adversity, where adversity is not subject to evolution. In this case, the common-enemy hypothesis is predicted when the degree of complementarity between defenders' defensive efforts is sufficiently low. When the degree of complementarity is high, the hypothesis is predicted only when cooperation costs are high; when cooperation costs are instead low, a competing hypothesis is predicted, where adversity discourages cooperation. Second, we consider the case of endogenous adversity. In this case, we continue to predict the competing hypothesis for a high degree of complementarity and low cooperation costs. The common-enemy hypothesis, however, only continues to be predicted for the lowest degrees of complementarity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Separability of electrostatic and hydrodynamic forces in particle electrophoresis

NASA Astrophysics Data System (ADS)

Todd, Brian A.; Cohen, Joel A.

2011-09-01

By use of optical tweezers we explicitly measure the electrostatic and hydrodynamic forces that determine the electrophoretic mobility of a charged colloidal particle. We test the ansatz of O'Brien and White [J. Chem. Soc. Faraday IIJCFTBS0300-923810.1039/f29787401607 74, 1607 (1978)] that the electrostatically and hydrodynamically coupled electrophoresis problem is separable into two simpler problems: (1) a particle held fixed in an applied electric field with no flow field and (2) a particle held fixed in a flow field with no applied electric field. For a system in the Helmholtz-Smoluchowski and Debye-Hückel regimes, we find that the electrostatic and hydrodynamic forces measured independently accurately predict the electrophoretic mobility within our measurement precision of 7%; the O'Brien and White ansatz holds under the conditions of our experiment.

Evaluation of performance of footwear and flooring systems in combination with personnel using voltage probability analysis

NASA Astrophysics Data System (ADS)

Smallwood, Jeremy; Swenson, David E.

2011-06-01

Evaluation of electrostatic performance of footwear and flooring in combination is necessary in applications such as electrostatic discharge (ESD) control in electronics manufacture, evaluation of equipment for avoidance of factory process electrostatic ignition risks and avoidance of electrostatic shocks to personnel in working environments. Typical standards use a walking test in which the voltage produced on a subject is evaluated by identification and measurement of the magnitude of the 5 highest "peaks" and "valleys" of the recorded voltage waveform. This method does not lend itself to effective analysis of the risk that the voltage will exceed a hazard threshold. This paper shows the advantages of voltage probability analysis and recommends that the method is adopted for use in future standards.

Characterizing the Performance of the Wheel Electrostatic Spectrometer

NASA Technical Reports Server (NTRS)

Johansen, Michael R.; Mackey, P. J.; Holbert, E.; Calle, C. I.; Clements, J. S.

2013-01-01

Insulators need to be discharged after each wheel revolution. Sensor responses repeatable within one standard deviation in the noise of the signal. Insulators may not need to be cleaned after each revolution. Parent Technology- Mars Environmental Compatibility Assessment/Electrometer Electrostatic sensors with dissimilar cover insulators Protruding insulators tribocharge against regolith simulant Developed for use on the scoop for the 2001 Mars Odyssey lander Wheel Electrostatic Spectrometer Embedded electrostatic sensors in prototype Martian rover wheel If successful, this technology will enable constant electrostatic testing on Mars Air ionizing fan used to neutralize the surface charge on cover insulators . WES rolled on JSClA lunar simulant Control experiment -Static elimination not conducted between trials -Capacitor discharged after each experiment Charge neutralization experiment -Static elimination conducted between trials -Capacitor discharged after each experiment. Air ionizing fan used on insulators after each wheel revolution Capacitor discharged after each trial Care was taken to roll WES with same speed/pressure Error bars represent one standard deviation in the noise of e ach sensor

Electrostatic Precipitator

NASA Image and Video Library

2017-06-09

In their Swamp Works laboratory at NASA's Kennedy Space Center, Dr. Carlos Calle and Jay Phillips are testing an electrostatic precipitator using dust that closely approximates the make-up of that on Mars. They upgraded their electrostatic precipitator to fully simulate Martian atmosphere by designing and constructing a dust aerosolization pre-chamber. The agency's Journey to Mars requires cutting-edge technologies to solve the problems explorers will face on the Red Planet. Scientists are developing some of the needed solutions by adapting a device to remove the ever-present dust from valuable elements in the Martian atmosphere. Those commodities include oxygen, water and methane.

Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii

PubMed Central

2012-01-01

Background The Poisson-Boltzmann (PB) equation and its linear approximation have been widely used to describe biomolecular electrostatics. Generalized Born (GB) models offer a convenient computational approximation for the more fundamental approach based on the Poisson-Boltzmann equation, and allows estimation of pairwise contributions to electrostatic effects in the molecular context. Results We have implemented in a single program most common analyses of the electrostatic properties of proteins. The program first computes generalized Born radii, via a surface integral and then it uses generalized Born radii (using a finite radius test particle) to perform electrostic analyses. In particular the ouput of the program entails, depending on user's requirement: 1) the generalized Born radius of each atom; 2) the electrostatic solvation free energy; 3) the electrostatic forces on each atom (currently in a dvelopmental stage); 4) the pH-dependent properties (total charge and pH-dependent free energy of folding in the pH range -2 to 18; 5) the pKa of all ionizable groups; 6) the electrostatic potential at the surface of the molecule; 7) the electrostatic potential in a volume surrounding the molecule; Conclusions Although at the expense of limited flexibility the program provides most common analyses with requirement of a single input file in PQR format. The results obtained are comparable to those obtained using state-of-the-art Poisson-Boltzmann solvers. A Linux executable with example input and output files is provided as supplementary material. PMID:22536964

A Metasynthesis of the Complementarity of Culturally Responsive and Inquiry-Based Science Education in K-12 Settings: Implications for Advancing Equitable Science Teaching and Learning

ERIC Educational Resources Information Center

Brown, Julie C.

2017-01-01

Employing metasynthesis as a method, this study examined 52 empirical articles on culturally relevant and responsive science education in K-12 settings to determine the nature and scope of complementarity between culturally responsive and inquiry-based science practices (i.e., science and engineering practices identified in the National Research…

Convergence analysis of modulus-based matrix splitting iterative methods for implicit complementarity problems.

PubMed

Wang, An; Cao, Yang; Shi, Quan

2018-01-01

In this paper, we demonstrate a complete version of the convergence theory of the modulus-based matrix splitting iteration methods for solving a class of implicit complementarity problems proposed by Hong and Li (Numer. Linear Algebra Appl. 23:629-641, 2016). New convergence conditions are presented when the system matrix is a positive-definite matrix and an [Formula: see text]-matrix, respectively.

Individual-based analyses reveal limited functional overlap in a coral reef fish community.

PubMed

Brandl, Simon J; Bellwood, David R

2014-05-01

Detailed knowledge of a species' functional niche is crucial for the study of ecological communities and processes. The extent of niche overlap, functional redundancy and functional complementarity is of particular importance if we are to understand ecosystem processes and their vulnerability to disturbances. Coral reefs are among the most threatened marine systems, and anthropogenic activity is changing the functional composition of reefs. The loss of herbivorous fishes is particularly concerning as the removal of algae is crucial for the growth and survival of corals. Yet, the foraging patterns of the various herbivorous fish species are poorly understood. Using a multidimensional framework, we present novel individual-based analyses of species' realized functional niches, which we apply to a herbivorous coral reef fish community. In calculating niche volumes for 21 species, based on their microhabitat utilization patterns during foraging, and computing functional overlaps, we provide a measurement of functional redundancy or complementarity. Complementarity is the inverse of redundancy and is defined as less than 50% overlap in niche volumes. The analyses reveal extensive complementarity with an average functional overlap of just 15.2%. Furthermore, the analyses divide herbivorous reef fishes into two broad groups. The first group (predominantly surgeonfishes and parrotfishes) comprises species feeding on exposed surfaces and predominantly open reef matrix or sandy substrata, resulting in small niche volumes and extensive complementarity. In contrast, the second group consists of species (predominantly rabbitfishes) that feed over a wider range of microhabitats, penetrating the reef matrix to exploit concealed surfaces of various substratum types. These species show high variation among individuals, leading to large niche volumes, more overlap and less complementarity. These results may have crucial consequences for our understanding of herbivorous processes on coral reefs, as algal removal appears to depend strongly on species-specific microhabitat utilization patterns of herbivores. Furthermore, the results emphasize the capacity of the individual-based analyses to reveal variation in the functional niches of species, even in high-diversity systems such as coral reefs, demonstrating its potential applicability to other high-diversity ecosystems. © 2013 The Authors. Journal of Animal Ecology © 2013 British Ecological Society.

Horizons of description: Black holes and complementarity

NASA Astrophysics Data System (ADS)

Bokulich, Peter Joshua Martin

Niels Bohr famously argued that a consistent understanding of quantum mechanics requires a new epistemic framework, which he named complementarity . This position asserts that even in the context of quantum theory, classical concepts must be used to understand and communicate measurement results. The apparent conflict between certain classical descriptions is avoided by recognizing that their application now crucially depends on the measurement context. Recently it has been argued that a new form of complementarity can provide a solution to the so-called information loss paradox. Stephen Hawking argues that the evolution of black holes cannot be described by standard unitary quantum evolution, because such evolution always preserves information, while the evaporation of a black hole will imply that any information that fell into it is irrevocably lost---hence a "paradox." Some researchers in quantum gravity have argued that this paradox can be resolved if one interprets certain seemingly incompatible descriptions of events around black holes as instead being complementary. In this dissertation I assess the extent to which this black hole complementarity can be undergirded by Bohr's account of the limitations of classical concepts. I begin by offering an interpretation of Bohr's complementarity and the role that it plays in his philosophy of quantum theory. After clarifying the nature of classical concepts, I offer an account of the limitations these concepts face, and argue that Bohr's appeal to disturbance is best understood as referring to these conceptual limits. Following preparatory chapters on issues in quantum field theory and black hole mechanics, I offer an analysis of the information loss paradox and various responses to it. I consider the three most prominent accounts of black hole complementarity and argue that they fail to offer sufficient justification for the proposed incompatibility between descriptions. The lesson that emerges from this dissertation is that we have as much to learn from the limitations facing our scientific descriptions as we do from the successes they enjoy. Because all of our scientific theories offer at best limited, effective accounts of the world, an important part of our interpretive efforts will be assessing the borders of these domains of description.

Improving controllable adhesion on both rough and smooth surfaces with a hybrid electrostatic/gecko-like adhesive

PubMed Central

Ruffatto, Donald; Parness, Aaron; Spenko, Matthew

2014-01-01

This paper describes a novel, controllable adhesive that combines the benefits of electrostatic adhesives with gecko-like directional dry adhesives. When working in combination, the two technologies create a positive feedback cycle whose adhesion, depending on the surface type, is often greater than the sum of its parts. The directional dry adhesive brings the electrostatic adhesive closer to the surface, increasing its effect. Similarly, the electrostatic adhesion helps engage more of the directional dry adhesive fibrillar structures, particularly on rough surfaces. This paper presents the new hybrid adhesive's manufacturing process and compares its performance to three other adhesive technologies manufactured using a similar process: reinforced PDMS, electrostatic and directional dry adhesion. Tests were performed on a set of ceramic tiles with varying roughness to quantify its effect on shear adhesive force. The relative effectiveness of the hybrid adhesive increases as the surface roughness is increased. Experimental data are also presented for different substrate materials to demonstrate the enhanced performance achieved with the hybrid adhesive. Results show that the hybrid adhesive provides up to 5.1× greater adhesion than the electrostatic adhesive or directional dry adhesive technologies alone. PMID:24451392

ELISA - an electrostatic storage ring for low-energy ions

NASA Astrophysics Data System (ADS)

Pape Moeller, Soeren

1997-05-01

The design of a new type of storage ring for low-energy ions using electrostatic deflection and focusing devices is described. Electrostatic bends and quadrupoles are used since they are more efficient than magnetic ones for low-velocity heavy ions. Furthermore, electrostatic devices are more compact and easier to construct than magnetic devices. In comparison to an electromagnetic trap, one important advantage of the elecrostatic ring is the easy access to the circulating beam and its decay products. These and other features, e.g. no magnetic fields, makes such storage devices attractive for many atomic-physics experiments. Also neigboring fields as chemistry and biology might benefit from such an relatively inexpensive device. One important difference between an electrostatic and a magnetic ring is, that the longitudinal energy is not conserved for the electrostatic ring. The actual ring will have a race-track shape as defined by two straight sections each with two quadrupole doublets connected by 180-degrees bends. The bends will consist of 160-degrees spherical deflection plates surrounded by two parallel plate 10-degrees bends. The storage ring ELISA, currently being built, will have a circumference of 6 meters. The first beam tests will take place during summer 1996.

Status of Electrostatic Accelerometer Development for Gravity Recovery and Climate Experiment Follow-On Mission (GRACE FO)

NASA Astrophysics Data System (ADS)

Perrot, Eddy; Boulanger, Damien; Christophe, Bruno; Foulon, Bernard; Liorzou, Françoise; Lebat, Vincent; Huynh, Phuong-Anh

2015-04-01

The GRACE FO mission, led by the JPL (Jet Propulsion Laboratory), is an Earth-orbiting gravity mission, continuation of the GRACE mission, which will produce an accurate model of the Earth's gravity field variation providing global climatic data during five years at least. The mission involves two satellites in a loosely controlled tandem formation, with a micro-wave link measuring the inter-satellites distance variation. Earth's mass distribution non-uniformities cause variations of the inter-satellite distance. This variation is measured to recover gravity, after subtracting the non-gravitational contributors, as the residual drag. ONERA (the French Aerospace Lab) is developing, manufacturing and testing electrostatic accelerometers measuring this residual drag applied on the satellites. The accelerometer is composed of two main parts: the Sensor Unit (including the Sensor Unit Mechanics - SUM - and the Front-End Electronic Unit - FEEU) and the Interface Control Unit - ICU. In the Accelerometer Core, located in the Sensor Unit Mechanics, the proof mass is levitated and maintained at the center of an electrode cage by electrostatic forces. Thus, any drag acceleration applied on the satellite involves a variation on the servo-controlled electrostatic suspension of the mass. The voltage on the electrodes providing this electrostatic force is the measurement output of the accelerometer. The impact of the accelerometer defaults (geometry, electronic and parasitic forces) leads to bias, misalignment and scale factor error, non-linearity and noise. Some of these accelerometer defaults are characterized by tests with micro-gravity pendulum bench on ground and with drops in ZARM catapult. The Critical Design Review was achieved successfully on September 2014. The Engineering Model (EM) was integrated and tested successfully, with ground levitation, drops, Electromagnetic Compatibility and thermal vacuum. The integration of the first Flight Model has begun on December 2014 and will be achieved on January 2015. The results of the Engineering Model tests and the status of the Flight Models will be presented.

The pKa Cooperative: A Collaborative Effort to Advance Structure-Based Calculations of pKa values and Electrostatic Effects in Proteins

PubMed Central

Nielsen, Jens E.; Gunner, M. R.; Bertrand García-Moreno, E.

2012-01-01

The pKa Cooperative http://www.pkacoop.org was organized to advance development of accurate and useful computational methods for structure-based calculation of pKa values and electrostatic energy in proteins. The Cooperative brings together laboratories with expertise and interest in theoretical, computational and experimental studies of protein electrostatics. To improve structure-based energy calculations it is necessary to better understand the physical character and molecular determinants of electrostatic effects. The Cooperative thus intends to foment experimental research into fundamental aspects of proteins that depend on electrostatic interactions. It will maintain a depository for experimental data useful for critical assessment of methods for structure-based electrostatics calculations. To help guide the development of computational methods the Cooperative will organize blind prediction exercises. As a first step, computational laboratories were invited to reproduce an unpublished set of experimental pKa values of acidic and basic residues introduced in the interior of staphylococcal nuclease by site-directed mutagenesis. The pKa values of these groups are unique and challenging to simulate owing to the large magnitude of their shifts relative to normal pKa values in water. Many computational methods were tested in this 1st Blind Prediction Challenge and critical assessment exercise. A workshop was organized in the Telluride Science Research Center to assess objectively the performance of many computational methods tested on this one extensive dataset. This volume of PROTEINS: Structure, Function, and Bioinformatics introduces the pKa Cooperative, presents reports submitted by participants in the blind prediction challenge, and highlights some of the problems in structure-based calculations identified during this exercise. PMID:22002877

First-principles simulations of electrostatic interactions between dust grains

NASA Astrophysics Data System (ADS)

Itou, H.; Amano, T.; Hoshino, M.

2014-12-01

We investigated the electrostatic interaction between two identical dust grains of an infinite mass immersed in homogeneous plasma by employing first-principles N-body simulations combined with the Ewald method. We specifically tested the possibility of an attractive force due to overlapping Debye spheres (ODSs), as was suggested by Resendes et al. [Phys. Lett. A 239, 181-186 (1998)]. Our simulation results demonstrate that the electrostatic interaction is repulsive and even stronger than the standard Yukawa potential. We showed that the measured electric field acting on the grain is highly consistent with a model electrostatic potential around a single isolated grain that takes into account a correction due to the orbital motion limited theory. Our result is qualitatively consistent with the counterargument suggested by Markes and Williams [Phys. Lett. A 278, 152-158 (2000)], indicating the absence of the ODS attractive force.

Skill complementarity enhances heterophily in collaboration networks

PubMed Central

Xie, Wen-Jie; Li, Ming-Xia; Jiang, Zhi-Qiang; Tan, Qun-Zhao; Podobnik, Boris; Zhou, Wei-Xing; Stanley, H. Eugene

2016-01-01

Much empirical evidence shows that individuals usually exhibit significant homophily in social networks. We demonstrate, however, skill complementarity enhances heterophily in the formation of collaboration networks, where people prefer to forge social ties with people who have professions different from their own. We construct a model to quantify the heterophily by assuming that individuals choose collaborators to maximize utility. Using a huge database of online societies, we find evidence of heterophily in collaboration networks. The results of model calibration confirm the presence of heterophily. Both empirical analysis and model calibration show that the heterophilous feature is persistent along the evolution of online societies. Furthermore, the degree of skill complementarity is positively correlated with their production output. Our work sheds new light on the scientific research utility of virtual worlds for studying human behaviors in complex socioeconomic systems. PMID:26743687

Electrostatic forces for personnel restraints

NASA Technical Reports Server (NTRS)

Ashby, N.; Ciciora, J.; Gardner, R.; Porter, K.

1977-01-01

The feasibility of utilizing electrostatic forces for personnel retention devices on exterior spacecraft surfaces was analyzed. The investigation covered: (1) determination of the state of the art; (2) analysis of potential adhesion surfaces; (3) safety considerations for personnel; (4) electromagnetic force field determination and its effect on spacecraft instrumentation; and (5) proposed advances to current technology based on documentation review, analyses, and experimental test data.

Mate choice for major histocompatibility complex complementarity in a strictly monogamous bird, the grey partridge (Perdix perdix).

PubMed

Rymešová, Dana; Králová, Tereza; Promerová, Marta; Bryja, Josef; Tomášek, Oldřich; Svobodová, Jana; Šmilauer, Petr; Šálek, Miroslav; Albrecht, Tomáš

2017-01-01

Sexual selection has been hypothesised as favouring mate choice resulting in production of viable offspring with genotypes providing high pathogen resistance. Specific pathogen recognition is mediated by genes of the major histocompatibility complex (MHC) encoding proteins fundamental for adaptive immune response in jawed vertebrates. MHC genes may also play a role in odour-based individual recognition and mate choice, aimed at avoiding inbreeding. MHC genes are known to be involved in mate choice in a number of species, with 'good genes' (absolute criteria) and 'complementary genes' (self-referential criteria) being used to explain MHC-based mating. Here, we focus on the effect of morphological traits and variation and genetic similarity between individuals in MHC class IIB (MHCIIB) exon 2 on mating in a free-living population of a monogamous bird, the grey partridge. We found no evidence for absolute mate choice criteria as regards grey partridge MHCIIB genotypes, i.e., number and occurrence of amino acid variants, though red chroma of the spot behind eyes was positively associated with male pairing success. On the other hand, mate choice at MHCIIB was based on relative criteria as females preferentially paired with more dissimilar males having a lower number of shared amino acid variants. This observation supports the 'inbreeding avoidance' and 'complementary genes' hypotheses. Our study provides one of the first pieces of evidence for MHC-based mate choice for genetic complementarity in a strictly monogamous bird. The statistical approach employed can be recommended for testing mating preferences in cases where availability of potential mates (recorded with an appropriate method such as radio-tracking) shows considerable temporal variation. Additional genetic analyses using neutral markers may detect whether MHC-based mate choice for complementarity emerges as a by-product of general inbreeding avoidance in grey partridges.

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

Hart, William E.; Siirola, John Daniel

We describe new capabilities for modeling MPEC problems within the Pyomo modeling software. These capabilities include new modeling components that represent complementar- ity conditions, modeling transformations for re-expressing models with complementarity con- ditions in other forms, and meta-solvers that apply transformations and numeric optimization solvers to optimize MPEC problems. We illustrate the breadth of Pyomo's modeling capabil- ities for MPEC problems, and we describe how Pyomo's meta-solvers can perform local and global optimization of MPEC problems.

Low energy electron catalyst: the electronic origin of catalytic strategies.

PubMed

Davis, Daly; Sajeev, Y

2016-10-12

Using a low energy electron (LEE) as a catalyst, the electronic origin of the catalytic strategies corresponding to substrate selectivity, reaction specificity and reaction rate enhancement is investigated for a reversible unimolecular elementary reaction. An electronic energy complementarity between the catalyst and the substrate molecule is the origin of substrate selectivity and reaction specificity. The electronic energy complementarity is induced by tuning the electronic energy of the catalyst. The energy complementarity maximizes the binding forces between the catalyst and the molecule. Consequently, a new electronically metastable high-energy reactant state and a corresponding new low barrier reaction path are resonantly created for a specific reaction of the substrate through the formation of a catalyst-substrate transient adduct. The LEE catalysis also reveals a fundamental structure-energy correspondence in the formation of the catalyst-substrate transient adduct. Since the energy complementarities corresponding to the substrate molecules of the forward and the backward steps of the reversible reactions are not the same due to their structural differences, the LEE catalyst exhibits a unique one-way catalytic strategy, i.e., the LEE catalyst favors the reversible reaction more effectively in one direction. A characteristic stronger binding of the catalyst to the transition state of the reaction than in the initial reactant state and the final product state is the molecular origin of barrier lowering.

Status of Electrostatic Accelerometer Development for Gravity Recovery and Climate Experiment Follow-on Mission (GRACE FO)

NASA Astrophysics Data System (ADS)

Lebat, V.; Boulanger, D.; Christophe, B.; Foulon, B.; Liorzou, F.; Perrot, E.; Huynh, P. A.

2014-12-01

The GRACE FO mission, led by the JPL (Jet Propulsion Laboratory), is an Earth-orbiting gravity mission, continuation of the GRACE mission, which will produce an accurate model of the Earth's gravity field variation providing global climatic data during five years at least. The mission involves two satellites in a loosely controlled tandem formation, with a micro-wave link measuring the inter-satellites distance variation. Earth's mass distribution non-uniformities cause variations of the inter-satellite distance. This variation is measured to recover gravity, after subtracting the non-gravitational contributors, as the residual drag. ONERA (the French Aerospace Lab) is developing, manufacturing and testing electrostatic accelerometers measuring this residual drag applied on the satellites. The accelerometer is composed of two main parts: the Sensor Unit (including the Sensor Unit Mechanics - SUM - and the Front-End Electronic Unit - FEEU) and the Interface Control Unit - ICU. In the Accelerometer Core, located in the Sensor Unit Mechanics, the proof mass is levitated and maintained at the center of an electrode cage by electrostatic forces. Thus, any drag acceleration applied on the satellite involves a variation on the servo-controlled electrostatic suspension of the mass. The voltage on the electrodes providing this electrostatic force is the measurement output of the accelerometer. The impact of the accelerometer defaults (geometry, electronic and parasitic forces) leads to bias, misalignment and scale factor error, non-linearity and noise. Some of these accelerometer defaults are characterized by tests with micro-gravity pendulum bench on ground and with drops in ZARM catapult. The Preliminary Design Review was achieved successfully on November 2013. The Engineering Model (EM) was integrated successfully and is under test, with ground levitation, drops, Electromagnetic Compatibility and thermal vacuum. The complete EM tests will be achieved on October 2014. The Critical Design Review is scheduled at the end of September 2014, and the integration of the first Flight Model will begin on October 2014. The results of the Engineering Model tests and the status of the Flight Models will be presented.

SRM propellant, friction/ESD testing

NASA Technical Reports Server (NTRS)

Campbell, L. A.

1989-01-01

Following the Pershing 2 incident in 1985 and the Peacekeeper ignition during core removal in 1987, it was found that propellant can be much more sensitive to Electrostatic Discharges (ESD) than ever before realized. As a result of the Peacekeeper motor near miss incident, a friction machine was designed and fabricated, and used to determine friction hazards during core removal. Friction testing with and electrical charge being applied across the friction plates resulted in propellant ignitions at low friction pressures and extremely low ESD levels. The objective of this test series was to determine the sensitivity of solid rocket propellant to combined friction pressure and electrostatic stimuli and to compare the sensitivity of the SRM propellant to Peacekeeper propellant. The tests are fully discussed, summarized and conclusions drawn.

Electrostatic Similarity Analysis of Human β-Defensin Binding in the Melanocortin System

PubMed Central

Nix, Matthew A.; Kaelin, Christopher B.; Palomino, Rafael; Miller, Jillian L.; Barsh, Gregory S.; Millhauser, Glenn L.

2015-01-01

Summary The β-defensins are a class of small cationic proteins that serve as components of numerous systems in vertebrate biology, including the immune and melanocortin systems. Human β-defensin 3 (HBD3), which is produced in the skin, has been found to bind to melanocortin receptors 1 and 4 through complementary electrostatics, a unique mechanism of ligand-receptor interaction. This finding indicates that electrostatics alone, and not specific amino acid contact points, could be sufficient for function in this ligand-receptor system, and further suggests that other small peptide ligands could interact with these receptors in a similar fashion. Here, we conducted molecular-similarity analyses and functional studies of additional members of the human β-defensin family, examining their potential as ligands of melanocortin-1 receptor, through selection based on their electrostatic similarity to HBD3. Using Poisson-Boltzmann electrostatic calculations and molecular-similarity analysis, we identified members of the human β-defensin family that are both similar and dissimilar to HBD3 in terms of electrostatic potential. Synthesis and functional testing of a subset of these β-defensins showed that peptides with an HBD3-like electrostatic character bound to melanocortin receptors with high affinity, whereas those that were anticorrelated to HBD3 showed no binding affinity. These findings expand on the central role of electrostatics in the control of this ligand-receptor system and further demonstrate the utility of employing molecular-similarity analysis. Additionally, we identified several new potential ligands of melanocortin-1 receptor, which may have implications for our understanding of the role defensins play in melanocortin physiology. PMID:26536271

Limits of applicability of the quasilinear approximation to the electrostatic wave-plasma interaction

NASA Astrophysics Data System (ADS)

Zacharegkas, Georgios; Isliker, Heinz; Vlahos, Loukas

2016-11-01

The limitation of the Quasilinear Theory (QLT) to describe the diffusion of electrons and ions in velocity space when interacting with a spectrum of large amplitude electrostatic Langmuir, Upper and Lower hybrid waves, is analyzed. We analytically and numerically estimate the threshold for the amplitude of the waves above which the QLT breaks down, using a test particle code. The evolution of the velocity distribution, the velocity-space diffusion coefficients, the driven current, and the heating of the particles are investigated, for the interaction with small and large amplitude electrostatic waves, that is, in both regimes, where QLT is valid and where it clearly breaks down.

Epithelial Microvilli Establish an Electrostatic Barrier to Microbial Adhesion

PubMed Central

Bennett, Kaila M.; Walker, Sharon L.

2014-01-01

Microvilli are membrane extensions on the apical surface of polarized epithelia, such as intestinal enterocytes and tubule and duct epithelia. One notable exception in mucosal epithelia is M cells, which are specialized for capturing luminal microbial particles; M cells display a unique apical membrane lacking microvilli. Based on studies of M cell uptake under different ionic conditions, we hypothesized that microvilli may augment the mucosal barrier by providing an increased surface charge density from the increased membrane surface and associated glycoproteins. Thus, electrostatic charges may repel microbes from epithelial cells bearing microvilli, while M cells are more susceptible to microbial adhesion. To test the role of microvilli in bacterial adhesion and uptake, we developed polarized intestinal epithelial cells with reduced microvilli (“microvillus-minus,” or MVM) but retaining normal tight junctions. When tested for interactions with microbial particles in suspension, MVM cells showed greatly enhanced adhesion and uptake of particles compared to microvillus-positive cells. This preference showed a linear relationship to bacterial surface charge, suggesting that microvilli resist binding of microbes by using electrostatic repulsion. Moreover, this predicts that pathogen modification of electrostatic forces may contribute directly to virulence. Accordingly, the effacement effector protein Tir from enterohemorrhagic Escherichia coli O157:H7 expressed in epithelial cells induced a loss of microvilli with consequent enhanced microbial binding. These results provide a new context for microvillus function in the host-pathogen relationship, based on electrostatic interactions. PMID:24778113

High-voltage terminal test of a test stand for a 1-MV electrostatic accelerator

NASA Astrophysics Data System (ADS)

Park, Sae-Hoon; Kim, Yu-Seok

2015-10-01

The Korea Multipurpose Accelerator Complex has been developing a 300-kV test stand for a 1-MV electrostatic accelerator ion source. The ion source and accelerating tube will be installed in a high-pressure vessel. The ion source in the high-pressure vessel is required to have a high reliability. The test stand has been proposed and developed to confirm the stable operating conditions of the ion source. The ion source will be tested at the test stand to verify the long-time operating conditions. The test stand comprises a 300-kV high-voltage terminal, a battery for the ion-source power, a 60-Hz inverter, 200-MHz radio-frequency power supply, a 5-kV extraction power supply, a 300-kV accelerating tube, and a vacuum system. The results of the 300-kV high-voltage terminal tests are presented in this paper.

Charge-Induced Force Noise on Free-Falling Test Masses: Results from LISA Pathfinder

NASA Astrophysics Data System (ADS)

Armano, M.; Audley, H.; Auger, G.; Baird, J. T.; Binetruy, P.; Born, M.; Bortoluzzi, D.; Brandt, N.; Bursi, A.; Caleno, M.; Cavalleri, A.; Cesarini, A.; Cruise, M.; Danzmann, K.; de Deus Silva, M.; Diepholz, I.; Dolesi, R.; Dunbar, N.; Ferraioli, L.; Ferroni, V.; Fitzsimons, E. D.; Flatscher, R.; Freschi, M.; Gallegos, J.; García Marirrodriga, C.; Gerndt, R.; Gesa, L.; Gibert, F.; Giardini, D.; Giusteri, R.; Grimani, C.; Grzymisch, J.; Harrison, I.; Heinzel, G.; Hewitson, M.; Hollington, D.; Hueller, M.; Huesler, J.; Inchauspé, H.; Jennrich, O.; Jetzer, P.; Johlander, B.; Karnesis, N.; Kaune, B.; Killow, C. J.; Korsakova, N.; Lloro, I.; Liu, L.; López-Zaragoza, J. P.; Maarschalkerweerd, R.; Madden, S.; Mance, D.; Martín, V.; Martin-Polo, L.; Martino, J.; Martin-Porqueras, F.; Mateos, I.; McNamara, P. W.; Mendes, J.; Mendes, L.; Moroni, A.; Nofrarias, M.; Paczkowski, S.; Perreur-Lloyd, M.; Petiteau, A.; Pivato, P.; Plagnol, E.; Prat, P.; Ragnit, U.; Ramos-Castro, J.; Reiche, J.; Romera Perez, J. A.; Robertson, D. I.; Rozemeijer, H.; Rivas, F.; Russano, G.; Sarra, P.; Schleicher, A.; Slutsky, J.; Sopuerta, C.; Sumner, T. J.; Texier, D.; Thorpe, J. I.; Trenkel, C.; Vetrugno, D.; Vitale, S.; Wanner, G.; Ward, H.; Wass, P. J.; Wealthy, D.; Weber, W. J.; Wittchen, A.; Zanoni, C.; Ziegler, T.; Zweifel, P.; LISA Pathfinder Collaboration

2017-04-01

We report on electrostatic measurements made on board the European Space Agency mission LISA Pathfinder. Detailed measurements of the charge-induced electrostatic forces exerted on free-falling test masses (TMs) inside the capacitive gravitational reference sensor are the first made in a relevant environment for a space-based gravitational wave detector. Employing a combination of charge control and electric-field compensation, we show that the level of charge-induced acceleration noise on a single TM can be maintained at a level close to 1.0 fm s-2 Hz-1 /2 across the 0.1-100 mHz frequency band that is crucial to an observatory such as the Laser Interferometer Space Antenna (LISA). Using dedicated measurements that detect these effects in the differential acceleration between the two test masses, we resolve the stochastic nature of the TM charge buildup due to interplanetary cosmic rays and the TM charge-to-force coupling through stray electric fields in the sensor. All our measurements are in good agreement with predictions based on a relatively simple electrostatic model of the LISA Pathfinder instrument.

Charge-Induced Force Noise on Free-Falling Test Masses: Results from LISA Pathfinder.

PubMed

Armano, M; Audley, H; Auger, G; Baird, J T; Binetruy, P; Born, M; Bortoluzzi, D; Brandt, N; Bursi, A; Caleno, M; Cavalleri, A; Cesarini, A; Cruise, M; Danzmann, K; de Deus Silva, M; Diepholz, I; Dolesi, R; Dunbar, N; Ferraioli, L; Ferroni, V; Fitzsimons, E D; Flatscher, R; Freschi, M; Gallegos, J; García Marirrodriga, C; Gerndt, R; Gesa, L; Gibert, F; Giardini, D; Giusteri, R; Grimani, C; Grzymisch, J; Harrison, I; Heinzel, G; Hewitson, M; Hollington, D; Hueller, M; Huesler, J; Inchauspé, H; Jennrich, O; Jetzer, P; Johlander, B; Karnesis, N; Kaune, B; Killow, C J; Korsakova, N; Lloro, I; Liu, L; López-Zaragoza, J P; Maarschalkerweerd, R; Madden, S; Mance, D; Martín, V; Martin-Polo, L; Martino, J; Martin-Porqueras, F; Mateos, I; McNamara, P W; Mendes, J; Mendes, L; Moroni, A; Nofrarias, M; Paczkowski, S; Perreur-Lloyd, M; Petiteau, A; Pivato, P; Plagnol, E; Prat, P; Ragnit, U; Ramos-Castro, J; Reiche, J; Romera Perez, J A; Robertson, D I; Rozemeijer, H; Rivas, F; Russano, G; Sarra, P; Schleicher, A; Slutsky, J; Sopuerta, C; Sumner, T J; Texier, D; Thorpe, J I; Trenkel, C; Vetrugno, D; Vitale, S; Wanner, G; Ward, H; Wass, P J; Wealthy, D; Weber, W J; Wittchen, A; Zanoni, C; Ziegler, T; Zweifel, P

2017-04-28

We report on electrostatic measurements made on board the European Space Agency mission LISA Pathfinder. Detailed measurements of the charge-induced electrostatic forces exerted on free-falling test masses (TMs) inside the capacitive gravitational reference sensor are the first made in a relevant environment for a space-based gravitational wave detector. Employing a combination of charge control and electric-field compensation, we show that the level of charge-induced acceleration noise on a single TM can be maintained at a level close to 1.0  fm s^{-2} Hz^{-1/2} across the 0.1-100 mHz frequency band that is crucial to an observatory such as the Laser Interferometer Space Antenna (LISA). Using dedicated measurements that detect these effects in the differential acceleration between the two test masses, we resolve the stochastic nature of the TM charge buildup due to interplanetary cosmic rays and the TM charge-to-force coupling through stray electric fields in the sensor. All our measurements are in good agreement with predictions based on a relatively simple electrostatic model of the LISA Pathfinder instrument.

Prospective Teachers' Difficulties in Interpreting Elementary Phenomena of Electrostatic Interactions: Indicators of the Status of Their Intuitive Ideas

ERIC Educational Resources Information Center

Criado, Ana Maria; Garcia-Carmona, Antonio

2010-01-01

Student teachers were tested before and after a teaching unit on electrostatic interactions in an attempt to consider their intuitive ideas and concept development. A study was made of students' explanations of basic interactions: those between two charged bodies, and those between a charged body and a neutral body. Two indicators of the cognitive…

Water 16-mers and hexamers: assessment of the three-body and electrostatically embedded many-body approximations of the correlation energy or the nonlocal energy as ways to include cooperative effects.

PubMed

Qi, Helena W; Leverentz, Hannah R; Truhlar, Donald G

2013-05-30

This work presents a new fragment method, the electrostatically embedded many-body expansion of the nonlocal energy (EE-MB-NE), and shows that it, along with the previously proposed electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), produces accurate results for large systems at the level of CCSD(T) coupled cluster theory. We primarily study water 16-mers, but we also test the EE-MB-CE method on water hexamers. We analyze the distributions of two-body and three-body terms to show why the many-body expansion of the electrostatically embedded correlation energy converges faster than the many-body expansion of the entire electrostatically embedded interaction potential. The average magnitude of the dimer contributions to the pairwise additive (PA) term of the correlation energy (which neglects cooperative effects) is only one-half of that of the average dimer contribution to the PA term of the expansion of the total energy; this explains why the mean unsigned error (MUE) of the EE-PA-CE approximation is only one-half of that of the EE-PA approximation. Similarly, the average magnitude of the trimer contributions to the three-body (3B) term of the EE-3B-CE approximation is only one-fourth of that of the EE-3B approximation, and the MUE of the EE-3B-CE approximation is one-fourth that of the EE-3B approximation. Finally, we test the efficacy of two- and three-body density functional corrections. One such density functional correction method, the new EE-PA-NE method, with the OLYP or the OHLYP density functional (where the OHLYP functional is the OptX exchange functional combined with the LYP correlation functional multiplied by 0.5), has the best performance-to-price ratio of any method whose computational cost scales as the third power of the number of monomers and is competitive in accuracy in the tests presented here with even the electrostatically embedded three-body approximation.

An improved error bound for linear complementarity problems for B-matrices.

PubMed

Gao, Lei; Li, Chaoqian

2017-01-01

A new error bound for the linear complementarity problem when the matrix involved is a B -matrix is presented, which improves the corresponding result in (Li et al. in Electron. J. Linear Algebra 31(1):476-484, 2016). In addition some sufficient conditions such that the new bound is sharper than that in (García-Esnaola and Peña in Appl. Math. Lett. 22(7):1071-1075, 2009) are provided.

Correlation complementarity yields bell monogamy relations.

PubMed

Kurzyński, P; Paterek, T; Ramanathan, R; Laskowski, W; Kaszlikowski, D

2011-05-06

We present a method to derive Bell monogamy relations by connecting the complementarity principle with quantum nonlocality. The resulting monogamy relations are stronger than those obtained from the no-signaling principle alone. In many cases, they yield tight quantum bounds on the amount of violation of single and multiple qubit correlation Bell inequalities. In contrast with the two-qubit case, a rich structure of possible violation patterns is shown to exist in the multipartite scenario.

Reviving Complementarity: John Wheeler's efforts to apply complementarity toward a quantum description of gravitation

NASA Astrophysics Data System (ADS)

Halpern, Paul

2017-01-01

In 1978, John Wheeler proposed the delayed-choice thought experiment as a generalization of the classic double slit experiment intended to help elucidate the nature of decision making in quantum measurement. In particular, he wished to illustrate how a decision made after a quantum system was prepared might retrospectively affect the outcome. He extended his methods to the universe itself, raising the question of whether the universe is a ``self-excited circuit'' in which scientific measurements in the present affect the quantum dynamics in the past. In this talk we'll show how Wheeler's approach revived the notion of Bohr's complementarity, which had by then faded from the prevailing discourse of quantum measurement theory. Wheeler's advocacy reflected, in part, his wish to eliminate the divide in quantum theory between measurer and what was being measured, bringing greater consistency to the ideas of Bohr, a mentor whom he deeply respected.

Bohrian Complementarity in the Light of Kantian Teleology

NASA Astrophysics Data System (ADS)

Pringe, Hernán

2014-03-01

The Kantian influences on Bohr's thought and the relationship between the perspective of complementarity in physics and in biology seem at first sight completely unrelated issues. However, the goal of this work is to show their intimate connection. We shall see that Bohr's views on biology shed light on Kantian elements of his thought, which enables a better understanding of his complementary interpretation of quantum theory. For this purpose, we shall begin by discussing Bohr's views on the analogies concerning the epistemological situation in biology and in physics. Later, we shall compare the Bohrian and the Kantian approaches to the science of life in order to show their close connection. On this basis, we shall finally turn to the issue of complementarity in quantum theory in order to assess what we can learn about the epistemological problems in the quantum realm from a consideration of Kant's views on teleology.

Bohr, Heisenberg and the divergent views of complementarity

NASA Astrophysics Data System (ADS)

Camilleri, Kristian

The fractious discussions between Bohr and Heisenberg in Copenhagen in 1927 have been the subject of much historical scholarship. However, little attention has been given to Heisenberg's understanding of the notion of complementary space-time and causal descriptions, which was presented for the first time in Bohr's lecture at the 1927 Como conference. In this paper, I argue that Heisenberg's own interpretation of this notion differed substantially from Bohr's. Whereas Bohr had intended this form of complementarity to entail a choice between a space-time description of the electron in an atom, and defining the energy of a stationary state, Heisenberg interpreted the 'causal' description in terms of ψ -function in configuration space. In disentangling the two views of complementarity, this paper sheds new light on the hidden philosophical disagreements between the proponents of these two founders of the so-called 'Copenhagen interpretation' of quantum mechanics.

Electrostatic contribution to the binding stability of protein-protein complexes.

PubMed

Dong, Feng; Zhou, Huan-Xiang

2006-10-01

To investigate roles of electrostatic interactions in protein binding stability, electrostatic calculations were carried out on a set of 64 mutations over six protein-protein complexes. These mutations alter polar interactions across the interface and were selected for putative dominance of electrostatic contributions to the binding stability. Three protocols of implementing the Poisson-Boltzmann model were tested. In vdW4 the dielectric boundary between the protein low dielectric and the solvent high dielectric is defined as the protein van der Waals surface and the protein dielectric constant is set to 4. In SE4 and SE20, the dielectric boundary is defined as the surface of the protein interior inaccessible to a 1.4-A solvent probe, and the protein dielectric constant is set to 4 and 20, respectively. In line with earlier studies on the barnase-barstar complex, the vdW4 results on the large set of mutations showed the closest agreement with experimental data. The agreement between vdW4 and experiment supports the contention of dominant electrostatic contributions for the mutations, but their differences also suggest van der Waals and hydrophobic contributions. The results presented here will serve as a guide for future refinement in electrostatic calculation and inclusion of nonelectrostatic effects. Proteins 2006. (c) 2006 Wiley-Liss, Inc.

Biochemical enhancement of transdermal delivery with magainin peptide: modification of electrostatic interactions by changing pH.

PubMed

Kim, Yeu-Chun; Late, Sameer; Banga, Ajay K; Ludovice, Peter J; Prausnitz, Mark R

2008-10-01

Magainin is a naturally occurring, pore-forming peptide that has recently been shown to increase skin permeability. This study tested the hypothesis that electrostatic forces between magainin peptides and drugs mediate drug transport across the skin. Electrostatic interaction between positively charged magainin and a negatively charged model drug, fluorescein, was attractive at pH 7.4 and resulted in a 35-fold increase in delivery across human epidermis in vitro when formulated with 2% N-lauroylsarcosine in 50% ethanol. Increasing to pH 10 or 11 largely neutralized magainin's charge, which eliminated enhancement due to magainin. Shielding electrostatic interactions with 1-2M NaCl solution similarly eliminated enhancement. Showing the opposite dependence on pH, electrostatic interaction between magainin and a positively charged anti-nausea drug, granisetron, was largely neutralized at pH 10 and resulted in a 92-fold increase in transdermal delivery. Decreasing to pH 5 increased magainin's positive charge, which repelled granisetron and progressively decreased transdermal flux. Circular dichroism analysis, multi-photon microscopy, and FTIR spectroscopy showed no significant pH effect on magainin secondary structure, magainin deposition in stratum corneum, or stratum corneum lipid order, respectively. We conclude that magainin increases transdermal delivery by a mechanism involving electrostatic interaction between magainin peptides and drugs.

Biochemical enhancement of transdermal delivery with magainin peptide: Modification of electrostatic interactions by changing pH

PubMed Central

Kim, Yeu-Chun; Late, Sameer; Banga, Ajay K.; Ludovice, Peter J.; Prausnitz, Mark R.

2008-01-01

Magainin is a naturally occurring, pore-forming peptide that has recently been shown to increase skin permeability. This study tested the hypothesis that electrostatic forces between magainin peptides and drugs mediate drug transport across the skin. Electrostatic interaction between positively charged magainin and a negatively charged model drug, fluorescein, was attractive at pH 7.4 and resulted in a 35 fold increase in delivery across human epidermis in vitro when formulated with 2% N-lauroylsarcosine in 50% ethanol. Increasing to pH 10 or 11 largely neutralized magainin’s charge, which eliminated enhancement due to magainin. Shielding electrostatic interactions with 1–2 M NaCl solution similarly eliminated enhancement. Showing the opposite dependence on pH, electrostatic interaction between magainin and a positively charged anti-nausea drug, granisetron, was largely neutralized at pH 10 and resulted in a 59 fold increase in transdermal delivery. Decreasing to pH 5 increased magainin’s positive charge, which repelled granisetron and progressively decreased transdermal flux. Circular dichroism analysis, multi-photon microscopy, and FTIR spectroscopy showed no significant pH effect on magainin secondary structure, magainin deposition in stratum corneum, or stratum corneum lipid order, respectively. We conclude that magainin increases transdermal delivery by a mechanism involving electrostatic interaction between magainin peptides and drugs. PMID:18601987

Results Of Insulation Resistance Between Solar Cell String Gaps Without RTV Adhesive Grout After Electrostatic Discharge Tests With Cover Glass Flashover

NASA Astrophysics Data System (ADS)

Hoang, Bao; Wong, Frankie; Redick, Tod; Masui, Hirokazu; Endo, Taishi; Toyoda, Kazuhiro; Cho, Mengu

2011-10-01

A series of electrostatic discharge (ESD) tests was performed on solar array test coupons consisting of Advanced Triple Junction InGaP2/InGaAs/Ge solar cells. The motivation for these tests was to evaluate the effects of ESD on solar array design without room temperature vulcanized (RTV) adhesive grout between the string-to-string parallel gaps. To investigate the threshold of permanently sustained secondary arcs, various combinations of gap width, load voltage and string current were tested in a vacuum chamber equipped with an electron beam gun. This ESD test program included the ESD test circuit with simulated panel coverglass flashover. Although ESD events did not result in permanent sustained arcs, the insulation resistance between strings was found to decrease as the number of secondary arcs accumulated in the gap.

Simulation and measurement of the electrostatic beam kicker in the low-energy undulator test line.

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

Waldschmidt, G. J.

1998-10-27

An electrostatic kicker has been constructed for use in the Low-Energy Undulator Test Line (LEUTL) at the Advanced Photon Source (APS). The function of the kicker is to limit the amount of beam current to be accelerated by the APS linac. Two electrodes within the kicker create an electric field that adjusts the trajectory of the beam. This paper will explore the static fields that are set up between the offset electrode plates and determine the reaction of the beam to this field. The kicker was numerically simulated using the electromagnetic solver package MAFIA [1].

Data appendix: F-number=1.0 EMR with a flexible back electrode

NASA Technical Reports Server (NTRS)

Mihora, D. J.

1984-01-01

A 12.5 micron Tedlar low f-number electrostatic membrane reflector was tested. The antenna reflector was designed to achieve a spherical reflector surface with a focal length to diameter ratio f(sub n) of one and a potential accuracy of 1.0 over its 4.88 m diameter. The configuration required the cutting and joining of twelve pie-shaped panels to form the reflector surface. Electrostatic forces are used to tension this preformed membrane reflector. The test data is spare-only three sets of measurements were taken due to lack of funds.

Determination of Ion Atmosphere Effects on the Nucleic Acid Electrostatic Potential and Ligand Association Using AH+·C Wobble Formation in Double-Stranded DNA

PubMed Central

2017-01-01

The high charge density of nucleic acids and resulting ion atmosphere profoundly influence the conformational landscape of RNA and DNA and their association with small molecules and proteins. Electrostatic theories have been applied to quantitatively model the electrostatic potential surrounding nucleic acids and the effects of the surrounding ion atmosphere, but experimental measures of the potential and tests of these models have often been complicated by conformational changes and multisite binding equilibria, among other factors. We sought a simple system to further test the basic predictions from electrostatics theory and to measure the energetic consequences of the nucleic acid electrostatic field. We turned to a DNA system developed by Bevilacqua and co-workers that involves a proton as a ligand whose binding is accompanied by formation of an internal AH+·C wobble pair [Siegfried, N. A., et al. Biochemistry, 2010, 49, 3225]. Consistent with predictions from polyelectrolyte models, we observed logarithmic dependences of proton affinity versus salt concentration of −0.96 ± 0.03 and −0.52 ± 0.01 with monovalent and divalent cations, respectively, and these results help clarify prior results that appeared to conflict with these fundamental models. Strikingly, quantitation of the ion atmosphere content indicates that divalent cations are preferentially lost over monovalent cations upon A·C protonation, providing experimental indication of the preferential localization of more highly charged cations to the inner shell of the ion atmosphere. The internal AH+·C wobble system further allowed us to parse energetic contributions and extract estimates for the electrostatic potential at the position of protonation. The results give a potential near the DNA surface at 20 mM Mg2+ that is much less substantial than at 20 mM K+ (−120 mV vs −210 mV). These values and difference are similar to predictions from theory, and the potential is substantially reduced at higher salt, also as predicted; however, even at 1 M K+ the potential remains substantial, counter to common assumptions. The A·C protonation module allows extraction of new properties of the ion atmosphere and provides an electrostatic meter that will allow local electrostatic potential and energetics to be measured within nucleic acids and their complexes with proteins. PMID:28489947

Electrostatic sensors for SPIDER experiment: Design, manufacture of prototypes, and first tests

NASA Astrophysics Data System (ADS)

Brombin, M.; Spolaore, M.; Serianni, G.; Barzon, A.; Franchin, L.; Pasqualotto, R.; Pomaro, N.; Schiesko, L.; Taliercio, C.; Trevisan, L.

2014-02-01

A system of electrostatic sensors has been designed for the SPIDER (Source for the production of Ions of Deuterium Extracted from RF plasma) experiment, prototype RF source of the ITER NBI (neutral beam injection). A prototype of the sensor system was manufactured and tested at the BATMAN (BAvarian Test MAchine for Negative ions) facility, where the plasma environment is similar to that of SPIDER. Different aspects concerning the mechanical manufacturing and the signal conditioning are presented, among them the RF compensation adopted to reduce the RF effects which could lead to overestimated values of the electron temperature. The first commissioning tests provided ion saturation current values in the range assumed for the design, so the deduced plasma density estimate is consistent with the expected values.

Electrostatic sensors for SPIDER experiment: design, manufacture of prototypes, and first tests.

PubMed

Brombin, M; Spolaore, M; Serianni, G; Barzon, A; Franchin, L; Pasqualotto, R; Pomaro, N; Schiesko, L; Taliercio, C; Trevisan, L

2014-02-01

A system of electrostatic sensors has been designed for the SPIDER (Source for the production of Ions of Deuterium Extracted from RF plasma) experiment, prototype RF source of the ITER NBI (neutral beam injection). A prototype of the sensor system was manufactured and tested at the BATMAN (BAvarian Test MAchine for Negative ions) facility, where the plasma environment is similar to that of SPIDER. Different aspects concerning the mechanical manufacturing and the signal conditioning are presented, among them the RF compensation adopted to reduce the RF effects which could lead to overestimated values of the electron temperature. The first commissioning tests provided ion saturation current values in the range assumed for the design, so the deduced plasma density estimate is consistent with the expected values.

Electrostatic sensors for SPIDER experiment: Design, manufacture of prototypes, and first tests

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

Brombin, M., E-mail: matteo.brombin@igi.cnr.it; Spolaore, M.; Serianni, G.

2014-02-15

A system of electrostatic sensors has been designed for the SPIDER (Source for the production of Ions of Deuterium Extracted from RF plasma) experiment, prototype RF source of the ITER NBI (neutral beam injection). A prototype of the sensor system was manufactured and tested at the BATMAN (BAvarian Test MAchine for Negative ions) facility, where the plasma environment is similar to that of SPIDER. Different aspects concerning the mechanical manufacturing and the signal conditioning are presented, among them the RF compensation adopted to reduce the RF effects which could lead to overestimated values of the electron temperature. The first commissioningmore » tests provided ion saturation current values in the range assumed for the design, so the deduced plasma density estimate is consistent with the expected values.« less

COMplementary Primer ASymmetric PCR (COMPAS-PCR) Applied to the Identification of Salmo salar, Salmo trutta and Their Hybrids

PubMed Central

2016-01-01

Avoiding complementarity between primers when designing a PCR assay constitutes a central rule strongly anchored in the mind of the molecular scientist. 3’-complementarity will extend the primers during PCR elongation using one another as template, consequently disabling further possible involvement in traditional target amplification. However, a 5’-complementarity will leave the primers unchanged during PCR cycles, albeit sequestered to one another, therefore also suppressing target amplification. We show that 5’-complementarity between primers may be exploited in a new PCR method called COMplementary-Primer-Asymmetric (COMPAS)-PCR, using asymmetric primer concentrations to achieve target PCR amplification. Moreover, such a design may paradoxically reduce spurious non-target amplification by actively sequestering the limiting primer. The general principles were demonstrated using 5S rDNA direct repeats as target sequences to design a species-specific assay for identifying Salmo salar and Salmo trutta using almost fully complementary primers overlapping the same target sequence. Specificity was enhanced by using 3’-penultimate point mutations and the assay was further developed to enable identification of S. salar x S. trutta hybrids by High Resolution Melt analysis in a 35 min one-tube assay. This small paradigm shift, using highly complementary primers for PCR, should help develop robust assays that previously would not be considered. PMID:27783658

Electrostatic dust transport and Apollo 17 LEAM experiment. [Lunar Ejecta And Meteorite

NASA Technical Reports Server (NTRS)

Rhee, J. W.; Berg, O. E.; Wolf, H.

1977-01-01

The Lunar Ejecta and Meteorite (LEAM) experiment has been in operation since December 1973 when it was deployed in the Taurus-Littrow region of the moon by the Apollo 17 crew. A specialized analysis based on more than twenty-two lunations of the impact data shows that all of the events recorded by the sensors during the terminator passages are essentially lunar surface microparticles carrying a high electrostatic charge. Charged lunar fines held in place by adhesive forces can be ejected into space if the electrostatic stress exceeds the adhesive strength. A simple laboratory test demonstrated that this soil transport can indeed take place at the lunar terminator and in the vicinity of it.

Computational modeling of electrostatic charge and fields produced by hypervelocity impact

DOE PAGES

Crawford, David A.

2015-05-19

Following prior experimental evidence of electrostatic charge separation, electric and magnetic fields produced by hypervelocity impact, we have developed a model of electrostatic charge separation based on plasma sheath theory and implemented it into the CTH shock physics code. Preliminary assessment of the model shows good qualitative and quantitative agreement between the model and prior experiments at least in the hypervelocity regime for the porous carbonate material tested. The model agrees with the scaling analysis of experimental data performed in the prior work, suggesting that electric charge separation and the resulting electric and magnetic fields can be a substantial effectmore » at larger scales, higher impact velocities, or both.« less

[Non-EC workers in Italy: an overview of the literature and an attempt to test various hypotheses].

PubMed

Strozza, S

1995-09-01

"The essay presents an overview of the interpretations offered in scientific literature about causes and effects of non-EC [European Community] immigrants' integration into the Italian labor market....The essay uses the aggregate data of [the] Labor Ministry integrated by local surveys to answer some questions...[concerning] the link between sex, Italian region, place of origin and sector of activity...and the complementarity or competition with [the] Italian labor force." (SUMMARY IN ENG AND FRE) excerpt

Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding

PubMed Central

Kreienkamp, Amelia B.; Liu, Lucy Y.; Minkara, Mona S.; Knepley, Matthew G.; Bardhan, Jaydeep P.; Radhakrishnan, Mala L.

2013-01-01

We analyze and suggest improvements to a recently developed approximate continuum-electrostatic model for proteins. The model, called BIBEE/I (boundary-integral based electrostatics estimation with interpolation), was able to estimate electrostatic solvation free energies to within a mean unsigned error of 4% on a test set of more than 600 proteins—a significant improvement over previous BIBEE models. In this work, we tested the BIBEE/I model for its capability to predict residue-by-residue interactions in protein–protein binding, using the widely studied model system of trypsin and bovine pancreatic trypsin inhibitor (BPTI). Finding that the BIBEE/I model performs surprisingly less well in this task than simpler BIBEE models, we seek to explain this behavior in terms of the models’ differing spectral approximations of the exact boundary-integral operator. Calculations of analytically solvable systems (spheres and tri-axial ellipsoids) suggest two possibilities for improvement. The first is a modified BIBEE/I approach that captures the asymptotic eigenvalue limit correctly, and the second involves the dipole and quadrupole modes for ellipsoidal approximations of protein geometries. Our analysis suggests that fast, rigorous approximate models derived from reduced-basis approximation of boundary-integral equations might reach unprecedented accuracy, if the dipole and quadrupole modes can be captured quickly for general shapes. PMID:24466561

Effective solutions for monitoring the electrostatic separation of metal and plastic granular waste from electric and electronic equipment.

PubMed

Senouci, Khouira; Medles, Karim; Dascalescu, Lucian

2013-02-01

The variability of the quantity and purity of the recovered materials is a serious drawback for the application of electrostatic separation technologies to the recycling of granular wastes. In a series of previous articles we have pointed out how capability and classic control chart concepts could be employed for better mastering the outcome of such processes. In the present work, the multiple exponentially weighted moving average (MEWMA) control chart is introduced and shown to be more effective than the Hotelling T2 chart for monitoring slow varying changes in the electrostatic separation of granular mixtures originating from electric and electronic equipment waste. The operation of the industrial process was simulated by using a laboratory roll-type electrostatic separator and granular samples resulting from shredded electric cable wastes. The 25 tests carried out during the observation phase enabled the calculation of the upper and lower control limits for the two control charts considered in the present study. The 11 additional tests that simulated the monitoring phase pointed out that the MEWMA chart is more effective than Hotelling's T(2) chart in detecting slow varying changes in the outcome of a process. As the reverse is true in the case of abrupt alterations of monitored process performances, simultaneous usage of the two control charts is strongly recommended. While this study focused on a specific electrostatic separation process, using the MEWMA chart together with the well known Hotelling's T(2) chart should be applicable to the statistical control of other complex processes in the field of waste processing.

Carbohydrate–Aromatic Interactions in Proteins

PubMed Central

2015-01-01

Protein–carbohydrate interactions play pivotal roles in health and disease. However, defining and manipulating these interactions has been hindered by an incomplete understanding of the underlying fundamental forces. To elucidate common and discriminating features in carbohydrate recognition, we have analyzed quantitatively X-ray crystal structures of proteins with noncovalently bound carbohydrates. Within the carbohydrate-binding pockets, aliphatic hydrophobic residues are disfavored, whereas aromatic side chains are enriched. The greatest preference is for tryptophan with an increased prevalence of 9-fold. Variations in the spatial orientation of amino acids around different monosaccharides indicate specific carbohydrate C–H bonds interact preferentially with aromatic residues. These preferences are consistent with the electronic properties of both the carbohydrate C–H bonds and the aromatic residues. Those carbohydrates that present patches of electropositive saccharide C–H bonds engage more often in CH−π interactions involving electron-rich aromatic partners. These electronic effects are also manifested when carbohydrate–aromatic interactions are monitored in solution: NMR analysis indicates that indole favorably binds to electron-poor C–H bonds of model carbohydrates, and a clear linear free energy relationships with substituted indoles supports the importance of complementary electronic effects in driving protein–carbohydrate interactions. Together, our data indicate that electrostatic and electronic complementarity between carbohydrates and aromatic residues play key roles in driving protein–carbohydrate complexation. Moreover, these weak noncovalent interactions influence which saccharide residues bind to proteins, and how they are positioned within carbohydrate-binding sites. PMID:26561965

Molecular determinants of the interactions between proteins and ssDNA.

PubMed

Mishra, Garima; Levy, Yaakov

2015-04-21

ssDNA binding proteins (SSBs) protect ssDNA from chemical and enzymatic assault that can derail DNA processing machinery. Complexes between SSBs and ssDNA are often highly stable, but predicting their structures is challenging, mostly because of the inherent flexibility of ssDNA and the geometric and energetic complexity of the interfaces that it forms. Here, we report a newly developed coarse-grained model to predict the structure of SSB-ssDNA complexes. The model is successfully applied to predict the binding modes of six SSBs with ssDNA strands of lengths of 6-65 nt. In addition to charge-charge interactions (which are often central to governing protein interactions with nucleic acids by means of electrostatic complementarity), an essential energetic term to predict SSB-ssDNA complexes is the interactions between aromatic residues and DNA bases. For some systems, flexibility is required from not only the ssDNA but also, the SSB to allow it to undergo conformational changes and the penetration of the ssDNA into its binding pocket. The association mechanisms can be quite varied, and in several cases, they involve the ssDNA sliding along the protein surface. The binding mechanism suggests that coarse-grained models are appropriate to study the motion of SSBs along ssDNA, which is expected to be central to the function carried out by the SSBs.

Carbohydrate-Aromatic Interactions in Proteins.

PubMed

Hudson, Kieran L; Bartlett, Gail J; Diehl, Roger C; Agirre, Jon; Gallagher, Timothy; Kiessling, Laura L; Woolfson, Derek N

2015-12-09

Protein-carbohydrate interactions play pivotal roles in health and disease. However, defining and manipulating these interactions has been hindered by an incomplete understanding of the underlying fundamental forces. To elucidate common and discriminating features in carbohydrate recognition, we have analyzed quantitatively X-ray crystal structures of proteins with noncovalently bound carbohydrates. Within the carbohydrate-binding pockets, aliphatic hydrophobic residues are disfavored, whereas aromatic side chains are enriched. The greatest preference is for tryptophan with an increased prevalence of 9-fold. Variations in the spatial orientation of amino acids around different monosaccharides indicate specific carbohydrate C-H bonds interact preferentially with aromatic residues. These preferences are consistent with the electronic properties of both the carbohydrate C-H bonds and the aromatic residues. Those carbohydrates that present patches of electropositive saccharide C-H bonds engage more often in CH-π interactions involving electron-rich aromatic partners. These electronic effects are also manifested when carbohydrate-aromatic interactions are monitored in solution: NMR analysis indicates that indole favorably binds to electron-poor C-H bonds of model carbohydrates, and a clear linear free energy relationships with substituted indoles supports the importance of complementary electronic effects in driving protein-carbohydrate interactions. Together, our data indicate that electrostatic and electronic complementarity between carbohydrates and aromatic residues play key roles in driving protein-carbohydrate complexation. Moreover, these weak noncovalent interactions influence which saccharide residues bind to proteins, and how they are positioned within carbohydrate-binding sites.

Selection for niche differentiation in plant communities increases biodiversity effects.

PubMed

Zuppinger-Dingley, Debra; Schmid, Bernhard; Petermann, Jana S; Yadav, Varuna; De Deyn, Gerlinde B; Flynn, Dan F B

2014-11-06

In experimental plant communities, relationships between biodiversity and ecosystem functioning have been found to strengthen over time, a fact often attributed to increased resource complementarity between species in mixtures and negative plant-soil feedbacks in monocultures. Here we show that selection for niche differentiation between species can drive this increasing biodiversity effect. Growing 12 grassland species in test monocultures and mixtures, we found character displacement between species and increased biodiversity effects when plants had been selected over 8 years in species mixtures rather than in monocultures. When grown in mixtures, relative differences in height and specific leaf area between plant species selected in mixtures (mixture types) were greater than between species selected in monocultures (monoculture types). Furthermore, net biodiversity and complementarity effects were greater in mixtures of mixture types than in mixtures of monoculture types. Our study demonstrates a novel mechanism for the increase in biodiversity effects: selection for increased niche differentiation through character displacement. Selection in diverse mixtures may therefore increase species coexistence and ecosystem functioning in natural communities and may also allow increased mixture yields in agriculture or forestry. However, loss of biodiversity and prolonged selection of crops in monoculture may compromise this potential for selection in the longer term.

Electrostatic Accelerometer for the Gravity Recovery and Climate Experiment Follow-On Mission (GRACE FO)

NASA Astrophysics Data System (ADS)

Perrot, Eddy; Boulanger, Damien; Christophe, Bruno; Foulon, Bernard; Liorzou, Françoise; Lebat, Vincent

2014-05-01

The GRACE FO mission, led by the JPL (Jet Propulsion Laboratory), is an Earth-orbiting gravity mission, continuation of the GRACE mission, that will produce an accurate model of the Earth's gravity field variation providing global climatic data during five year at least. The mission involves two satellites in a loosely controlled tandem formation, with a micro-wave link, and optionally a laser link, measuring the inter-satellites distance variation. Non-uniformities in the distribution of the Earth's mass cause the distance between the two satellites to vary. This variation is measured to recover gravity, after subtracting the non-gravitational contributors, as the residual drag. ONERA (the French Aerospace Lab) is developing, manufacturing and testing electrostatic accelerometers measuring this residual drag applied on the satellites. The accelerometer is composed of two main parts: the Sensor Unit (including the Sensor Unit Mechanics - SUM - and the Front-End Electronic Unit - FEEU) and the Interface Control Unit. In the Accelerometer Core, located in the Sensor Unit Mechanics, the proof mass is levitated and maintained in a center of an electrode cage by electrostatic forces. Thus, any drag acceleration applied on the satellite involves a variation on the servo-controlled electrostatic suspension of the mass. The voltage on the electrodes providing this electrostatic force is the measurement output of the accelerometer. The Preliminary Design Review was achieved successfully on November 2013. The FEEU Engineering Model is under test. Preliminary results on electronic unit will be compared with the expected performance. The integration of the SUM Engineering Model and the first ground levitation of the proof-mass will be presented. The impact of the accelerometer defaults (geometry, electronic and parasitic forces) leads to bias, misalignment and scale factor error, non-linearity and noise. Some of these accelerometer defaults are characterized by tests with micro-gravity pendulum bench and with drops in ZARM catapult. The post-processing needed to achieve the performance, in particular with regards to the temperature stability, will be explained.

Compositional Analysis of Martian Soil: Synergism of APEX and MECA Experiments on MPS 2001

NASA Technical Reports Server (NTRS)

Arvidson, R.; Marshall, J.

1999-01-01

The APEX (ATHENA Precursor Experiment) payload for the Mars 2001 mission will analyze soil and dust with a multispectral panoramic imager and an emission spectrometer on a mast on the lander, a Moessbauer spectrometer on the lander robotic arm (RA), and APXS measurements on the Marie Curie rover. These analytical methods will provide data on elemental abundances and mineralogy. The MECA payload on the lander will apply microscopy, AFM, wet chemistry, adhesive substrates, and electrometry to determine the shape and size of particles in the soil and dust, the presence of toxic substances, and electrostatic, magnetic, and hardness qualities of particles. The two experiments will complement one another through several interactions: (1) The panoramic imager provides the geological setting in which both APEX and MECA samples are acquired, (2) The RA provides samples to MECA from the surface and subsurface and will permit APEX analytical tools access to materials below the immediate surface, (3) Comparisons can be made between elemental analyses of the Moessbauer, IR, APXS on APEX and the wet chemistry of MECA which will define trace elements (ionic species in solution) and soil redox potential and conductivity. (4) APEX bulk compositional measurements will place MECA trace measurements in context, and similarly, MECA microscopy will provide particle size data that may correlate with compositional differences determined by the APEX instruments. Additionally, lithic fragments viewed by the MECA microscope station should correlate with mineral/rock species inferred by APEX data, (5) If APEX instruments detect quartz for example, the scratch plates of the MECA microscope stage will define if a mineral of this hardness is registered during abrasion tests. This is by no means an exhaustive list of potential interactions, but it is clear that both the sheer number of analytical techniques and their complementarity should provide an analytically powerful capability for both planetary and HEDS communities.

Compositional Analysis of Martian Soil: Synergism of APEX and MECA Experiments on MPS 2001

NASA Technical Reports Server (NTRS)

Arvidson, R.; Marshall, J.

1999-01-01

The APEX (ATHENA Precursor Experiment) payload for the Mars 2001 mission will analyze soil and dust with a multispectral panoramic imager and an emission spectrometer on a mast on the lander, a Moessbauer spectrometer on the lander robotic arm (RA), and APXS measurements on the Marie Curie rover. These analytical methods will provide data on elemental abundances and mineralogy. The MECA payload on the lander will apply microscopy, AFM, wet chemistry, adhesive substrates, and electrometry to determine the shape and size of particles in the soil and dust, the presence of toxic substances, and electrostatic, magnetic, and hardness qualities of particles. The two experiments will complement one another through several interactions: (1) The panoramic imager provides the geological setting in which both APEX and MECA samples are acquired, (2) The RA provides samples to MECA from the surface and subsurface and will permit APEX analytical tools access to materials below the inunediate surface, (3) Comparisons can be made between elemental analyses of the Moessbauer, IR, APXS on APEX and the wet chemistry of MECA which will define trace elements (ionic species in solution) and soil redox potential and conductivity. (4) APEX bulk compositional measurements will place MECA trace measurements in context, and similarly, MECA microscopy will provide particle size data that may correlate with compositional differences determined by the APEX instruments. Additionally, lithic fragments viewed by the NMCA microscope station should correlate with mineral/rock species inferred by APEX data, (5) If APEX instruments detect quartz for example, the scratch plates of the N4ECA microscope stage will define if a mineral of this hardness is registered during abrasion tests. This is by no means an exhaustive list of potential interactions, but it is clear that both the sheer number of analytical techniques and their complementarity should provide an analytically powerful capability for both planetary and BEDS communities.

Hybrid ququart-encoded quantum cryptography protected by Kochen-Specker contextuality

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

Cabello, Adan; Department of Physics, Stockholm University, S-10691 Stockholm; D'Ambrosio, Vincenzo

2011-09-15

Quantum cryptographic protocols based on complementarity are not secure against attacks in which complementarity is imitated with classical resources. The Kochen-Specker (KS) theorem provides protection against these attacks, without requiring entanglement or spatially separated composite systems. We analyze the maximum tolerated noise to guarantee the security of a KS-protected cryptographic scheme against these attacks and describe a photonic realization of this scheme using hybrid ququarts defined by the polarization and orbital angular momentum of single photons.

Improving the treatment of coarse-grain electrostatics: CVCEL.

PubMed

Ceres, N; Lavery, R

2015-12-28

We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding.

Electrostatic effects in unfolded staphylococcal nuclease

PubMed Central

Fitzkee, Nicholas C.; García-Moreno E, Bertrand

2008-01-01

Structure-based calculations of pK a values and electrostatic free energies of proteins assume that electrostatic effects in the unfolded state are negligible. In light of experimental evidence showing that this assumption is invalid for many proteins, and with increasing awareness that the unfolded state is more structured and compact than previously thought, a detailed examination of electrostatic effects in unfolded proteins is warranted. Here we address this issue with structure-based calculations of electrostatic interactions in unfolded staphylococcal nuclease. The approach involves the generation of ensembles of structures representing the unfolded state, and calculation of Coulomb energies to Boltzmann weight the unfolded state ensembles. Four different structural models of the unfolded state were tested. Experimental proton binding data measured with a variant of nuclease that is unfolded under native conditions were used to establish the validity of the calculations. These calculations suggest that weak Coulomb interactions are an unavoidable property of unfolded proteins. At neutral pH, the interactions are too weak to organize the unfolded state; however, at extreme pH values, where the protein has a significant net charge, the combined action of a large number of weak repulsive interactions can lead to the expansion of the unfolded state. The calculated pK a values of ionizable groups in the unfolded state are similar but not identical to the values in small peptides in water. These studies suggest that the accuracy of structure-based calculations of electrostatic contributions to stability cannot be improved unless electrostatic effects in the unfolded state are calculated explicitly. PMID:18227429

Automatic search for maximum similarity between molecular electrostatic potential distributions

NASA Astrophysics Data System (ADS)

Manaut, Francesc; Sanz, Ferran; José, Jaume; Milesi, Massimo

1991-08-01

A new computer program has been developed to automatically obtain the relative position of two molecules in which the similarity between molecular electrostatic-potential distributions is greatest. These distributions are considered in a volume around the molecules, and the similarity is measured by the Spearman rank coefficient. The program has been tested using several pairs of molecules: water vs. water; phenylethylamine and phenylpropylamine vs. benzylamine; and methotrexate vs. dihydrofolic acid.

Development of high intensity ion sources for a Tandem-Electrostatic-Quadrupole facility for Accelerator-Based Boron Neutron Capture Therapy.

PubMed

Bergueiro, J; Igarzabal, M; Sandin, J C Suarez; Somacal, H R; Vento, V Thatar; Huck, H; Valda, A A; Repetto, M; Kreiner, A J

2011-12-01

Several ion sources have been developed and an ion source test stand has been mounted for the first stage of a Tandem-Electrostatic-Quadrupole facility For Accelerator-Based Boron Neutron Capture Therapy. A first source, designed, fabricated and tested is a dual chamber, filament driven and magnetically compressed volume plasma proton ion source. A 4 mA beam has been accelerated and transported into the suppressed Faraday cup. Extensive simulations of the sources have been performed using both 2D and 3D self-consistent codes. Copyright © 2011 Elsevier Ltd. All rights reserved.

Testing the statistical compatibility of independent data sets

NASA Astrophysics Data System (ADS)

Maltoni, M.; Schwetz, T.

2003-08-01

We discuss a goodness-of-fit method which tests the compatibility between statistically independent data sets. The method gives sensible results even in cases where the χ2 minima of the individual data sets are very low or when several parameters are fitted to a large number of data points. In particular, it avoids the problem that a possible disagreement between data sets becomes diluted by data points which are insensitive to the crucial parameters. A formal derivation of the probability distribution function for the proposed test statistics is given, based on standard theorems of statistics. The application of the method is illustrated on data from neutrino oscillation experiments, and its complementarity to the standard goodness-of-fit is discussed.

Electrostatic Plasma Accelerator (EPA)

NASA Technical Reports Server (NTRS)

Brophy, John R.; Aston, Graeme

1989-01-01

The Electrostatic Plasma Accelerator (EPA) is a thruster concept which promises specific impulse levels between low power arcjets and those of the ion engine while retaining the relative simplicity of the arcjet. The EPA thruster produces thrust through the electrostatic acceleration of a moderately dense plasma. No accelerating electrodes are used and the specific impulse is a direct function of the applied discharge voltage and the propellant atomic mass. The goal of the present program is to demonstrate feasibility of the EPA thruster concept through experimental and theoretical investigations of the EPA acceleration mechanism and discharge chamber performance. Experimental investigations will include operating the test bed ion (TBI) engine as an EPA thruster and parametrically varying the thruster geometry and operating conditions to quantify the electrostatic plasma acceleration effect. The theoretical investigations will include the development of a discharge chamber model which describes the relationships between the engine size, plasma properties, and overall performance. For the EPA thruster to be a viable propulsion concept, overall thruster efficiencies approaching 30% with specific impulses approaching 1000 s must be achieved.

The electrostatic persistence length of polymers beyond the OSF limit.

PubMed

Everaers, R; Milchev, A; Yamakov, V

2002-05-01

We use large-scale Monte Carlo simulations to test scaling theories for the electrostatic persistence length l(e) of isolated, uniformly charged polymers with Debye-Hückel intrachain interactions in the limit where the screening length kappa(-1) exceeds the intrinsic persistence length of the chains. Our simulations cover a significantly larger part of the parameter space than previous studies. We observe no significant deviations from the prediction l(e) proportional to kappa(-2) by Khokhlov and Khachaturian which is based on applying the Odijk-Skolnick-Fixman theories of electrostatic bending rigidity and electrostatically excluded volume to the stretched de Gennes-Pincus-Velasco-Brochard polyelectrolyte blob chain. A linear or sublinear dependence of the persistence length on the screening length can be ruled out. We show that previous results pointing into this direction are due to a combination of excluded-volume and finite chain length effects. The paper emphasizes the role of scaling arguments in the development of useful representations for experimental and simulation data.

Multipolar Electrostatic Energy Prediction for all 20 Natural Amino Acids Using Kriging Machine Learning.

PubMed

Fletcher, Timothy L; Popelier, Paul L A

2016-06-14

A machine learning method called kriging is applied to the set of all 20 naturally occurring amino acids. Kriging models are built that predict electrostatic multipole moments for all topological atoms in any amino acid based on molecular geometry only. These models then predict molecular electrostatic interaction energies. On the basis of 200 unseen test geometries for each amino acid, no amino acid shows a mean prediction error above 5.3 kJ mol(-1), while the lowest error observed is 2.8 kJ mol(-1). The mean error across the entire set is only 4.2 kJ mol(-1) (or 1 kcal mol(-1)). Charged systems are created by protonating or deprotonating selected amino acids, and these show no significant deviation in prediction error over their neutral counterparts. Similarly, the proposed methodology can also handle amino acids with aromatic side chains, without the need for modification. Thus, we present a generic method capable of accurately capturing multipolar polarizable electrostatics in amino acids.

Wave-particle dualism and complementarity unraveled by a different mode

PubMed Central

Menzel, Ralf; Puhlmann, Dirk; Heuer, Axel; Schleich, Wolfgang P.

2012-01-01

The precise knowledge of one of two complementary experimental outcomes prevents us from obtaining complete information about the other one. This formulation of Niels Bohr’s principle of complementarity when applied to the paradigm of wave-particle dualism—that is, to Young’s double-slit experiment—implies that the information about the slit through which a quantum particle has passed erases interference. In the present paper we report a double-slit experiment using two photons created by spontaneous parametric down-conversion where we observe interference in the signal photon despite the fact that we have located it in one of the slits due to its entanglement with the idler photon. This surprising aspect of complementarity comes to light by our special choice of the TEM01 pump mode. According to quantum field theory the signal photon is then in a coherent superposition of two distinct wave vectors giving rise to interference fringes analogous to two mechanical slits. PMID:22628561

Complementarity of PALM and SOFI for super-resolution live-cell imaging of focal adhesions

PubMed Central

Deschout, Hendrik; Lukes, Tomas; Sharipov, Azat; Szlag, Daniel; Feletti, Lely; Vandenberg, Wim; Dedecker, Peter; Hofkens, Johan; Leutenegger, Marcel; Lasser, Theo; Radenovic, Aleksandra

2016-01-01

Live-cell imaging of focal adhesions requires a sufficiently high temporal resolution, which remains a challenge for super-resolution microscopy. Here we address this important issue by combining photoactivated localization microscopy (PALM) with super-resolution optical fluctuation imaging (SOFI). Using simulations and fixed-cell focal adhesion images, we investigate the complementarity between PALM and SOFI in terms of spatial and temporal resolution. This PALM-SOFI framework is used to image focal adhesions in living cells, while obtaining a temporal resolution below 10 s. We visualize the dynamics of focal adhesions, and reveal local mean velocities around 190 nm min−1. The complementarity of PALM and SOFI is assessed in detail with a methodology that integrates a resolution and signal-to-noise metric. This PALM and SOFI concept provides an enlarged quantitative imaging framework, allowing unprecedented functional exploration of focal adhesions through the estimation of molecular parameters such as fluorophore densities and photoactivation or photoswitching kinetics. PMID:27991512

Complementarity of PALM and SOFI for super-resolution live-cell imaging of focal adhesions

NASA Astrophysics Data System (ADS)

Deschout, Hendrik; Lukes, Tomas; Sharipov, Azat; Szlag, Daniel; Feletti, Lely; Vandenberg, Wim; Dedecker, Peter; Hofkens, Johan; Leutenegger, Marcel; Lasser, Theo; Radenovic, Aleksandra

2016-12-01

Live-cell imaging of focal adhesions requires a sufficiently high temporal resolution, which remains a challenge for super-resolution microscopy. Here we address this important issue by combining photoactivated localization microscopy (PALM) with super-resolution optical fluctuation imaging (SOFI). Using simulations and fixed-cell focal adhesion images, we investigate the complementarity between PALM and SOFI in terms of spatial and temporal resolution. This PALM-SOFI framework is used to image focal adhesions in living cells, while obtaining a temporal resolution below 10 s. We visualize the dynamics of focal adhesions, and reveal local mean velocities around 190 nm min-1. The complementarity of PALM and SOFI is assessed in detail with a methodology that integrates a resolution and signal-to-noise metric. This PALM and SOFI concept provides an enlarged quantitative imaging framework, allowing unprecedented functional exploration of focal adhesions through the estimation of molecular parameters such as fluorophore densities and photoactivation or photoswitching kinetics.

Complementarity of PALM and SOFI for super-resolution live-cell imaging of focal adhesions.

PubMed

Deschout, Hendrik; Lukes, Tomas; Sharipov, Azat; Szlag, Daniel; Feletti, Lely; Vandenberg, Wim; Dedecker, Peter; Hofkens, Johan; Leutenegger, Marcel; Lasser, Theo; Radenovic, Aleksandra

2016-12-19

Live-cell imaging of focal adhesions requires a sufficiently high temporal resolution, which remains a challenge for super-resolution microscopy. Here we address this important issue by combining photoactivated localization microscopy (PALM) with super-resolution optical fluctuation imaging (SOFI). Using simulations and fixed-cell focal adhesion images, we investigate the complementarity between PALM and SOFI in terms of spatial and temporal resolution. This PALM-SOFI framework is used to image focal adhesions in living cells, while obtaining a temporal resolution below 10 s. We visualize the dynamics of focal adhesions, and reveal local mean velocities around 190 nm min -1 . The complementarity of PALM and SOFI is assessed in detail with a methodology that integrates a resolution and signal-to-noise metric. This PALM and SOFI concept provides an enlarged quantitative imaging framework, allowing unprecedented functional exploration of focal adhesions through the estimation of molecular parameters such as fluorophore densities and photoactivation or photoswitching kinetics.

Development of an Electrostatically Clean Solar Array Panel

NASA Technical Reports Server (NTRS)

Stern, Theodore G.; Krumweide, Duane; Gaddy, Edward; Katz, Ira

2000-01-01

The results of design, analysis, and qualification of an Electrostatically Clean Solar Array (ECSA) panel are described. The objective of the ECSA design is to provide an electrostatic environment that does not interfere with sensitive instruments on scientific spacecraft. The ECSA design uses large, ITO-coated coverglasses that cover multiple solar cells, an aperture grid that covers the intercell areas, stress-relieved interconnects for connecting the aperture grid to the coverglasses, and edge clips to provides an electromagnetically shielded enclosure for the solar array active circuitry. Qualification coupons were fabricated and tested for photovoltaic response, conductivity, and survivability to launch acoustic and thermal cycling environments simulating LEO and GEO missions. The benefits of reducing solar panel interaction with the space environment are also discussed.

A charge- and energy-conserving implicit, electrostatic particle-in-cell algorithm on mapped computational meshes

NASA Astrophysics Data System (ADS)

Chacón, L.; Chen, G.; Barnes, D. C.

2013-01-01

We describe the extension of the recent charge- and energy-conserving one-dimensional electrostatic particle-in-cell algorithm in Ref. [G. Chen, L. Chacón, D.C. Barnes, An energy- and charge-conserving, implicit electrostatic particle-in-cell algorithm, Journal of Computational Physics 230 (2011) 7018-7036] to mapped (body-fitted) computational meshes. The approach maintains exact charge and energy conservation properties. Key to the algorithm is a hybrid push, where particle positions are updated in logical space, while velocities are updated in physical space. The effectiveness of the approach is demonstrated with a challenging numerical test case, the ion acoustic shock wave. The generalization of the approach to multiple dimensions is outlined.

Orthogonal Electric Field Measurements near the Green Fluorescent Protein Fluorophore through Stark Effect Spectroscopy and pKa Shifts Provide a Unique Benchmark for Electrostatics Models.

PubMed

Slocum, Joshua D; First, Jeremy T; Webb, Lauren J

2017-07-20

Measurement of the magnitude, direction, and functional importance of electric fields in biomolecules has been a long-standing experimental challenge. pK a shifts of titratable residues have been the most widely implemented measurements of the local electrostatic environment around the labile proton, and experimental data sets of pK a shifts in a variety of systems have been used to test and refine computational prediction capabilities of protein electrostatic fields. A more direct and increasingly popular technique to measure electric fields in proteins is Stark effect spectroscopy, where the change in absorption energy of a chromophore relative to a reference state is related to the change in electric field felt by the chromophore. While there are merits to both of these methods and they are both reporters of local electrostatic environment, they are fundamentally different measurements, and to our knowledge there has been no direct comparison of these two approaches in a single protein. We have recently demonstrated that green fluorescent protein (GFP) is an ideal model system for measuring changes in electric fields in a protein interior caused by amino acid mutations using both electronic and vibrational Stark effect chromophores. Here we report the changes in pK a of the GFP fluorophore in response to the same mutations and show that they are in excellent agreement with Stark effect measurements. This agreement in the results of orthogonal experiments reinforces our confidence in the experimental results of both Stark effect and pK a measurements and provides an excellent target data set to benchmark diverse protein electrostatics calculations. We used this experimental data set to test the pK a prediction ability of the adaptive Poisson-Boltzmann solver (APBS) and found that a simple continuum dielectric model of the GFP interior is insufficient to accurately capture the measured pK a and Stark effect shifts. We discuss some of the limitations of this continuum-based model in this system and offer this experimentally self-consistent data set as a target benchmark for electrostatics models, which could allow for a more rigorous test of pK a prediction techniques due to the unique environment of the water-filled GFP barrel compared to traditional globular proteins.

Evidence for Context-Dependent Complementarity of Non-Shine-Dalgarno Ribosome Binding Sites to Escherichia coli rRNA

PubMed Central

Barendt, Pamela A.; Shah, Najaf A.; Barendt, Gregory A.; Kothari, Parth A.; Sarkar, Casim A.

2013-01-01

While the ribosome has evolved to function in complex intracellular environments, these contexts do not easily allow for the study of its inherent capabilities. We have used a synthetic, well-defined, Escherichia coli (E. coli)-based translation system in conjunction with ribosome display, a powerful in vitro selection method, to identify ribosome binding sites (RBSs) that can promote the efficient translation of messenger RNAs (mRNAs) with a leader length representative of natural E. coli mRNAs. In previous work, we used a longer leader sequence and unexpectedly recovered highly efficient cytosine-rich sequences with complementarity to the 16S ribosomal RNA (rRNA) and similarity to eukaryotic RBSs. In the current study, Shine-Dalgarno (SD) sequences were prevalent but non-SD sequences were also heavily enriched and were dominated by novel guanine- and uracil-rich motifs which showed statistically significant complementarity to the 16S rRNA. Additionally, only SD motifs exhibited position-dependent decreases in sequence entropy, indicating that non-SD motifs likely operate by increasing the local concentration of ribosomes in the vicinity of the start codon, rather than by a position-dependent mechanism. These results further support the putative generality of mRNA-rRNA complementarity in facilitating mRNA translation, but also suggest that context (e.g., leader length and composition) dictates the specific subset of possible RBSs that are used for efficient translation of a given transcript. PMID:23427812

"Soft docking": matching of molecular surface cubes.

PubMed

Jiang, F; Kim, S H

1991-05-05

Molecular recognition is achieved through the complementarity of molecular surface structures and energetics with, most commonly, associated minor conformational changes. This complementarity can take many forms: charge-charge interaction, hydrogen bonding, van der Waals' interaction, and the size and shape of surfaces. We describe a method that exploits these features to predict the sites of interactions between two cognate molecules given their three-dimensional structures. We have developed a "cube representation" of molecular surface and volume which enables us not only to design a simple algorithm for a six-dimensional search but also to allow implicitly the effects of the conformational changes caused by complex formation. The present molecular docking procedure may be divided into two stages. The first is the selection of a population of complexes by geometric "soft docking", in which surface structures of two interacting molecules are matched with each other, allowing minor conformational changes implicitly, on the basis of complementarity in size and shape, close packing, and the absence of steric hindrance. The second is a screening process to identify a subpopulation with many favorable energetic interactions between the buried surface areas. Once the size of the subpopulation is small, one may further screen to find the correct complex based on other criteria or constraints obtained from biochemical, genetic, and theoretical studies, including visual inspection. We have tested the present method in two ways. First is a control test in which we docked the components of a molecular complex of known crystal structure available in the Protein Data Bank (PDB). Two molecular complexes were used: (1) a ternary complex of dihydrofolate reductase, NADPH and methotrexate (3DFR in PDB) and (2) a binary complex of trypsin and trypsin inhibitor (2PTC in PDB). The components of each complex were taken apart at an arbitrary relative orientation and then docked together again. The results show that the geometric docking alone is sufficient to determine the correct docking solutions in these ideal cases, and that the cube representation of the molecules does not degrade the docking process in the search for the correct solution. The second is the more realistic experiment in which we docked the crystal structures of uncomplexed molecules and then compared the structures of docked complexes with the crystal structures of the corresponding complexes. This is to test the capability of our method in accommodating the effects of the conformational changes in the binding sites of the molecules in docking.(ABSTRACT TRUNCATED AT 400 WORDS)

Particle Removal by Electrostatic and Dielectrophoretic Forces for Dust Control During Lunar Exploration Missions

NASA Technical Reports Server (NTRS)

Calle, C. I.; Buhler, C. R.; McFall, J. L.; Snyder, S. J.

2009-01-01

Particle removal during lunar exploration activities is of prime importance for the success of robotic and human exploration of the moon. We report on our efforts to use electrostatic and dielectrophoretic forces to develop a dust removal technology that prevents the accumulation of dust on solar panels and removes dust adhering to those surfaces. Testing of several prototypes showed solar shield output above 90% of the initial potentials after dust clearing.

Comparative performance and complementarity of four sampling methods and arthropod preference tests from human and porcine remains at the Forensic Anthropology Center in Knoxville, Tennessee.

PubMed

Schoenly, Kenneth G; Haskell, Neal H; Hall, Robert D; Gbur, J Robert

2007-09-01

Comparative performance and complementarity tests of four arthropod sampling methods (aerial netting, hand collection, pitfall traps, and sticky traps), used by forensic entomologists in death investigations, training workshops, and research trials, were conducted from simultaneously placed human and porcine subjects inside the Forensic Anthropology Center at the University of Tennessee, Knoxville, TN. A secondary aim investigated the widely held claim that pig carcasses are reliable surrogates for human corpses. Over a 35-d period in summer 1989, >72,000 invertebrates from three subjects (one human, two pigs) were sampled of which 93% were members of the forensically important (FI) fauna. Performance tests revealed that hand collections, when performed by an experienced forensic entomologist, consistently yielded the largest fraction of FI arthropods from the total invertebrate catch, followed by aerial netting, sticky traps, and pitfall traps, regardless of subject. Pitfall traps and hand collections were broadly effective at sampling both fly and beetle populations, whereas aerial netting and sticky traps mostly targeted flies. The best two-method combination, based on the highest combined catches of FI taxa, were hand collections and pitfall traps, regardless of subject. Between-subject comparisons revealed negligible preference by FI arthropods for human over pig remains. Insofar as our limited comparisons allow with only three study subjects, these results validated the concept of transferability of "best practices" from one subject to another and confirmed the claim that pig carcasses (of 23-27-kg starting mass) can substitute for human corpses in research and training programs, at least for summer-exposed and unconcealed remains in the first 5 wk postmortem.

Simulation of external and internal electrostatic discharges at the spacecraft system test level

NASA Technical Reports Server (NTRS)

Whittlesey, A.; Leung, P.

1984-01-01

Environmental test activities concerned with space plasma-caused charging and discharing phenomena are discussed. It is pointed out that the origin of such an electrostatic discharge (ESD) is charging of spacecraft dielectrics by an energetic plasma in geosynchronous orbit, Jupiter's magnetosphere, or other similar space environments. In dealing with environmental testing problems, it is necessary to define the location and magnitude of any ESD's in preparation for a subsequent simulation of the given conditions. Questions of external and internal charging are discussed separately. The environmental hazard from an external discharge can be assessed by viewing the dielectric surface as one side of a parallel plate capacitor. In the case of internal charging, the level of environmental concern depends on the higher energy spectrum of the ambient electrons.

EMISSION TEST REPORT- FIELD TEST OF CARBON INJECTION FOR MERCURY CONTROL, CAMDEN COUNTY MUNICIPAL WASTE COMBUSTOR

EPA Science Inventory

The report gives results of parametric test to evaluate the injection powdered activated carbon to control volatile pollutants in municipal waste combustor (MWC) flue gas. he tests were conducted at a spray dryer absorber/electrostatic precipitator (SD/ESP)-equipped MWC in Camden...

General monogamy equalities of complementarity relation and distributive entanglement for multi-qubit pure states

NASA Astrophysics Data System (ADS)

Zha, Xinwei; Da, Zhang; Ahmed, Irfan; Zhang, Dan; Zhang, Yanpeng

2018-02-01

In this paper, we determine the complementarity relations for pure quantum states of N qubits by presenting the definition of local and non-local forms. By comparing the entanglement monogamy equality proposed by Coffman, Kundu, and Wootters, we prove that there exist strict monogamy laws for quantum correlations in all many-qubit systems. Further, the proper form of general entanglement monogamy equality for arbitrary quantum states is found with the characterization of total quantum correlation of qubits. These results may open a new window for multi-qubit entanglement.

76 FR 30180 - Notice of Issuance of Final Determination Concerning Pocket Projectors

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-24

..., and adhering by electrostatic means. The finished projector will undergo a series of tests in Taiwan: A pre-test, a run-in test, and a function test. The pre-test consists of: ensuring that the... the projector is turned on (developed in Taiwan), (2) test patterns that are projected on the screen...

Detecting chameleon dark energy via an electrostatic analogy.

PubMed

Jones-Smith, Katherine; Ferrer, Francesc

2012-06-01

The late-time accelerated expansion of the Universe could be caused by a scalar field that is screened on small scales, as in the case of chameleon or symmetron scenarios. We present an analogy between such scalar fields and electrostatics, which allows calculation of the field profile for general extended bodies. Interestingly, the field demonstrates a "lightning rod" effect, where it becomes enhanced near the ends of a pointed or elongated object. Drawing from this correspondence, we show that nonspherical test bodies immersed in a background field will experience a net torque caused by the scalar field. This effect, with no counterpart in the gravitational case, can be potentially tested in future experiments.

Non-destructive evaluation method employing dielectric electrostatic ultrasonic transducers

NASA Technical Reports Server (NTRS)

Yost, William T. (Inventor); Cantrell, Jr., John H. (Inventor)

2003-01-01

An acoustic nonlinearity parameter (.beta.) measurement method and system for Non-Destructive Evaluation (NDE) of materials and structural members novelly employs a loosely mounted dielectric electrostatic ultrasonic transducer (DEUT) to receive and convert ultrasonic energy into an electrical signal which can be analyzed to determine the .beta. of the test material. The dielectric material is ferroelectric with a high dielectric constant .di-elect cons.. A computer-controlled measurement system coupled to the DEUT contains an excitation signal generator section and a measurement and analysis section. As a result, the DEUT measures the absolute particle displacement amplitudes in test material, leading to derivation of the nonlinearity parameter (.beta.) without the costly, low field reliability methods of the prior art.

ESA's tools for internal charging

NASA Astrophysics Data System (ADS)

Sorensen, J.; Rodgers, D. J.; Ryden, K. A.; Latham, P. M.; Wrenn, G. L.; Levy, L.; Panabiere, G.

2000-06-01

Electrostatic discharges, caused by bulk charging of spacecraft insulating materials, are a major cause of satellite anomalies. A quantitative knowledge of the charge build-up is essential in order to eliminate these problems in the design stage. This is a presentation of ESA's tools to assess whether a given structure is liable to experience electrostatic discharges or not. A study has been made of the physical phenomenon, and an engineering specification has been created to be used to assess a structure for potential discharge problems. The specification has been implemented in a new software DICTAT. The implementation of tests in dedicated facilities is an important part of the specification, and tests have been performed to validate the new tool.

The electrostatic properties of Fiber-Reinforced-Plastics double wall underground storage gasoline tanks

NASA Astrophysics Data System (ADS)

Li, Yipeng; Liu, Quanzhen; Meng, He; Sun, Lifu; Zhang, Yunpeng

2013-03-01

At present Fiber Reinforced Plastics (FRP) double wall underground storage gasoline tanks are wildly used. An FRP product with a resistance of more than 1011 Ω is a static non-conductor, so it is difficult for the static electricity in the FRP product to decay into the earth. In this paper an experimental system was built to simulate an automobile gasoline filling station. Some electrostatic parameters of the gasoline, including volume charge density, were tested when gasoline was unloaded into a FRP double wall underground storage tank. Measurements were taken to make sure the volume charge density in the oil-outlet was similar to the volume charge density in the tank. In most cases the volume charge density of the gasoline was more than 22.7 μC m-3, which is likely to cause electrostatic discharge in FRP double wall underground storage gasoline tanks. On the other hand, it would be hard to ignite the vapor by electrostatic discharge since the vapor pressure in the tanks is over the explosion limit. But when the tank is repaired or re-used, the operators must pay attention to the static electricity and some measurements should be taken to avoid electrostatic accident. Besides the relaxation time of charge in the FRP double wall gasoline storage tanks should be longer.

Electrostatic sampling of trace DNA from clothing.

PubMed

Zieger, Martin; Defaux, Priscille Merciani; Utz, Silvia

2016-05-01

During acts of physical aggression, offenders frequently come into contact with clothes of the victim, thereby leaving traces of DNA-bearing biological material on the garments. Since tape-lifting and swabbing, the currently established methods for non-destructive trace DNA sampling from clothing, both have their shortcomings in collection efficiency and handling, we thought about a new collection method for these challenging samples. Testing two readily available electrostatic devices for their potential to sample biological material from garments made of different fabrics, we found one of them, the electrostatic dust print lifter (DPL), to perform comparable to well-established sampling with wet cotton swabs. In simulated aggression scenarios, we had the same success rate for the establishment of single aggressor profiles, suitable for database submission, with both the DPL and wet swabbing. However, we lost a substantial amount of information with electrostatic sampling, since almost no mixed aggressor-victim profiles suitable for database entry could be established, compared to conventional swabbing. This study serves as a proof of principle for electrostatic DNA sampling from items of clothing. The technique still requires optimization before it might be used in real casework. But we are confident that in the future it could be an efficient and convenient contribution to the toolbox of forensic practitioners.

Electrostatically Embedded Many-Body Approximation for Systems of Water, Ammonia, and Sulfuric Acid and the Dependence of Its Performance on Embedding Charges.

PubMed

Leverentz, Hannah R; Truhlar, Donald G

2009-06-09

This work tests the capability of the electrostatically embedded many-body (EE-MB) method to calculate accurate (relative to conventional calculations carried out at the same level of electronic structure theory and with the same basis set) binding energies of mixed clusters (as large as 9-mers) consisting of water, ammonia, sulfuric acid, and ammonium and bisulfate ions. This work also investigates the dependence of the accuracy of the EE-MB approximation on the type and origin of the charges used for electrostatically embedding these clusters. The conclusions reached are that for all of the clusters and sets of embedding charges studied in this work, the electrostatically embedded three-body (EE-3B) approximation is capable of consistently yielding relative errors of less than 1% and an average relative absolute error of only 0.3%, and that the performance of the EE-MB approximation does not depend strongly on the specific set of embedding charges used. The electrostatically embedded pairwise approximation has errors about an order of magnitude larger than EE-3B. This study also explores the question of why the accuracy of the EE-MB approximation shows such little dependence on the types of embedding charges employed.

Development of a Tunnel Diode Resonator technique for magnetic measurements in Electrostatic Levitation chamber

NASA Astrophysics Data System (ADS)

Spyrison, N. S.; Prommapan, P.; Kim, H.; Maloney, J.; Rustan, G. E.; Kreyssig, A.; Goldman, A. I.; Prozorov, R.

2011-03-01

The incorporation of the Tunnel Diode Resonator (TDR) technique into an ElectroStatic Levitation (ESL) apparatus was explored. The TDR technique is known to operate and behave well at low temperatures with careful attention to coil-sample positioning in a dark, shielded environment. With these specifications a frequency resolution of 10-9 in a few seconds counting time can be achieved. Complications arise when this technique is applied in the ESL chamber where a sample of molten metal is levitating less then 10 mm from the coil in a large electrostatic field. We have tested a variety of coils unconventional to TDR; including Helmholtz pairs and Archimedean spiral coils. Work was supported by the Nation Science Foundation under grant DMR-08-17157

Template-assisted electrostatic spray deposition as a new route to mesoporous, macroporous, and hierarchically porous oxide films.

PubMed

Sokolov, S; Paul, B; Ortel, E; Fischer, A; Kraehnert, R

2011-03-01

A novel film coating technique, template-assisted electrostatic spray deposition (TAESD), was developed for the synthesis of porous metal oxide films and tested on TiO(2). Organic templates are codeposited with the titania precursor by electrostatic spray deposition and then removed during calcination. Resultant films are highly porous with pores casted by uniformly sized templates, which introduced a new level of control over the pore morphology for the ESD method. Employing the amphiphilic block copolymer Pluronic P123, PMMA latex spheres, or a combination of the two, mesoporous, macroporous, and hierarchically porous TiO(2) films are obtained. Decoupled from other coating parameters, film thickness can be controlled by deposition time or depositing multiple layers while maintaining the coating's structure and integrity.

Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging.

PubMed

Hughes, Timothy J; Kandathil, Shaun M; Popelier, Paul L A

2015-02-05

As intermolecular interactions such as the hydrogen bond are electrostatic in origin, rigorous treatment of this term within force field methodologies should be mandatory. We present a method able of accurately reproducing such interactions for seven van der Waals complexes. It uses atomic multipole moments up to hexadecupole moment mapped to the positions of the nuclear coordinates by the machine learning method kriging. Models were built at three levels of theory: HF/6-31G(**), B3LYP/aug-cc-pVDZ and M06-2X/aug-cc-pVDZ. The quality of the kriging models was measured by their ability to predict the electrostatic interaction energy between atoms in external test examples for which the true energies are known. At all levels of theory, >90% of test cases for small van der Waals complexes were predicted within 1 kJ mol(-1), decreasing to 60-70% of test cases for larger base pair complexes. Models built on moments obtained at B3LYP and M06-2X level generally outperformed those at HF level. For all systems the individual interactions were predicted with a mean unsigned error of less than 1 kJ mol(-1). Copyright © 2013 Elsevier B.V. All rights reserved.

Forecast and analysis of the cosmological redshift drift.

PubMed

Lazkoz, Ruth; Leanizbarrutia, Iker; Salzano, Vincenzo

2018-01-01

The cosmological redshift drift could lead to the next step in high-precision cosmic geometric observations, becoming a direct and irrefutable test for cosmic acceleration. In order to test the viability and possible properties of this effect, also called Sandage-Loeb (SL) test, we generate a model-independent mock data set in order to compare its constraining power with that of the future mock data sets of Type Ia Supernovae (SNe) and Baryon Acoustic Oscillations (BAO). The performance of those data sets is analyzed by testing several cosmological models with the Markov chain Monte Carlo (MCMC) method, both independently as well as combining all data sets. Final results show that, in general, SL data sets allow for remarkable constraints on the matter density parameter today [Formula: see text] on every tested model, showing also a great complementarity with SNe and BAO data regarding dark energy parameters.

Response-based selection of barley cultivars and legume species for complementarity: Root morphology and exudation in relation to nutrient source.

PubMed

Giles, Courtney D; Brown, Lawrie K; Adu, Michael O; Mezeli, Malika M; Sandral, Graeme A; Simpson, Richard J; Wendler, Renate; Shand, Charles A; Menezes-Blackburn, Daniel; Darch, Tegan; Stutter, Marc I; Lumsdon, David G; Zhang, Hao; Blackwell, Martin S A; Wearing, Catherine; Cooper, Patricia; Haygarth, Philip M; George, Timothy S

2017-02-01

Phosphorus (P) and nitrogen (N) use efficiency may be improved through increased biodiversity in agroecosystems. Phenotypic variation in plants' response to nutrient deficiency may influence positive complementarity in intercropping systems. A multicomponent screening approach was used to assess the influence of P supply and N source on the phenotypic plasticity of nutrient foraging traits in barley (H. vulgare L.) and legume species. Root morphology and exudation were determined in six plant nutrient treatments. A clear divergence in the response of barley and legumes to the nutrient treatments was observed. Root morphology varied most among legumes, whereas exudate citrate and phytase activity were most variable in barley. Changes in root morphology were minimized in plants provided with ammonium in comparison to nitrate but increased under P deficiency. Exudate phytase activity and pH varied with legume species, whereas citrate efflux, specific root length, and root diameter lengths were more variable among barley cultivars. Three legume species and four barley cultivars were identified as the most responsive to P deficiency and the most contrasting of the cultivars and species tested. Phenotypic response to nutrient availability may be a promising approach for the selection of plant combinations for minimal input cropping systems. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Effects of intraspecific phenotypic variation on species coexistence.

PubMed

Hausch, Stephen; Vamosi, Steven M; Fox, Jeremy W

2018-06-01

Intraspecific variation can promote or inhibit species coexistence, both by increasing species' competitive abilities, and by altering the relative strengths of intraspecific and interspecific competition. Effects of intraspecific variation on coexistence can occur via complementarity of different variants, and via a selection effect: initially-variable populations are more likely to contain highly competitive variants that might determine the ability of the population as a whole to both invade and resist invasion. We tested the effects of intraspecific variation and composition on coexistence by assaying the mutual invasibility of populations of two competing bean weevil species (Callosobruchus maculatus and C. chinensis) when each was initiated with one, three, or five genetically- and phenotypically-distinct lineages. Our results reveal that intraspecific variation is a double-edged sword for species coexistence. Increasing intraspecific variation increased species' abilities to invade, and to resist invasion, via selection effects and intraspecific niche complementarity among conspecific lineages, thereby creating the potential for exclusion among mismatched competitors. But intraspecific variation also increased the scope for resource partitioning, creating the potential for stable coexistence. Stable coexistence occurred only when intraspecific variation caused species to exhibit both relatively evenly-matched competitive abilities and sufficiently-strong resource partitioning. Our work explains the conflicting results of previous studies. © 2018 by the Ecological Society of America.

I-HEDGE: determining the optimum complementary sets of taxa for conservation using evolutionary isolation

PubMed Central

Mooers, Arne Ø.; Caccone, Adalgisa; Russello, Michael A.

2016-01-01

In the midst of the current biodiversity crisis, conservation efforts might profitably be directed towards ensuring that extinctions do not result in inordinate losses of evolutionary history. Numerous methods have been developed to evaluate the importance of species based on their contribution to total phylogenetic diversity on trees and networks, but existing methods fail to take complementarity into account, and thus cannot identify the best order or subset of taxa to protect. Here, we develop a novel iterative calculation of the heightened evolutionary distinctiveness and globally endangered metric (I-HEDGE) that produces the optimal ranked list for conservation prioritization, taking into account complementarity and based on both phylogenetic diversity and extinction probability. We applied this metric to a phylogenetic network based on mitochondrial control region data from extant and recently extinct giant Galápagos tortoises, a highly endangered group of closely related species. We found that the restoration of two extinct species (a project currently underway) will contribute the greatest gain in phylogenetic diversity, and present an ordered list of rankings that is the optimum complementarity set for conservation prioritization. PMID:27635324

I-HEDGE: determining the optimum complementary sets of taxa for conservation using evolutionary isolation.

PubMed

Jensen, Evelyn L; Mooers, Arne Ø; Caccone, Adalgisa; Russello, Michael A

2016-01-01

In the midst of the current biodiversity crisis, conservation efforts might profitably be directed towards ensuring that extinctions do not result in inordinate losses of evolutionary history. Numerous methods have been developed to evaluate the importance of species based on their contribution to total phylogenetic diversity on trees and networks, but existing methods fail to take complementarity into account, and thus cannot identify the best order or subset of taxa to protect. Here, we develop a novel iterative calculation of the heightened evolutionary distinctiveness and globally endangered metric (I-HEDGE) that produces the optimal ranked list for conservation prioritization, taking into account complementarity and based on both phylogenetic diversity and extinction probability. We applied this metric to a phylogenetic network based on mitochondrial control region data from extant and recently extinct giant Galápagos tortoises, a highly endangered group of closely related species. We found that the restoration of two extinct species (a project currently underway) will contribute the greatest gain in phylogenetic diversity, and present an ordered list of rankings that is the optimum complementarity set for conservation prioritization.

Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.

PubMed

Davenport, Thaddeus M; Gorman, Jason; Joyce, M Gordon; Zhou, Tongqing; Soto, Cinque; Guttman, Miklos; Moquin, Stephanie; Yang, Yongping; Zhang, Baoshan; Doria-Rose, Nicole A; Hu, Shiu-Lok; Mascola, John R; Kwong, Peter D; Lee, Kelly K

2016-08-02

Antibody somatic hypermutation (SHM) and affinity maturation enhance antigen recognition by modifying antibody paratope structure to improve its complementarity with the target epitope. SHM-induced changes in paratope dynamics may also contribute to antibody maturation, but direct evidence of this is limited. Here, we examine two classes of HIV-1 broadly neutralizing antibodies (bNAbs) for SHM-induced changes in structure and dynamics, and delineate the effects of these changes on interactions with the HIV-1 envelope glycoprotein (Env). In combination with new and existing structures of unmutated and affinity matured antibody Fab fragments, we used hydrogen/deuterium exchange with mass spectrometry to directly measure Fab structural dynamics. Changes in antibody structure and dynamics were positioned to improve complementarity with Env, with changes in dynamics primarily observed at the paratope peripheries. We conclude that SHM optimizes paratope complementarity to conserved HIV-1 epitopes and restricts the mobility of paratope-peripheral residues to minimize clashes with variable features on HIV-1 Env. Copyright © 2016 Elsevier Ltd. All rights reserved.

Intraspecific genetic diversity and composition modify species-level diversity-productivity relationships.

PubMed

Schöb, Christian; Kerle, Sarah; Karley, Alison J; Morcillo, Luna; Pakeman, Robin J; Newton, Adrian C; Brooker, Rob W

2015-01-01

Biodiversity regulates ecosystem functions such as productivity, and experimental studies of species mixtures have revealed selection and complementarity effects driving these responses. However, the impacts of intraspecific genotypic diversity in these studies are unknown, despite it forming a substantial part of the biodiversity. In a glasshouse experiment we constructed plant communities with different levels of barley (Hordeum vulgare) genotype and weed species diversity and assessed their relative biodiversity effects through additive partitioning into selection and complementarity effects. Barley genotype diversity had weak positive effects on aboveground biomass through complementarity effects, whereas weed species diversity increased biomass predominantly through selection effects. When combined, increasing genotype diversity of barley tended to dilute the selection effect of weeds. We interpret these different effects of barley genotype and weed species diversity as the consequence of small vs large trait variation associated with intraspecific barley diversity and interspecific weed diversity, respectively. The different effects of intra- vs interspecific diversity highlight the underestimated and overlooked role of genetic diversity for ecosystem functioning. © 2014 The Authors New Phytologist © 2014 New Phytologist Trust.

Pressurized fluidized-bed hydroretorting of Eastern oil shales -- Sulfur control. Topical report for Subtask 3.1, In-bed sulfur capture tests; Subtask 3.2, Electrostatic desulfurization; Subtask 3.3, Microbial desulfurization and denitrification

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

Roberts, M.J.; Abbasian, J.; Akin, C.

1992-05-01

This topical report on ``Sulfur Control`` presents the results of work conducted by the Institute of Gas Technology (IGT), the Illinois Institute of Technology (IIT), and the Ohio State University (OSU) to develop three novel approaches for desulfurization that have shown good potential with coal and could be cost-effective for oil shales. These are (1) In-Bed Sulfur Capture using different sorbents (IGT), (2) Electrostatic Desulfurization (IIT), and (3) Microbial Desulfurization and Denitrification (OSU and IGT). The objective of the task on In-Bed Sulfur Capture was to determine the effectiveness of different sorbents (that is, limestone, calcined limestone, dolomite, and siderite)more » for capturing sulfur (as H{sub 2}S) in the reactor during hydroretorting. The objective of the task on Electrostatic Desulfurization was to determine the operating conditions necessary to achieve a high degree of sulfur removal and kerogen recovery in IIT`s electrostatic separator. The objectives of the task on Microbial Desulfurization and Denitrification were to (1) isolate microbial cultures and evaluate their ability to desulfurize and denitrify shale, (2) conduct laboratory-scale batch and continuous tests to improve and enhance microbial removal of these components, and (3) determine the effects of processing parameters, such as shale slurry concentration, solids settling characteristics, agitation rate, and pH on the process.« less

IMPROVED TEST METHODS FOR ELECTRONIC AIR CLEANERS

EPA Science Inventory

The objective of this project was to develop a fractional filtration efficiency test protocol for residential electrostatic precipitators (ESPs) that avoids the limitations of the ASHRAE 52.2 method. Specifically, the objectives were to a) determine the change in efficiency that ...

The influence of actuator materials and nozzle designs on electrostatic charge of pressurised metered dose inhaler (pMDI) formulations.

PubMed

Chen, Yang; Young, Paul M; Fletcher, David F; Chan, Hak Kim; Long, Edward; Lewis, David; Church, Tanya; Traini, Daniela

2014-05-01

To investigate the influence of different actuator materials and nozzle designs on the electrostatic charge properties of a series of solution metered dose inhaler (pMDI) aerosols. Actuators were manufactured with flat and cone nozzle designs using five different materials from the triboelectric series (Nylon, Polyethylene terephthalate, Polyethylene-High density, Polypropylene copolymer and Polytetrafluoroethylene). The electrostatic charge profiles of pMDI containing beclomethasone dipropionate (BDP) as model drug in HFA-134a propellant, with different concentrations of ethanol were studied. Electrostatic measurements were taken using a modified electrical low-pressure impactor (ELPI) and the deposited drug mass assayed chemically using HPLC. The charge profiles of HFA 134a alone have shown strong electronegativity with all actuator materials and nozzle designs, at an average of -1531.34 pC ± 377.34. The presence of co-solvent ethanol significantly reduced the negative charge magnitude. BDP reduced the suppressing effect of ethanol on the negative charging of the propellant. For all tested formulations, the flat nozzle design showed no significant differences in net charge between different actuator materials, whereas the charge profiles of cone designs followed the triboelectric series. The electrostatic charging profiles from a solution pMDI containing BDP and ethanol can be significantly influenced by the actuator material, nozzle design and formulation components. Ethanol concentration appears to have the most significant impact. Furthermore, BDP interactions with ethanol and HFA have an influence on the electrostatic charge of aerosols. By choosing different combinations of actuator materials and orifice design, the fine particle fractions of formulations can be altered.

Ras signaling requires dynamic properties of Ets1 for phosphorylation-enhanced binding to coactivator CBP.

PubMed

Nelson, Mary L; Kang, Hyun-Seo; Lee, Gregory M; Blaszczak, Adam G; Lau, Desmond K W; McIntosh, Lawrence P; Graves, Barbara J

2010-06-01

Ras/MAPK signaling is often aberrantly activated in human cancers. The downstream effectors are transcription factors, including those encoded by the ETS gene family. Using cell-based assays and biophysical measurements, we have determined the mechanism by which Ras/MAPK signaling affects the function of Ets1 via phosphorylation of Thr38 and Ser41. These ERK2 phosphoacceptors lie within the unstructured N-terminal region of Ets1, immediately adjacent to the PNT domain. NMR spectroscopic analyses demonstrated that the PNT domain is a four-helix bundle (H2-H5), resembling the SAM domain, appended with two additional helices (H0-H1). Phosphorylation shifted a conformational equilibrium, displacing the dynamic helix H0 from the core bundle. The affinity of Ets1 for the TAZ1 (or CH1) domain of the coactivator CBP was enhanced 34-fold by phosphorylation, and this binding was sensitive to ionic strength. NMR-monitored titration experiments mapped the interaction surfaces of the TAZ1 domain and Ets1, the latter encompassing both the phosphoacceptors and PNT domain. Charge complementarity of these surfaces indicate that electrostatic forces act in concert with a conformational equilibrium to mediate phosphorylation effects. We conclude that the dynamic helical elements of Ets1, appended to a conserved structural core, constitute a phospho-switch that directs Ras/MAPK signaling to downstream changes in gene expression. This detailed structural and mechanistic information will guide strategies for targeting ETS proteins in human disease.

Dependence of the quark-lepton complementarity on parametrizations of the Cabibbo-Kobayashi-Maskawa and Pontecorvo-Maki-Nakagawa-Sakata matrices

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

Zheng Yajuan

2010-04-01

The quark-lepton complementarity (QLC) is very suggestive in understanding possible relations between quark and lepton mixing matrices. We explore the QLC relations in all the possible angle-phase parametrizations and point out that they can approximately hold in five parametrizations. Furthermore, the vanishing of the smallest mixing angles in the Cabibbo-Kobayashi-Maskawa and Pontecorvo-Maki-Nakagawa-Sakata matrices can make sure that the QLC relations exactly hold in those five parametrizations. Finally, the sensitivity of the QLC relations to radiative corrections is also discussed.

Dark-matter decay as a complementary probe of multicomponent dark sectors.

PubMed

Dienes, Keith R; Kumar, Jason; Thomas, Brooks; Yaylali, David

2015-02-06

In single-component theories of dark matter, the 2→2 amplitudes for dark-matter production, annihilation, and scattering can be related to each other through various crossing symmetries. The detection techniques based on these processes are thus complementary. However, multicomponent theories exhibit an additional direction for dark-matter complementarity: the possibility of dark-matter decay from heavier to lighter components. We discuss how this new detection channel may be correlated with the others, and demonstrate that the enhanced complementarity which emerges can be an important ingredient in probing and constraining the parameter spaces of such models.

Health, Enterprise, and Labor Complementarity in the Household*

PubMed Central

Adhvaryu, Achyuta; Nyshadham, Anant

2017-01-01

We study the role of household enterprise as a coping mechanism after health shocks. Using variation in the cost of traveling to formal sector health facilities to predict recovery from acute illness in Tanzania, we show that individuals with prolonged illness switch from farm labor to enterprise activity. This response occurs along both the extensive (entry) and intensive (capital stock and labor supply) margins. Family members who are not ill exhibit exactly the same pattern of responses. Deriving a simple extension to the canonical agricultural household model, we show that our results suggest complementarities in household labor. PMID:28943705

Characterization of gigahertz (GHz) bandwidth photomultipliers

NASA Technical Reports Server (NTRS)

Abshire, J. B.; Rowe, H. E.

1977-01-01

The average impulse response, root-mean-square times jitter as a function of signal level, single photoelectron distribution, and multiphotoelectron dark-count distribution have been measured for two static crossed-field and five electrostatic photomultipliers. The optical signal source for the first three of these tests was a 30 picosecond mode-locked laser pulse at 0.53 micron. The static crossed-field detectors had 2-photoelectron resolution, less than 200 ps rise times, and rms time jitters of 30 ps at the single photoelectron level. The electrostatic photomultipliers had rise times from 1 to 2.5 nanoseconds, and rms time jitters from 160 to 650 ps at the same signal level. The two static crossed-field photomultipliers had ion-feedback-generated dark pulses to the 50-photoelectron level, whereas one electrostatic photomultiplier had dark pulses to the 30-photoelectron level.

Electric Fields and Enzyme Catalysis

PubMed Central

Fried, Stephen D.; Boxer, Steven G.

2017-01-01

What happens inside an enzyme’s active site to allow slow and difficult chemical reactions to occur so rapidly? This question has occupied biochemists’ attention for a long time. Computer models of increasing sophistication have predicted an important role for electrostatic interactions in enzymatic reactions, yet this hypothesis has proved vexingly difficult to test experimentally. Recent experiments utilizing the vibrational Stark effect make it possible to measure the electric field a substrate molecule experiences when bound inside its enzyme’s active site. These experiments have provided compelling evidence supporting a major electrostatic contribution to enzymatic catalysis. Here, we review these results and develop a simple model for electrostatic catalysis that enables us to incorporate disparate concepts introduced by many investigators to describe how enzymes work into a more unified framework stressing the importance of electric fields at the active site. PMID:28375745

2D Electrostatic Actuation of Microshutter Arrays

NASA Technical Reports Server (NTRS)

Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Kelly, Daniel P.; Kutyrev, Alexander S.; Moseley, Samuel H.

2015-01-01

Electrostatically actuated microshutter arrays consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutters demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

2D Electrostatic Actuation of Microshutter Arrays

NASA Technical Reports Server (NTRS)

Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Jones, Justin S.; Kelly, Daniel P.; Zheng, Yun; Kutyrev, Alexander S.; Moseley, Samuel H.

2015-01-01

An electrostatically actuated microshutter array consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutter arrays demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

A rapid boundary integral equation technique for protein electrostatics

NASA Astrophysics Data System (ADS)

Grandison, Scott; Penfold, Robert; Vanden-Broeck, Jean-Marc

2007-06-01

A new boundary integral formulation is proposed for the solution of electrostatic field problems involving piecewise uniform dielectric continua. Direct Coulomb contributions to the total potential are treated exactly and Green's theorem is applied only to the residual reaction field generated by surface polarisation charge induced at dielectric boundaries. The implementation shows significantly improved numerical stability over alternative schemes involving the total field or its surface normal derivatives. Although strictly respecting the electrostatic boundary conditions, the partitioned scheme does introduce a jump artefact at the interface. Comparison against analytic results in canonical geometries, however, demonstrates that simple interpolation near the boundary is a cheap and effective way to circumvent this characteristic in typical applications. The new scheme is tested in a naive model to successfully predict the ground state orientation of biomolecular aggregates comprising the soybean storage protein, glycinin.

Characterizing the Perfonnance of the Wheel Electrostatic Spectrometer

NASA Technical Reports Server (NTRS)

Johansen, Michael R.; Mackey, P. J.; Holbert, E.; Clements, J. S.; Calle, C. I.

2013-01-01

A Wheel Electrostatic Spectrometer has been developed as a surveying tool to be incorporated into a planetary rover design. Electrostatic sensors with various protruding cover insulators are embedded into a prototype rover wheel. When these insulators come into contact with a surface, a charge develops on the cover insulator through tribocharging. A charge spectrum is created by analyzing the accumulated charge on each of the dissimilar cover insulators. We eventually intend to prove charge spectra can be used o determine differences in planetary regolith properties. We tested the effects of residual surface charge on the cover insulators and discovered a need to discharge the sensor cover insulators after each revolution. We proved the repeatability of the measurements for this sensor package and found that the sensor repeatability lies within one standard deviation of the noise in the signal.

Precise energy eigenvalues of hydrogen-like ion moving in quantum plasmas

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

Dutta, S.; Saha, Jayanta K.; Mukherjee, T. K.

2015-06-15

The analytic form of the electrostatic potential felt by a slowly moving test charge in quantum plasma is developed. It has been shown that the electrostatic potential is composed of two parts: the Debye-Huckel screening term and the near-field wake potential. The latter depends on the velocity of the test charge as well as on the number density of the plasma electrons. Rayleigh-Ritz variational calculation has been done to estimate precise energy eigenvalues of hydrogen-like carbon ion under such plasma environment. A detailed analysis shows that the energy levels gradually move to the continuum with increasing plasma electron density whilemore » the level crossing phenomenon has been observed with the variation of ion velocity.« less

Design and validation of a high-voltage levitation circuit for electrostatic accelerometers

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

Li, G.; Wu, S. C.; Zhou, Z. B.

2013-12-15

A simple high-voltage circuit with a voltage range of 0 to 900 V and an open-loop bandwidth of 11 kHz is realized by using an operational amplifier and a MOSFET combination. The circuit is used for the levitation of a test mass of 71 g, suspended below the top-electrodes with a gap distance of 57 μm, so that the performance of an electrostatic accelerometer can be tested on the ground. The translation noise of the accelerometer, limited by seismic noise, is about 4 × 10{sup −8} m/s{sup 2}/Hz{sup 1/2} at 0.1 Hz, while the high-voltage coupling noise is one-order ofmore » magnitude lower.« less

Thin film fabrication and system integration test run for a microactuator for a tuneable lens

NASA Astrophysics Data System (ADS)

Hoheisel, Dominik; Rissing, Lutz

2014-03-01

An electromagnetic microactuator, for controlling of a tuneable lens, with an integrated electrostatic element is fabricated by thin film technology. The actuator consists of two parts: the first part with microcoil and flux guide and the second part with a ring shaped back iron on a polyimide membrane. The back iron is additionally useable as electrode for electrostatic measurement of the air gap and for electrostatic actuation. By attracting the back iron an optical liquid is displaced and forms a liquid lens inside the back iron ring covered by the membrane. For testing the thin film fabrication sequence, up-scaled systems are generated in a test run. To fabricate the flux guide in an easy and quick way, a Ni-Fe foil with a thickness of 50 μm is laminated on the Si-wafer. This foil is also utilized in the following fabrication sequence as seed layer for electroplating. Compared to Ni-Fe structures deposited by electroplating, the foil is featuring better soft magnetic properties. The foil is structured by wet chemical etching and the backside of the wafer is structured by deep reactive ion etching (DRIE). For post fabrication thinning, the polyimide membrane is treated by oxygen plasma etching. To align the back iron to the microcoil and the flux guide, a flip-chip-bonder is used during test run of system integration. To adjust a constant air gap, a water solvable polymer is tested. A two component epoxy and a polyimide based glue are compared for their bonding properties of the actuator parts.

Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.

PubMed

Wallace, Jason A; Shen, Jana K

2012-11-14

Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pK(a) values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future.

Role of Electrostatics in Protein-RNA Binding: The Global vs the Local Energy Landscape.

PubMed

Ghaemi, Zhaleh; Guzman, Irisbel; Gnutt, David; Luthey-Schulten, Zaida; Gruebele, Martin

2017-09-14

U1A protein-stem loop 2 RNA association is a basic step in the assembly of the spliceosomal U1 small nuclear ribonucleoprotein. Long-range electrostatic interactions due to the positive charge of U1A are thought to provide high binding affinity for the negatively charged RNA. Short range interactions, such as hydrogen bonds and contacts between RNA bases and protein side chains, favor a specific binding site. Here, we propose that electrostatic interactions are as important as local contacts in biasing the protein-RNA energy landscape toward a specific binding site. We show by using molecular dynamics simulations that deletion of two long-range electrostatic interactions (K22Q and K50Q) leads to mutant-specific alternative RNA bound states. One of these states preserves short-range interactions with aromatic residues in the original binding site, while the other one does not. We test the computational prediction with experimental temperature-jump kinetics using a tryptophan probe in the U1A-RNA binding site. The two mutants show the distinct predicted kinetic behaviors. Thus, the stem loop 2 RNA has multiple binding sites on a rough RNA-protein binding landscape. We speculate that the rough protein-RNA binding landscape, when biased to different local minima by electrostatics, could be one way that protein-RNA interactions evolve toward new binding sites and novel function.

Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH

PubMed Central

Wallace, Jason A.; Shen, Jana K.

2012-01-01

Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pKa values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future. PMID:23163362

Imminent Engine Failure Probe Investigation.

DTIC Science & Technology

probe signature determination, development of data recording techniques, accumulation of data during durability testing of T56 or TF41 engines and...any other opportunistic gas turbine engine test. The electrostatic probe demonstrated some capability to detect engine distress in TF41 and T56 engines

Dispersion of Co/CNTs via strong electrostatic adsorption method: Thermal treatment effect

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

Akbarzadeh, Omid, E-mail: omid.akbarzadeh63@gmail.com; Abdullah, Bawadi, E-mail: bawadi-abdullah@petronas.com.my; Subbarao, Duvvuri, E-mail: duvvuri-subbarao@petronas.com.my

The effect of different thermal treatment temperature on the structure of multi-walled carbon nanotubes (MWCNTs) and Co particle dispersion on CNTs support is studied using Strong electrostatic adsorption (SEA) method. The samples tested by N{sub 2}-adsorption, field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). N{sub 2}-adsorption results showed BET surface area increased using thermal treatment and TEM images showed that increasing the thermal treatment temperature lead to flaky CNTs and defects introduced on the outer surface and Co particle dispersion increased.

Surface measuring technique. [using a laser to scan the surface of a reflector

NASA Technical Reports Server (NTRS)

Spiers, R. B., Jr.

1980-01-01

Measurement of the surface contour of a large electrostatically formed concave reflector using a modified Foucault or knife edge test is described. The curve of the actual electrostatically formed reflector surface is compared to a curve representing a reference sphere. Measurements of surface slope and deviation are calculated every 15 cm along the reflector's horizontal and vertical diameters. Characterization of surface roughness on a small scale compared to the laser spot size at the reflector are obtained from the increased laser spot size at a distant projection screen.

Electromagnetic environmental criteria for US Army missile systems - EMC, EMR, EMI, EMP, ESD, and lightning

NASA Astrophysics Data System (ADS)

Ponds, Charles D.; Knaur, James A.

1988-01-01

This paper presents the design and test requirements in developing an electromagnetic compatibility missile system. Environmental levels are presented for electromagnetic radiation hazards, electromagnetic radiation operational, electrostatic discharge, lightning, and electromagnetic pulse (nuclear). Testing techniques and facility capabilities are presented for research and development testing of missile systems.

Evaluation of an Electrostatic Dust Removal System with Potential Application in Next-Step Fusion Devices

NASA Technical Reports Server (NTRS)

Friesen, F. Q. L.; John, B.; Skinner, C. H.; Roquemore, A. L.; Calle, C. I.

2011-01-01

The ability to manage inventories of carbon, tritium, and high-Z elements in fusion plasmas depends on means for effective dust removal. A dust conveyor, based on a moving electrostatic potential well, was tested with particles of tungsten, carbon, glass and sand. A digital microscope imaged a representative portion of the conveyor, and dust particle size and volume distributions were derived before and after operation. About 10 cu mm volume of carbon and tungsten particles were moved in under 5 seconds. The highest driving amplitude tested of 3 kV was the most effective. The optimal driving frequency was 210 Hz (maximum tested) for tungsten particles, decreasing to below 60 Hz for the larger sand particles. Measurements of particle size and volume distributions after 10 and 100 cycles show the breaking apart of agglomerated carbon, and the change in particle distribution over short timescales 1 s).

The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations.

PubMed

Kato, Mitsunori; Pisliakov, Andrei V; Warshel, Arieh

2006-09-01

The origin of the barrier for proton transport through the aquaporin channel is a problem of general interest. It is becoming increasingly clear that this barrier is not attributable to the orientation of the water molecules across the channel but rather to the electrostatic penalty for moving the proton charge to the center of the channel. However, the reason for the high electrostatic barrier is still rather controversial. It has been argued by some workers that the barrier is due to the so-called NPA motif and/or to the helix macrodipole or to other specific elements. However, our works indicated that the main reason for the high barrier is the loss of the generalized solvation upon moving the proton charge from the bulk to the center of the channel and that this does not reflect a specific repulsive electrostatic interaction but the absence of sufficient electrostatic stabilization. At this stage it seems that the elucidation and clarification of the origin of the electrostatic barrier can serve as an instructive test case for electrostatic models. Thus, we reexamine the free-energy surface for proton transport in aquaporins using the microscopic free-energy perturbation/umbrella sampling (FEP/US) and the empirical valence bond/umbrella sampling (EVB/US) methods as well as the semimacroscopic protein dipole Langevin dipole model in its linear response approximation version (the PDLD/S-LRA). These extensive studies help to clarify the nature of the barrier and to establish the "reduced solvation effect" as the primary source of this barrier. That is, it is found that the barrier is associated with the loss of the generalized solvation energy (which includes of course all electrostatic effects) upon moving the proton charge from the bulk solvent to the center of the channel. It is also demonstrated that the residues in the NPA region and the helix dipole cannot be considered as the main reasons for the electrostatic barrier. Furthermore, our microscopic and semimacroscopic studies clarify the problems with incomplete alternative calculations, illustrating that the effects of various electrostatic elements are drastically overestimated by macroscopic calculations that use a low dielectric constant and do not consider the protein reorganization. Similarly, it is pointed out that microscopic potential of mean force calculations that do not evaluate the electrostatic barrier relative to the bulk water cannot be used to establish the origin of the electrostatic barrier. The relationship between the present study and calculations of pK(a)s in protein interiors is clarified, pointing out that approaches that are applied to study the aquaporin barrier should be validated by pK(a)s calculations. Such calculations also help to clarify the crucial role of solvation energies in establishing the barrier in aquaporins. (c) 2006 Wiley-Liss, Inc.

Development of a Simple Electron Transfer and Polarization Model and Its Application to Biological Systems.

PubMed

Diller, David J

2017-01-10

Here we present a new method for point charge calculation which we call Q ET (charges by electron transfer). The intent of this work is to develop a method that can be useful for studying charge transfer in large biological systems. It is based on the intuitive framework of the Q EQ method with the key difference being that the Q ET method tracks all pairwise electron transfers by augmenting the Q EQ pseudoenergy function with a distance dependent cost function for each electron transfer. This approach solves the key limitation of the Q EQ method which is its handling of formally charged groups. First, we parametrize the Q ET method by fitting to electrostatic potentials calculated using ab initio quantum mechanics on over 11,000 small molecules. On an external test set of over 2500 small molecules the Q ET method achieves a mean absolute error of 1.37 kcal/mol/electron when compared to the ab initio electrostatic potentials. Second, we examine the conformational dependence of the charges on over 2700 tripeptides. With the tripeptide data set, we show that the conformational effects account for approximately 0.4 kcal/mol/electron on the electrostatic potentials. Third, we test the Q ET method for its ability to reproduce the effects of polarization and electron transfer on 1000 water clusters. For the water clusters, we show that the Q ET method captures about 50% of the polarization and electron transfer effects. Finally, we examine the effects of electron transfer and polarizability on the electrostatic interaction between p38 and 94 small molecule ligands. When used in conjunction with the Generalized-Born continuum solvent model, polarization and electron transfer with the Q ET model lead to an average change of 17 kcal/mol on the calculated electrostatic component of ΔG.

Are electrostatic potentials between regions of different chemical composition measurable? The Gibbs-Guggenheim Principle reconsidered, extended and its consequences revisited.

PubMed

Pethica, Brian A

2007-12-21

As indicated by Gibbs and made explicit by Guggenheim, the electrical potential difference between two regions of different chemical composition cannot be measured. The Gibbs-Guggenheim Principle restricts the use of classical electrostatics in electrochemical theories as thermodynamically unsound with some few approximate exceptions, notably for dilute electrolyte solutions and concomitant low potentials where the linear limit for the exponential of the relevant Boltzmann distribution applies. The Principle invalidates the widespread use of forms of the Poisson-Boltzmann equation which do not include the non-electrostatic components of the chemical potentials of the ions. From a thermodynamic analysis of the parallel plate electrical condenser, employing only measurable electrical quantities and taking into account the chemical potentials of the components of the dielectric and their adsorption at the surfaces of the condenser plates, an experimental procedure to provide exceptions to the Principle has been proposed. This procedure is now reconsidered and rejected. No other related experimental procedures circumvent the Principle. Widely-used theoretical descriptions of electrolyte solutions, charged surfaces and colloid dispersions which neglect the Principle are briefly discussed. MD methods avoid the limitations of the Poisson-Bolzmann equation. Theoretical models which include the non-electrostatic components of the inter-ion and ion-surface interactions in solutions and colloid systems assume the additivity of dispersion and electrostatic forces. An experimental procedure to test this assumption is identified from the thermodynamics of condensers at microscopic plate separations. The available experimental data from Kelvin probe studies are preliminary, but tend against additivity. A corollary to the Gibbs-Guggenheim Principle is enunciated, and the Principle is restated that for any charged species, neither the difference in electrostatic potential nor the sum of the differences in the non-electrostatic components of the thermodynamic potential difference between regions of different chemical compositions can be measured.

Passive radon/thoron personal dosimeter using an electrostatic collector and a diffused-junction detector

NASA Astrophysics Data System (ADS)

Bigu, J.; Raz, R.

1985-01-01

A solid-state alpha dosimeter has been designed and tested suitable for personal and environmental radon/thoron monitoring. The dosimeter basically consists of an electrostatic collector and an alpha-particle counting system with spectroscopy capabilities. The sensitive volume (˜20 cm3) of the electrostatic collector consists of a cylindrically shaped metal wire screen and a diffused-junction silicon alpha-detector covered with a thin aluminized Mylar sheet. A dc voltage (˜500 V) is applied between the wire screen and the Mylar sheet, with the latter held at negative potential relative to the former. Data can be retrieved during or after sampling by means of a microcomputer (Epson HX20) via a RS-232 communication interface unit. The dosimeter has been calibrated in a large (26 m3) radon/thoron test facility. A linear relationship was found between the dosimeter's alpha-count and both radon gas concentration and radon daughter working level. The dosimeter is mounted on top of an ordinary miner's cap lamp battery and is ideally suited for personal monitoring in underground uranium mines and other working areas. The dosimeter presented here is a considerably improved version of an earlier prototype.

Burn Rate Modification with Carborane Polymers

DTIC Science & Technology

2017-11-01

test, ARDEC electrostatic discharge test, and DSC analysis of the small-scale runs were performed to ensure the products were safe to handle. Once...Accessions Division 8725 John J. Kingman Road, Ste 0944 Fort Belvoir, VA 22060-6218 GIDEP Operations Center P.O. Box 8000 Corona , CA

Experimental system for the control of surgically induced infections

NASA Technical Reports Server (NTRS)

Tevebaugh, M. D.

1971-01-01

The development tests to be performed on the experimental system are described in detail. The test equipment, conditions, and procedures are given. The portable clean room tests include assembly, collapsability, portability, and storage; laminar flow rate; static pressure; air flow pattern; and electrostatic buildup. The other tests are on the ventilation system, human factors evaluation, electrical subsystem, and material compatibility.

Submersion Quenching of Undercooled Liquid Metals in an Electrostatic Levitator

NASA Technical Reports Server (NTRS)

SanSoucie, Michael P.; Rogers, Jan R.

2016-01-01

The NASA Marshall Space Flight Center (MSFC) electrostatic levitation (ESL) laboratory has a long history of providing materials research and thermophysical property data. The laboratory has recently added a new capability, a rapid quench system. This system allows samples to be dropped into a quench vessel that can be filled with a low melting point material, such as a gallium or indium alloy. Thereby allowing rapid quenching of undercooled liquid metals and alloys. This is the first submersion quench system inside an electrostatic levitator. The system has been tested successfully with samples of zirconium, iron-cobalt alloys, titanium-zirconium-nickel alloys, and silicon-cobalt alloys. This rapid quench system will allow materials science studies of undercooled materials and new materials development, including studies of metastable phases and transient microstructures. In this presentation, the system is described and some initial results are presented.

Improvement of energy conversion effectiveness and maximum output power of electrostatic induction-type MEMS energy harvesters by using symmetric comb-electrode structures

NASA Astrophysics Data System (ADS)

Honma, H.; Mitsuya, H.; Hashiguchi, G.; Fujita, H.; Toshiyoshi, H.

2018-06-01

We introduce symmetric comb-electrode structures for the electrostatic vibrational MEMS energy harvester to lower the electrostatic constraint force attributed to the built-in electret potential, thereby allowing the harvester device to operate in a small acceleration range of 0.05 g or lower (1 g  =  9.8 m s‑2). Given the same device structure, two different potentials for the electret are tested to experimentally confirm that the output induction current is enhanced 4.2 times by increasing the electret potential from  ‑60 V to  ‑250 V. At the same time, the harvester effectiveness has been improved to as high as 93%. The device is used to swiftly charge a 470 µF storage capacitor to 3.3 V in 120 s from small sinusoidal vibrations of 0.6 g at 124 Hz.

Determination of Electron Optical Properties for Aperture Zoom Lenses Using an Artificial Neural Network Method.

PubMed

Isik, Nimet

2016-04-01

Multi-element electrostatic aperture lens systems are widely used to control electron or charged particle beams in many scientific instruments. By means of applied voltages, these lens systems can be operated for different purposes. In this context, numerous methods have been performed to calculate focal properties of these lenses. In this study, an artificial neural network (ANN) classification method is utilized to determine the focused/unfocused charged particle beam in the image point as a function of lens voltages for multi-element electrostatic aperture lenses. A data set for training and testing of ANN is taken from the SIMION 8.1 simulation program, which is a well known and proven accuracy program in charged particle optics. Mean squared error results of this study indicate that the ANN classification method provides notable performance characteristics for electrostatic aperture zoom lenses.

Investigation of spray dispersion and particulate formation in diesel fuel flames

NASA Technical Reports Server (NTRS)

Back, L. H.; Bankston, C. P.; Kwack, E. Y.; Bellan, J.; Harstad, K.

1988-01-01

An experimental study of electrostatical atomized and dispersed diesel fuel jets was conducted at various back pressures to 40 atm. A new electrostatic injection technique was utilized to generate continuous, stable fuel sprays at charge densities of 1.5 to 2.0 C/m3 of fluid at one atm, and about 1.0 C/m3 at 40 atm. Flowrates were varied from 0.5 to 2.5 ml/s and electric potentials to -18 kV. Visual observations showed that significant enhanced dispersion of charged fuel jets occurred at high back pressures compared to aerodynamic breakup and dispersion. The average drop size was about the same as the spray triode orifice diameter, and was between the Kelly theory and the Rayleigh limit. The ignition tests, done only at one atm, indicated stable combustion of the electrostatically dispersed fuel jets.

PCE: web tools to compute protein continuum electrostatics

PubMed Central

Miteva, Maria A.; Tufféry, Pierre; Villoutreix, Bruno O.

2005-01-01

PCE (protein continuum electrostatics) is an online service for protein electrostatic computations presently based on the MEAD (macroscopic electrostatics with atomic detail) package initially developed by D. Bashford [(2004) Front Biosci., 9, 1082–1099]. This computer method uses a macroscopic electrostatic model for the calculation of protein electrostatic properties, such as pKa values of titratable groups and electrostatic potentials. The MEAD package generates electrostatic energies via finite difference solution to the Poisson–Boltzmann equation. Users submit a PDB file and PCE returns potentials and pKa values as well as color (static or animated) figures displaying electrostatic potentials mapped on the molecular surface. This service is intended to facilitate electrostatics analyses of proteins and thereby broaden the accessibility to continuum electrostatics to the biological community. PCE can be accessed at . PMID:15980492

Genetic programming over context-free languages with linear constraints for the knapsack problem: first results.

PubMed

Bruhn, Peter; Geyer-Schulz, Andreas

2002-01-01

In this paper, we introduce genetic programming over context-free languages with linear constraints for combinatorial optimization, apply this method to several variants of the multidimensional knapsack problem, and discuss its performance relative to Michalewicz's genetic algorithm with penalty functions. With respect to Michalewicz's approach, we demonstrate that genetic programming over context-free languages with linear constraints improves convergence. A final result is that genetic programming over context-free languages with linear constraints is ideally suited to modeling complementarities between items in a knapsack problem: The more complementarities in the problem, the stronger the performance in comparison to its competitors.

Structure—activity relationships for insecticidal carbamates*

PubMed Central

Metcalf, Robert L.

1971-01-01

Carbamate insecticides are biologically active because of their structural complementarity to the active site of acetylcholinesterase (AChE) and their consequent action as substrates with very low turnover numbers. Carbamates behave as synthetic neurohormones that produce their toxic action by interrupting the normal action of AChE so that acetylcholine accumulates at synaptic junctions. The necessary properties for a suitable insecticidal carbamate are lipid solubility, suitable structural complementarity to AChE, and sufficient stability to multifunction-oxidase detoxification. The relationships between the structure and the activity of a large number of synthetic carbamates are analysed in detail, with particular attention to the second of these properties. PMID:5315358

Open-quantum-systems approach to complementarity in neutral-kaon interferometry

NASA Astrophysics Data System (ADS)

de Souza, Gustavo; de Oliveira, J. G. G.; Varizi, Adalberto D.; Nogueira, Edson C.; Sampaio, Marcos D.

2016-12-01

In bipartite quantum systems, entanglement correlations between the parties exerts direct influence in the phenomenon of wave-particle duality. This effect has been quantitatively analyzed in the context of two qubits by Jakob and Bergou [Opt. Commun. 283, 827 (2010), 10.1016/j.optcom.2009.10.044]. Employing a description of the K -meson propagation in free space where its weak decay states are included as a second party, we study here this effect in the kaon-antikaon oscillations. We show that a new quantitative "triality" relation holds, similar to the one considered by Jakob and Bergou. In our case, it relates the distinguishability between the decay-product states corresponding to the distinct kaon propagation modes KS, KL, the amount of wave-like path interference between these states, and the amount of entanglement given by the reduced von Neumann entropy. The inequality can account for the complementarity between strangeness oscillations and lifetime information previously considered in the literature, therefore allowing one to see how it is affected by entanglement correlations. As we will discuss, it allows one to visualize clearly through the K0-K ¯0 oscillations the fundamental role of entanglement in quantum complementarity.

Plant genotypic diversity reduces the rate of consumer resource utilization

PubMed Central

McArt, Scott H.; Thaler, Jennifer S.

2013-01-01

While plant species diversity can reduce herbivore densities and herbivory, little is known regarding how plant genotypic diversity alters resource utilization by herbivores. Here, we show that an invasive folivore—the Japanese beetle (Popillia japonica)—increases 28 per cent in abundance, but consumes 24 per cent less foliage in genotypic polycultures compared with monocultures of the common evening primrose (Oenothera biennis). We found strong complementarity for reduced herbivore damage among plant genotypes growing in polycultures and a weak dominance effect of particularly resistant genotypes. Sequential feeding by P. japonica on different genotypes from polycultures resulted in reduced consumption compared with feeding on different plants of the same genotype from monocultures. Thus, diet mixing among plant genotypes reduced herbivore consumption efficiency. Despite positive complementarity driving an increase in fruit production in polycultures, we observed a trade-off between complementarity for increased plant productivity and resistance to herbivory, suggesting costs in the complementary use of resources by plant genotypes may manifest across trophic levels. These results elucidate mechanisms for how plant genotypic diversity simultaneously alters resource utilization by both producers and consumers, and show that population genotypic diversity can increase the resistance of a native plant to an invasive herbivore. PMID:23658201

Plant genotypic diversity reduces the rate of consumer resource utilization.

PubMed

McArt, Scott H; Thaler, Jennifer S

2013-07-07

While plant species diversity can reduce herbivore densities and herbivory, little is known regarding how plant genotypic diversity alters resource utilization by herbivores. Here, we show that an invasive folivore--the Japanese beetle (Popillia japonica)--increases 28 per cent in abundance, but consumes 24 per cent less foliage in genotypic polycultures compared with monocultures of the common evening primrose (Oenothera biennis). We found strong complementarity for reduced herbivore damage among plant genotypes growing in polycultures and a weak dominance effect of particularly resistant genotypes. Sequential feeding by P. japonica on different genotypes from polycultures resulted in reduced consumption compared with feeding on different plants of the same genotype from monocultures. Thus, diet mixing among plant genotypes reduced herbivore consumption efficiency. Despite positive complementarity driving an increase in fruit production in polycultures, we observed a trade-off between complementarity for increased plant productivity and resistance to herbivory, suggesting costs in the complementary use of resources by plant genotypes may manifest across trophic levels. These results elucidate mechanisms for how plant genotypic diversity simultaneously alters resource utilization by both producers and consumers, and show that population genotypic diversity can increase the resistance of a native plant to an invasive herbivore.

Climate conditions of the “El Niño” phenomenon for a hydro-eolic complementarity project in peru

NASA Astrophysics Data System (ADS)

Castillo N, Leonardo; Ortega M, Arturo; Luyo, Jaime E.

2018-05-01

Northern Peru is threatened by the consequences of a natural phenomenon called “El Niño”, mainly during the months of December to April. In the summer of 2017, this event reported strong climatic variations with intense rains, increasing the water levels of the Chira and Piura rivers, filling the Poechos reservoir, together with flooding and mudding. However, from an energetic perspective, these climatic alterations have a strong potential to increase the availability of the wind and hydro renewable energies in northern Peru. This work performs an evaluation of the hydro-eolic complementarity as part of the sustainability of energy systems. The study includes evaluation of historical records of wind velocity and water flow rates. It then evaluates correlation, analysis, and estimates the hydro and wind energy potentials generated by this phenomenon. The implications of the "El Niño" phenomenon are mostly negative. Nonetheless, it is possible to take advantage of higher wind and water flow rates with a hybrid energy system. The results obtained show a high degree of complementarity both normal and "El Niño" phenomenon condition in northern Peru.

Beam property measurement of a 300-kV ion source test stand for a 1-MV electrostatic accelerator

NASA Astrophysics Data System (ADS)

Park, Sae-Hoon; Kim, Dae-Il; Kim, Yu-Seok

2016-09-01

The KOMAC (Korea Multi-purpose Accelerator Complex) has been developing a 300-kV ion source test stand for a 1-MV electrostatic accelerator for industrial purposes. A RF ion source was operated at 200 MHz with its matching circuit. The beam profile and emittance were measured behind an accelerating column to confirm the beam property from the RF ion source. The beam profile was measured at the end of the accelerating tube and at the beam dump by using a beam profile monitor (BPM) and wire scanner. An Allison-type emittance scanner was installed behind the beam profile monitor (BPM) to measure the beam density in phase space. The measurement results for the beam profile and emittance are presented in this paper.

High mass resolution, high angular acceptance time-of-flight mass spectroscopy for planetary missions under the Planetary Instrument Definition and Development Program (PIDDP)

NASA Technical Reports Server (NTRS)

Young, David T.

1991-01-01

This final report covers three years and several phases of work in which instrumentation for the Planetary Instrument Definition and Development Program (PIDDP) were successfully developed. There were two main thrusts to this research: (1) to develop and test methods for electrostatically scanning detector field-of-views, and (2) to improve the mass resolution of plasma mass spectrometers to M/delta M approximately 25, their field-of-view (FOV) to 360 degrees, and their E-range to cover approximately 1 eV to 50 keV. Prototypes of two different approaches to electrostatic scanning were built and tested. The Isochronous time-of-flight (TOF) and the linear electric field 3D TOF devices were examined.

Micromachine friction test apparatus

DOEpatents

deBoer, Maarten P.; Redmond, James M.; Michalske, Terry A.

2002-01-01

A microelectromechanical (MEM) friction test apparatus is disclosed for determining static or dynamic friction in MEM devices. The friction test apparatus, formed by surface micromachining, is based on a friction pad supported at one end of a cantilevered beam, with the friction pad overlying a contact pad formed on the substrate. A first electrostatic actuator can be used to bring a lower surface of the friction pad into contact with an upper surface of the contact pad with a controlled and adjustable force of contact. A second electrostatic actuator can then be used to bend the cantilevered beam, thereby shortening its length and generating a relative motion between the two contacting surfaces. The displacement of the cantilevered beam can be measured optically and used to determine the static or dynamic friction, including frictional losses and the coefficient of friction between the surfaces. The test apparatus can also be used to assess the reliability of rubbing surfaces in MEM devices by producing and measuring wear of those surfaces. Finally, the friction test apparatus, which is small in size, can be used as an in situ process quality tool for improving the fabrication of MEM devices.

S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.

PubMed

Chaudret, Robin; Gresh, Nohad; Narth, Christophe; Lagardère, Louis; Darden, Thomas A; Cisneros, G Andrés; Piquemal, Jean-Philip

2014-09-04

We demonstrate as a proof of principle the capabilities of a novel hybrid MM'/MM polarizable force field to integrate short-range quantum effects in molecular mechanics (MM) through the use of Gaussian electrostatics. This lead to a further gain in accuracy in the representation of the first coordination shell of metal ions. It uses advanced electrostatics and couples two point dipole polarizable force fields, namely, the Gaussian electrostatic model (GEM), a model based on density fitting, which uses fitted electronic densities to evaluate nonbonded interactions, and SIBFA (sum of interactions between fragments ab initio computed), which resorts to distributed multipoles. To understand the benefits of the use of Gaussian electrostatics, we evaluate first the accuracy of GEM, which is a pure density-based Gaussian electrostatics model on a test Ca(II)-H2O complex. GEM is shown to further improve the agreement of MM polarization with ab initio reference results. Indeed, GEM introduces nonclassical effects by modeling the short-range quantum behavior of electric fields and therefore enables a straightforward (and selective) inclusion of the sole overlap-dependent exchange-polarization repulsive contribution by means of a Gaussian damping function acting on the GEM fields. The S/G-1 scheme is then introduced. Upon limiting the use of Gaussian electrostatics to metal centers only, it is shown to be able to capture the dominant quantum effects at play on the metal coordination sphere. S/G-1 is able to accurately reproduce ab initio total interaction energies within closed-shell metal complexes regarding each individual contribution including the separate contributions of induction, polarization, and charge-transfer. Applications of the method are provided for various systems including the HIV-1 NCp7-Zn(II) metalloprotein. S/G-1 is then extended to heavy metal complexes. Tested on Hg(II) water complexes, S/G-1 is shown to accurately model polarization up to quadrupolar response level. This opens up the possibility of embodying explicit scalar relativistic effects in molecular mechanics thanks to the direct transferability of ab initio pseudopotentials. Therefore, incorporating GEM-like electron density for a metal cation enable the introduction of nonambiguous short-range quantum effects within any point-dipole based polarizable force field without the need of an extensive parametrization.

A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water

NASA Astrophysics Data System (ADS)

Mathias, Gerald; Egwolf, Bernhard; Nonella, Marco; Tavan, Paul

2003-06-01

We present a combination of the structure adapted multipole method with a reaction field (RF) correction for the efficient evaluation of electrostatic interactions in molecular dynamics simulations under periodic boundary conditions. The algorithm switches from an explicit electrostatics evaluation to a continuum description at the maximal distance that is consistent with the minimum image convention, and, thus, avoids the use of a periodic electrostatic potential. A physically motivated switching function enables charge clusters interacting with a given charge to smoothly move into the solvent continuum by passing through the spherical dielectric boundary surrounding this charge. This transition is complete as soon as the cluster has reached the so-called truncation radius Rc. The algorithm is used to examine the dependence of thermodynamic properties and correlation functions on Rc in the three point transferable intermolecular potential water model. Our test simulations on pure liquid water used either the RF correction or a straight cutoff and values of Rc ranging from 14 Å to 40 Å. In the RF setting, the thermodynamic properties and the correlation functions show convergence for Rc increasing towards 40 Å. In the straight cutoff case no such convergence is found. Here, in particular, the dipole-dipole correlation functions become completely artificial. The RF description of the long-range electrostatics is verified by comparison with the results of a particle-mesh Ewald simulation at identical conditions.

Behavioral economics

PubMed Central

Hursh, Steven R.

1984-01-01

Economics, like behavioral psychology, is a science of behavior, albeit highly organized human behavior. The value of economic concepts for behavioral psychology rests on (1) their empirical validity when tested in the laboratory with individual subjects and (2) their uniqueness when compared to established behavioral concepts. Several fundamental concepts are introduced and illustrated by reference to experimental data: open and closed economies, elastic and inelastic demand, and substitution versus complementarity. Changes in absolute response rate are analyzed in relation to elasticity and intensity of demand. The economic concepts of substitution and complementarity are related to traditional behavioral studies of choice and to the matching relation. The economic approach has many implications for the future of behavioral research and theory. In general, economic concepts are grounded on a dynamic view of reinforcement. The closed-economy methodology extends the generality of behavioral principles to situations in which response rate and obtained rate of reinforcement are interdependent. Analysis of results in terms of elasticity and intensity of demand promises to provide a more direct method for characterizing the effects of “motivational” variables. Future studies of choice should arrange heterogeneous reinforcers with varying elasticities, use closed economies, and modulate scarcity or income. The economic analysis can be extended to the study of performances that involve subtle discriminations or skilled movements that vary in accuracy or quality as opposed to rate or quantity, and thus permit examination of time/accuracy trade-offs. PMID:16812401

Mechanics of inter-modal tunneling in nonlinear waveguides

NASA Astrophysics Data System (ADS)

Jiao, Weijian; Gonella, Stefano

2018-02-01

In this article, we investigate the mechanics of nonlinearly induced inter-modal energy tunneling between flexurally-dominated and axially-dominated modes in phononic waveguides. Special attention is devoted to elucidating the role played by the coupling between axial and flexural degrees of freedom in the determination of the available mode hopping conditions and the associated mechanisms of deformation. Waveguides offer an ideal test bed to investigate the mechanics of nonlinear energy tunneling, due to the fact that they naturally feature, even at low frequencies, families of modes (flexural and axial) that are intrinsically characterized by extreme complementarity. Moreover, thanks to their geometric simplicity, their behavior can be explained by resorting to intuitive structural mechanics models that effectively capture the dichotomy and interplay between flexural and axial mechanisms. After having delineated the fundamental mechanics of flexural-to-axial hopping using the benchmark example of a homogeneous structure, we adapt the analysis to the case of periodic waveguides, in which the complex dispersive behavior due to periodicity results in additional richness of mode hopping mechanisms. We finally extend the analysis to periodic waveguides with internal resonators, in which the availability of locally-resonant bandgaps implies the possibility to activate the resonators even at relatively low frequencies, thus increasing the degree of modal complementarity that is available in the acoustic range. In this context, inter-modal tunneling provides an unprecedented mechanism to transfer conspicuous packets of energy to the resonating microstructure.

Asymmetrical Capacitors for Propulsion and the ISR Asymmetrical Capacitator Thruster, Experimental Results and Improved Designs

NASA Technical Reports Server (NTRS)

Canning, Francis; Winet, Ed; Ice, Bob; Melcher, Cory; Pesavento, Phil; Holmes, Alan; Butler, Carey; Cole, John; Campbell, Jonathan

2004-01-01

The outline of this viewgraph presentation on asymmetrical capacitor thruster development includes: 1) Test apparatus; 2) Devices tested; 3) Circuits used; 4) Data collected (Time averaged, Time resolved); 5) Patterns observed; 6) Force calculation; 7) Electrostatic modeling; 8) Understand it all.

INITIAL TEST RESULTS OF THE LIMESTONE INJECTION MULTISTAGE BURNER (LIMB) DEMONSTRATION PROJECT

EPA Science Inventory

The paper discusses SO2 removal efficiency and low-NOx burner performance obtained during short term tests, as well as the impact of LIMB ash on electrostatic precipitator (ESP) performance at Ohio Edison's Edgewater Station. Project goals are to demonstrate 50% or more SO2 remov...

Project Physics Tests 4, Light and Electromagnetism.

ERIC Educational Resources Information Center

Harvard Univ., Cambridge, MA. Harvard Project Physics.

Test items relating to Project Physics Unit 4 are presented in this booklet. Included are 70 multiple-choice and 22 problem-and-essay questions. Concepts of light and electromagnetism are examined on charges, reflection, electrostatic forces, electric potential, speed of light, electromagnetic waves and radiations, Oersted's and Faraday's work,…

Evaluation of electrostatic precipitator during SRC combustion tests. Final task report Apr--Aug 1977

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

Nichols, G.B.; Barrett, W.J.

1978-07-01

The report deals with the evaluation of an electrostatic precipitator (ESP) and associated environmental factors during the burning of solvent refined coal (SRC) in a boiler at Plant Mitchell of the Georgia Power Company. The effort was part of an overall study of the use of SRC in a full-scale electric power plant. Results of a performance evaluation of the ESP are reported and interpreted. Samples of stack emissions were collected with a Source Assessment Sampling System (SASS) train for chemical analysis: results of the analysis are to be reported later.

Flexible thermoset towpregs by electrostatic powder fusion coating

NASA Technical Reports Server (NTRS)

Yang, Pei-Hua; Varughese, Babu; Muzzy, John D.

1991-01-01

Thermoset prepregs of expoxy and polyimide have been produced by electrostatic deposition of charged fluidized polymer powders on spread continuous fiber tows. The powders are melted onto the fibers by radiant heating to adhere the polymer to the fiber. This process produces towpreg uniformly and rapidly without imposing severe stresses on the fibers. The towpregs produced by this novel process were consolidated to make unidirectional laminates for mechanical testing. Low void content samples have been made and demonstrated by C-scan and scanning electron microscopy. The mechanical properties of unidirectional laminates are equivalent to composites fabricated by conventional techniques.

Electrical torques on the electrostatic gyro in the gyro relativity experiment

NASA Technical Reports Server (NTRS)

Eby, P.; Darbo, W.

1980-01-01

A comprehensive discussion and calculation of electrical torques on an electrostatic gyro as they relate to the gyroscope experiment to test general relativity is presented. Drift rates were computed for some typical state of the art rotors, including higher harmonics in the rotor shape. The effect of orbital averaging of gravity gradient forces, roll averaging of torques, and the effect of spin averaging on the effective shape of the rotor were considered. The electrical torques are reduced sufficiently in a low g environment to permit a measurement of the relativistic drifts predicted by general relativity.

Electrostatic Discharge Test of Multi-Junction Solar Array Coupons After Combined Space Environmental Exposures

NASA Technical Reports Server (NTRS)

Wright, Kenneth H.; Schneider, Todd; Vaughn, Jason; Hoang, Bao; Funderburk, Victor V.; Wong, Frankie; Gardiner, George

2010-01-01

A set of multi-junction GaAs/Ge solar array test coupons were subjected to a sequence of 5-year increments of combined environmental exposure tests. The test coupons capture an integrated design intended for use in a geosynchronous (GEO) space environment. A key component of this test campaign is conducting electrostatic discharge (ESD) tests in the inverted gradient mode. The protocol of the ESD tests is based on the ISO/CD 11221, the ISO standard for ESD testing on solar array panels. This standard is currently in its final review with expected approval in 2010. The test schematic in the ISO reference has been modified with Space System/Loral designed circuitry to better simulate the on-orbit operational conditions of its solar array design. Part of the modified circuitry is to simulate a solar array panel coverglass flashover discharge. All solar array coupons used in the test campaign consist of 4 cells. The ESD tests are performed at the beginning of life (BOL) and at each 5-year environment exposure point. The environmental exposure sequence consists of UV radiation, electron/proton particle radiation, thermal cycling, and ion thruster plume. This paper discusses the coverglass flashover simulation, ESD test setup, and the importance of the electrical test design in simulating the on-orbit operational conditions. Results from 5th-year testing are compared to the baseline ESD characteristics determined at the BOL condition.

The MICROSCOPE experiment, ready for the in-orbit test of the equivalence principle

NASA Astrophysics Data System (ADS)

Touboul, P.; Métris, G.; Lebat, V.; Robert, A.

2012-09-01

Deviations from standard general relativity are being intensively tested in various aspects. The MICROSCOPE space mission, which has recently been approved to be launched in 2016, aims at testing the universality of free fall with an accuracy better than 10-15. The instrument has been developed and most of the sub-systems have been tested to the level required for the detection of accelerations lower than one tenth of a femto-g. Two concentric test masses are electrostatically levitated inside the same silica structure and controlled on the same trajectory at better than 0.1 Å. Any dissymmetry in the measured electrostatic pressures shall be analysed with respect to the Earth's gravity field. The nearly 300 kg heavy dedicated satellite is defined to provide a very steady environment to the experiment and a fine control of its attitude and of its drag-free motion along the orbit. Both the evaluations of the performance of the instrument and the satellite demonstrate the expected test accuracy. The detailed description of the experiment and the major driving parameters of the instrument, the satellite and the data processing are provided in this paper.

Oxidation in the complementarity-determining regions differentially influences the properties of therapeutic antibodies

PubMed Central

Dashivets, Tetyana; Stracke, Jan; Dengl, Stefan; Knaupp, Alexander; Pollmann, Jan; Buchner, Johannes; Schlothauer, Tilman

2016-01-01

ABSTRACT Therapeutic antibodies can undergo a variety of chemical modification reactions in vitro. Depending on the site of modification, either antigen binding or Fc-mediated functions can be affected. Oxidation of tryptophan residues is one of the post-translational modifications leading to altered antibody functionality. In this study, we examined the structural and functional properties of a therapeutic antibody construct and 2 affinity matured variants thereof. Two of the 3 antibodies carry an oxidation-prone tryptophan residue in the complementarity-determining region of the VL domain. We demonstrate the differences in the stability and bioactivity of the 3 antibodies, and reveal differential degradation pathways for the antibodies susceptible to oxidation. PMID:27612038

A novel MEMS inertial switch with a reinforcing rib structure and electrostatic power assist to prolong the contact time

NASA Astrophysics Data System (ADS)

Li, Jian; Wang, Yan; Yang, Zhuoqing; Ding, Guifu; Zhao, Xiaolin; Wang, Hong

2018-03-01

The MEMS inertial switch is widely used in various industries owing to its advantage of small size, high integration, low power consumption and low costs, especially in the timing of Internet of things, such as toys, handheld devices, accessories and vibration testing. This paper provided a novel inertial switch with a reinforcing rib structure and electrostatic power assist. The designed inertial switch can reduce the complexity of the post-processing circuit and broaden its application prospect. The continuous electrostatic force can extend the contact time of the designed inertia switch before the leakage of electricity ends. The moving electrode with a reinforcing rib structure can effectively restrain the bending of the lower surface of moving electrode caused by residual stress. The array-type fixed electrode can ensure stable contact between the electrodes when the device is sensitive to external shocks. The dynamic displacement-time curve can be simulated by the COMSOL finite element simulation software. The laminated plating process is used to produce the designed inertial switch and the drop hammer acceleration monitoring system is used to test the fabricated device. The results indicate that, compared with the traditional design, the bouncing phenomenon can be prevented and extend the contact time to 336μs.

Sustained release vancomycin-coated titanium alloy using a novel electrostatic dry powder coating technique may be a potential strategy to reduce implant-related infection.

PubMed

Han, Jing; Yang, Yi; Lu, Junren; Wang, Chenzhong; Xie, Youtao; Zheng, Xuebin; Yao, Zhenjun; Zhang, Chi

2017-07-24

In order to tackle the implant-related infection, a novel way was developed in this study to coat vancomycin particles mixed with controlled release coating materials onto the surface of titanium alloy by using an electrostatic dry powder coating technique. To characterize this sustained release antibacterial coating, surface morphology, in vitro and in vivo drug release were sequentially evaluated. In vitro cytotoxicity was tested by Cell Counting Kit-8 (CCK-8) assay and cytological changes were observed by inverted microscope. The antibacterial properties against MRSA, including a bacterial growth inhibition assay and a colony-counting test by spread plate method were performed. Results indicated that the vancomycin-coated sample was biocompatible for Human osteoblast cell line MG-63 and displayed effective antibacterial ability against MRSA. The coating film was revealed uniform by scanning electron microscopy. Both the in vitro and in vivo drug release kinetics showed an initially high release rate, followed by an extended period of sustained drug release over 7 days. These results suggest that with good biocompatibility and antibacterial ability, the sustained release antibacterial coating of titanium alloy using our novel electrostatic dry powder coating process may provide a promising candidate for the treatment of orthopedic implant-related infection.

First test of BNL electron beam ion source with high current density electron beam

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

Pikin, Alexander, E-mail: pikin@bnl.gov; Alessi, James G., E-mail: pikin@bnl.gov; Beebe, Edward N., E-mail: pikin@bnl.gov

A new electron gun with electrostatic compression has been installed at the Electron Beam Ion Source (EBIS) Test Stand at BNL. This is a collaborative effort by BNL and CERN teams with a common goal to study an EBIS with electron beam current up to 10 A, current density up to 10,000 A/cm{sup 2} and energy more than 50 keV. Intensive and pure beams of heavy highly charged ions with mass-to-charge ratio < 4.5 are requested by many heavy ion research facilities including NASA Space Radiation Laboratory (NSRL) at BNL and HIE-ISOLDE at CERN. With a multiampere electron gun, themore » EBIS should be capable of delivering highly charged ions for both RHIC facility applications at BNL and for ISOLDE experiments at CERN. Details of the electron gun simulations and design, and the Test EBIS electrostatic and magnetostatic structures with the new electron gun are presented. The experimental results of the electron beam transmission are given.« less

Exploring the speed and performance of molecular replacement with AMPLE using QUARK ab initio protein models.

PubMed

Keegan, Ronan M; Bibby, Jaclyn; Thomas, Jens; Xu, Dong; Zhang, Yang; Mayans, Olga; Winn, Martyn D; Rigden, Daniel J

2015-02-01

AMPLE clusters and truncates ab initio protein structure predictions, producing search models for molecular replacement. Here, an interesting degree of complementarity is shown between targets solved using the different ab initio modelling programs QUARK and ROSETTA. Search models derived from either program collectively solve almost all of the all-helical targets in the test set. Initial solutions produced by Phaser after only 5 min perform surprisingly well, improving the prospects for in situ structure solution by AMPLE during synchrotron visits. Taken together, the results show the potential for AMPLE to run more quickly and successfully solve more targets than previously suspected.

The role of robotics in computer controlled polishing of large and small optics

NASA Astrophysics Data System (ADS)

Walker, David; Dunn, Christina; Yu, Guoyu; Bibby, Matt; Zheng, Xiao; Wu, Hsing Yu; Li, Hongyu; Lu, Chunlian

2015-08-01

Following formal acceptance by ESO of three 1.4m hexagonal off-axis prototype mirror segments, one circular segment, and certification of our optical test facility, we turn our attention to the challenge of segment mass-production. In this paper, we focus on the role of industrial robots, highlighting complementarity with Zeeko CNC polishing machines, and presenting results using robots to provide intermediate processing between CNC grinding and polishing. We also describe the marriage of robots and Zeeko machines to automate currently manual operations; steps towards our ultimate vision of fully autonomous manufacturing cells, with impact throughout the optical manufacturing community and beyond.

Compact electrostatic comb actuator

DOEpatents

Rodgers, M. Steven; Burg, Michael S.; Jensen, Brian D.; Miller, Samuel L.; Barnes, Stephen M.

2000-01-01

A compact electrostatic comb actuator is disclosed for microelectromechanical (MEM) applications. The actuator is based upon a plurality of meshed electrostatic combs, some of which are stationary and others of which are moveable. One or more restoring springs are fabricated within an outline of the electrostatic combs (i.e. superposed with the moveable electrostatic combs) to considerably reduce the space required for the actuator. Additionally, a truss structure is provided to support the moveable electrostatic combs and prevent bending or distortion of these combs due to unbalanced electrostatic forces or external loading. The truss structure formed about the moveable electrostatic combs allows the spacing between the interdigitated fingers of the combs to be reduced to about one micron or less, thereby substantially increasing the number of active fingers which can be provided in a given area. Finally, electrostatic shields can be used in the actuator to substantially reduce unwanted electrostatic fields to further improve performance of the device. As a result, the compact electrostatic comb actuator of the present invention occupies only a fraction of the space required for conventional electrostatic comb actuators, while providing a substantial increase in the available drive force (up to one-hundred times).

Achievements and Challenges in Computational Protein Design.

PubMed

Samish, Ilan

2017-01-01

Computational protein design (CPD), a yet evolving field, includes computer-aided engineering for partial or full de novo designs of proteins of interest. Designs are defined by a requested structure, function, or working environment. This chapter describes the birth and maturation of the field by presenting 101 CPD examples in a chronological order emphasizing achievements and pending challenges. Integrating these aspects presents the plethora of CPD approaches with the hope of providing a "CPD 101". These reflect on the broader structural bioinformatics and computational biophysics field and include: (1) integration of knowledge-based and energy-based methods, (2) hierarchical designated approach towards local, regional, and global motifs and the integration of high- and low-resolution design schemes that fit each such region, (3) systematic differential approaches towards different protein regions, (4) identification of key hot-spot residues and the relative effect of remote regions, (5) assessment of shape-complementarity, electrostatics and solvation effects, (6) integration of thermal plasticity and functional dynamics, (7) negative design, (8) systematic integration of experimental approaches, (9) objective cross-assessment of methods, and (10) successful ranking of potential designs. Future challenges also include dissemination of CPD software to the general use of life-sciences researchers and the emphasis of success within an in vivo milieu. CPD increases our understanding of protein structure and function and the relationships between the two along with the application of such know-how for the benefit of mankind. Applied aspects range from biological drugs, via healthier and tastier food products to nanotechnology and environmentally friendly enzymes replacing toxic chemicals utilized in the industry.

Decorin Core Protein (Decoron) Shape Complements Collagen Fibril Surface Structure and Mediates Its Binding

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

Orgel, Joseph P.R.O.; Eid, Aya; Antipova, Olga

Decorin is the archetypal small leucine rich repeat proteoglycan of the vertebrate extracellular matrix (ECM). With its glycosaminoglycuronan chain, it is responsible for stabilizing inter-fibrillar organization. Type I collagen is the predominant member of the fibrillar collagen family, fulfilling both organizational and structural roles in animal ECMs. In this study, interactions between decoron (the decorin core protein) and binding sites in the d and e1 bands of the type I collagen fibril were investigated through molecular modeling of their respective X-ray diffraction structures. Previously, it was proposed that a model-based, highly curved concave decoron interacts with a single collagen molecule,more » which would form extensive van der Waals contacts and give rise to strong non-specific binding. However, the large well-ordered aggregate that is the collagen fibril places significant restraints on modes of ligand binding and necessitates multi-collagen molecular contacts. We present here a relatively high-resolution model of the decoron-fibril collagen complex. We find that the respective crystal structures complement each other well, although it is the monomeric form of decoron that shows the most appropriate shape complementarity with the fibril surface and favorable calculated energies of interaction. One molecule of decoron interacts with four to six collagen molecules, and the binding specificity relies on a large number of hydrogen bonds and electrostatic interactions, primarily with the collagen motifs KXGDRGE and AKGDRGE (d and e{sub 1} bands). This work helps us to understand collagen-decorin interactions and the molecular architecture of the fibrillar ECM in health and disease.« less

Molecular architecture of protein-RNA recognition sites.

PubMed

Barik, Amita; C, Nithin; Pilla, Smita P; Bahadur, Ranjit Prasad

2015-01-01

The molecular architecture of protein-RNA interfaces are analyzed using a non-redundant dataset of 152 protein-RNA complexes. We find that an average protein-RNA interface is smaller than an average protein-DNA interface but larger than an average protein-protein interface. Among the different classes of protein-RNA complexes, interfaces with tRNA are the largest, while the interfaces with the single-stranded RNA are the smallest. Significantly, RNA contributes more to the interface area than its partner protein. Moreover, unlike protein-protein interfaces where the side chain contributes less to the interface area compared to the main chain, the main chain and side chain contributions flipped in protein-RNA interfaces. We find that the protein surface in contact with the RNA in protein-RNA complexes is better packed than that in contact with the DNA in protein-DNA complexes, but loosely packed than that in contact with the protein in protein-protein complexes. Shape complementarity and electrostatic potential are the two major factors that determine the specificity of the protein-RNA interaction. We find that the H-bond density at the protein-RNA interfaces is similar with that of protein-DNA interfaces but higher than the protein-protein interfaces. Unlike protein-DNA interfaces where the deoxyribose has little role in intermolecular H-bonds, due to the presence of an oxygen atom at the 2' position, the ribose in RNA plays significant role in protein-RNA H-bonds. We find that besides H-bonds, salt bridges and stacking interactions also play significant role in stabilizing protein-nucleic acids interfaces; however, their contribution at the protein-protein interfaces is insignificant.

Dominant role of local dipolar interactions in phosphate binding to a receptor cleft with an electronegative charge surface: equilibrium, kinetic, and crystallographic studies.

PubMed

Ledvina, P S; Tsai, A L; Wang, Z; Koehl, E; Quiocho, F A

1998-12-01

Stringent specificity and complementarity between the receptor, a periplasmic phosphate-binding protein (PBP) with a two-domain structure, and the completely buried and dehydrated phosphate are achieved by hydrogen bonding or dipolar interactions. We recently found that the surface charge potential of the cleft between the two domains that contains the anion binding site is intensely electronegative. This novel finding prompted the study reported here of the effect of ionic strength on the equilibrium and rapid kinetics of phosphate binding. To facilitate this study, Ala197, located on the edge of the cleft, was replaced by a Trp residue (A197W PBP) to generate a fluorescence reporter group. The A197W PBP-phosphate complex retains wild-type Kd and X-ray structure beyond the replacement residue. The Kd (0.18 microM) at no salt is increased by 20-fold at greater than 0.30 M NaCl. Stopped-flow fluorescence kinetic studies indicate a two-step binding process: (1) The phosphate (L) binds, at near diffusion-controlled rate, to the open cleft form (Po) of PBP to produce an intermediate, PoL. This rate decreases with increasing ionic strength. (2) The intermediate isomerizes to the closed-conformation form, PcL. The results indicate that the high specificity, affinity, and rate of phosphate binding are not influenced by the noncomplementary electronegative surface potential of the cleft. That binding depends almost entirely on local dipolar interactions with the receptor has important ramification in electrostatic interactions in protein structures and in ligand recognition.

Decorin core protein (decoron) shape complements collagen fibril surface structure and mediates its binding.

PubMed

Orgel, Joseph P R O; Eid, Aya; Antipova, Olga; Bella, Jordi; Scott, John E

2009-09-15

Decorin is the archetypal small leucine rich repeat proteoglycan of the vertebrate extracellular matrix (ECM). With its glycosaminoglycuronan chain, it is responsible for stabilizing inter-fibrillar organization. Type I collagen is the predominant member of the fibrillar collagen family, fulfilling both organizational and structural roles in animal ECMs. In this study, interactions between decoron (the decorin core protein) and binding sites in the d and e(1) bands of the type I collagen fibril were investigated through molecular modeling of their respective X-ray diffraction structures. Previously, it was proposed that a model-based, highly curved concave decoron interacts with a single collagen molecule, which would form extensive van der Waals contacts and give rise to strong non-specific binding. However, the large well-ordered aggregate that is the collagen fibril places significant restraints on modes of ligand binding and necessitates multi-collagen molecular contacts. We present here a relatively high-resolution model of the decoron-fibril collagen complex. We find that the respective crystal structures complement each other well, although it is the monomeric form of decoron that shows the most appropriate shape complementarity with the fibril surface and favorable calculated energies of interaction. One molecule of decoron interacts with four to six collagen molecules, and the binding specificity relies on a large number of hydrogen bonds and electrostatic interactions, primarily with the collagen motifs KXGDRGE and AKGDRGE (d and e(1) bands). This work helps us to understand collagen-decorin interactions and the molecular architecture of the fibrillar ECM in health and disease.

Investigation of the biofuel flue and producer gases cleaning efficiency using ESP

NASA Astrophysics Data System (ADS)

Poškas, Robertas; Sirvydas, Arūnas; Poškas, Povilas; Striūgas, Nerijus; Pedišius, Nerijus; Valinčius, Vitas

2017-11-01

The use of biofuel has been increasing in Europe over the last years, and the reason for that is acceptable cost and the least negative impact on the environment. However, NOx and emissions of fine particulates are important, and biofuel is still a disadvantage compared to oil and natural gas fired systems. Usually, flue gas is filtered in multicyclones or fibre filters before discharge into the atmosphere. Yet, in the case of fine particulates, the filters of such type do not show high effectiveness, thus electrostatic precipitators are used. In this comparative study on biofuel (wood pellets), the collection efficiency of solid particles from a class 3 boiler (50 kW) and from a gasification unit (100 kW) was investigated. Although releases of solid particles from modern boilers are low, a combination of such a boiler with an electrostatic precipitator may reduce the releases of particles to the minimum, and the collection efficiency of the electrostatic precipitator obtained during the investigation was 98-99%. There is a big difference in particle concentrations comparing the systems with flue gas and producer gas. As the working conditions in the test section with producer gas were harder, it led to lower efficiency of the electrostatic precipitator ( 75%).

Global Distributions of Ionospheric Electrostatic Potentials for Various Interplanetary Conditions

NASA Astrophysics Data System (ADS)

Kartalev, M.; Papitashvili, V.; Keremidarska, V.; Grigorov, K.; Romanov, D.

2001-12-01

We report on a study of the global ionospheric electrostatic potential distributions obtained from combining two algorithms used for the mapping of high-latitude and middle-latitude ionospheric electrodynamics; that is, the LiMIE (http://www.sprl.umich.edu/mist/) and IMEH (http://geospace.nat.bg) models, respectively. In this combination, the latter model utilizes the LiMIE high-latitude field-aligned current distributions for various IMF conditions and different seasons (summer, winter, equinox). The IMEH model is a mathematical tool, allowing us to study conjugacy (or non-conjugacy) of the ionospheric electric fields on a global scale, from the northern and southern polar regions to the middle- and low-latitudes. The proposed numerical scheme permits testing of different mechanisms of the interhemispheric coupling and mapping to the ionosphere through the appropriate current systems. The scheme is convenient for determining self-consistently the separatrices in both the northern and southern hemispheres. In this study we focus on the global ionospheric electrostatic field distributions neglecting other possible electric field sources. Considering some implications of the proposed technique for the space weather specification and forecasting, we developed a Web-based interface providing global distributions of the ionospheric electrostatic potentials in near-real time from the ACE upstream solar wind observations at L1.

What is complementarity?: Niels Bohr and the architecture of quantum theory

NASA Astrophysics Data System (ADS)

Plotnitsky, Arkady

2014-12-01

This article explores Bohr’s argument, advanced under the heading of ‘complementarity,’ concerning quantum phenomena and quantum mechanics, and its physical and philosophical implications. In Bohr, the term complementarity designates both a particular concept and an overall interpretation of quantum phenomena and quantum mechanics, in part grounded in this concept. While the argument of this article is primarily philosophical, it will also address, historically, the development and transformations of Bohr’s thinking, under the impact of the development of quantum theory and Bohr’s confrontation with Einstein, especially their exchange concerning the EPR experiment, proposed by Einstein, Podolsky and Rosen in 1935. Bohr’s interpretation was progressively characterized by a more radical epistemology, in its ultimate form, which was developed in the 1930s and with which I shall be especially concerned here, defined by his new concepts of phenomenon and atomicity. According to this epistemology, quantum objects are seen as indescribable and possibly even as inconceivable, and as manifesting their existence only in the effects of their interactions with measuring instruments upon those instruments, effects that define phenomena in Bohr’s sense. The absence of causality is an automatic consequence of this epistemology. I shall also consider how probability and statistics work under these epistemological conditions.

Indivisibility, Complementarity and Ontology: A Bohrian Interpretation of Quantum Mechanics

NASA Astrophysics Data System (ADS)

Roldán-Charria, Jairo

2014-12-01

The interpretation of quantum mechanics presented in this paper is inspired by two ideas that are fundamental in Bohr's writings: indivisibility and complementarity. Further basic assumptions of the proposed interpretation are completeness, universality and conceptual economy. In the interpretation, decoherence plays a fundamental role for the understanding of measurement. A general and precise conception of complementarity is proposed. It is fundamental in this interpretation to make a distinction between ontological reality, constituted by everything that does not depend at all on the collectivity of human beings, nor on their decisions or limitations, nor on their existence, and empirical reality constituted by everything that not being ontological is, however, intersubjective. According to the proposed interpretation, neither the dynamical properties, nor the constitutive properties of microsystems like mass, charge and spin, are ontological. The properties of macroscopic systems and space-time are also considered to belong to empirical reality. The acceptance of the above mentioned conclusion does not imply a total rejection of the notion of ontological reality. In the paper, utilizing the Aristotelian ideas of general cause and potentiality, a relation between ontological reality and empirical reality is proposed. Some glimpses of ontological reality, in the form of what can be said about it, are finally presented.

A linear complementarity method for the solution of vertical vehicle-track interaction

NASA Astrophysics Data System (ADS)

Zhang, Jian; Gao, Qiang; Wu, Feng; Zhong, Wan-Xie

2018-02-01

A new method is proposed for the solution of the vertical vehicle-track interaction including a separation between wheel and rail. The vehicle is modelled as a multi-body system using rigid bodies, and the track is treated as a three-layer beam model in which the rail is considered as an Euler-Bernoulli beam and both the sleepers and the ballast are represented by lumped masses. A linear complementarity formulation is directly established using a combination of the wheel-rail normal contact condition and the generalised-α method. This linear complementarity problem is solved using the Lemke algorithm, and the wheel-rail contact force can be obtained. Then the dynamic responses of the vehicle and the track are solved without iteration based on the generalised-α method. The same equations of motion for the vehicle and track are adopted at the different wheel-rail contact situations. This method can remove some restrictions, that is, time-dependent mass, damping and stiffness matrices of the coupled system, multiple equations of motion for the different contact situations and the effect of the contact stiffness. Numerical results demonstrate that the proposed method is effective for simulating the vehicle-track interaction including a separation between wheel and rail.

Emergence of complementarity and the Baconian roots of Niels Bohr's method

NASA Astrophysics Data System (ADS)

Perovic, Slobodan

2013-08-01

I argue that instead of a rather narrow focus on N. Bohr's account of complementarity as a particular and perhaps obscure metaphysical or epistemological concept (or as being motivated by such a concept), we should consider it to result from pursuing a particular method of studying physical phenomena. More precisely, I identify a strong undercurrent of Baconian method of induction in Bohr's work that likely emerged during his experimental training and practice. When its development is analyzed in light of Baconian induction, complementarity emerges as a levelheaded rather than a controversial account, carefully elicited from a comprehensive grasp of the available experimental basis, shunning hasty metaphysically motivated generalizations based on partial experimental evidence. In fact, Bohr's insistence on the "classical" nature of observations in experiments, as well as the counterintuitive synthesis of wave and particle concepts that have puzzled scholars, seem a natural outcome (an updated instance) of the inductive method. Such analysis clarifies the intricacies of early Schrödinger's critique of the account as well as Bohr's response, which have been misinterpreted in the literature. If adequate, the analysis may lend considerable support to the view that Bacon explicated the general terms of an experimentally minded strand of the scientific method, developed and refined by scientists in the following three centuries.

Target mimicry provides a new mechanism for regulation of microRNA activity.

PubMed

Franco-Zorrilla, José Manuel; Valli, Adrián; Todesco, Marco; Mateos, Isabel; Puga, María Isabel; Rubio-Somoza, Ignacio; Leyva, Antonio; Weigel, Detlef; García, Juan Antonio; Paz-Ares, Javier

2007-08-01

MicroRNAs (miRNA) regulate key aspects of development and physiology in animals and plants. These regulatory RNAs act as guides of effector complexes to recognize specific mRNA sequences based on sequence complementarity, resulting in translational repression or site-specific cleavage. In plants, most miRNA targets are cleaved and show almost perfect complementarity with the miRNAs around the cleavage site. Here, we examined the non-protein coding gene IPS1 (INDUCED BY PHOSPHATE STARVATION 1) from Arabidopsis thaliana. IPS1 contains a motif with sequence complementarity to the phosphate (Pi) starvation-induced miRNA miR-399, but the pairing is interrupted by a mismatched loop at the expected miRNA cleavage site. We show that IPS1 RNA is not cleaved but instead sequesters miR-399. Thus, IPS1 overexpression results in increased accumulation of the miR-399 target PHO2 mRNA and, concomitantly, in reduced shoot Pi content. Engineering of IPS1 to be cleavable abolishes its inhibitory activity on miR-399. We coin the term 'target mimicry' to define this mechanism of inhibition of miRNA activity. Target mimicry can be generalized beyond the control of Pi homeostasis, as demonstrated using artificial target mimics.

Ferrocene Containing Copolymers with Improved Electrostatic Dissipation Properties for Advanced Applications

NASA Technical Reports Server (NTRS)

Smith, T. M.; Nelson, G. L.

2005-01-01

Electrostatic dissipative polymers are used for a variety of functions. Typical methods utilized to transform electrically insulating polymers into either charge dissipative or conductive materials involve incorporating a conductive filler, conductive polymer, oxidizing the surface using plasma, or incorporating surfactants that act as surface wetting agents. Another approach is to synthesize a block copolymer that is expected to result in better electrical properties with minimal impacts to physical, fire, and thermal properties. One such block that can be added into the main chain of polymers is a diol terminated ferrocene oligomer, which is expected to impart electrostatic dissipative properties into the host polymer while concurrently improving the overall fire properties. Previous work with polyurethanes incorporating a ferrocene oligomer into the main chain resulted in much improved fire retardancy. In dealing with electrostatic dissipative materials the important questions are: how easily does the material charge and how quickly can the charge move to ground. One normally describes the materials conductivity, but conductivity only measures the fastest path for an electron not the slowest path. The slowest path is the one of interest, since it is left on the surface and thus can cause discharges. In order to assess ease of charging and decay times corona charge dissipation measurements can accurately assess these properties by introducing a charge on the surface of the material then measuring the surface voltage and the amount of charge deposited. The charge decay curve then will give an indication of a materials electrostatic dissipation properties. Normally, triboelectric testing can be performed, but results vary. Corona charge dissipation results are more repeatable.

Complementarity As Generative Principle: A Thought Pattern for Aesthetic Appreciations and Cognitive Appraisals in General

PubMed Central

Bao, Yan; von Stosch, Alexandra; Park, Mona; Pöppel, Ernst

2017-01-01

In experimental aesthetics the relationship between the arts and cognitive neuroscience has gained particular interest in recent years. But has cognitive neuroscience indeed something to offer when studying the arts? Here we present a theoretical frame within which the concept of complementarity as a generative or creative principle is proposed; neurocognitive processes are characterized by the duality of complementary activities like bottom-up and top-down control, or logistical functions like temporal control and content functions like perceptions in the neural machinery. On that basis a thought pattern is suggested for aesthetic appreciations and cognitive appraisals in general. This thought pattern is deeply rooted in the history of philosophy and art theory since antiquity; and complementarity also characterizes neural operations as basis for cognitive processes. We then discuss some challenges one is confronted with in experimental aesthetics; in our opinion, one serious problem is the lack of a taxonomy of functions in psychology and neuroscience which is generally accepted. This deficit makes it next to impossible to develop acceptable models which are similar to what has to be modeled. Another problem is the severe language bias in this field of research as knowledge gained in many languages over the ages remains inaccessible to most scientists. Thus, an inspection of research results or theoretical concepts is necessarily too narrow. In spite of these limitations we provide a selective summary of some results and viewpoints with a focus on visual art and its appreciation. It is described how questions of art and aesthetic appreciations using behavioral methods and in particular brain-imaging techniques are analyzed and evaluated focusing on such issues like the representation of artwork or affective experiences. Finally, we emphasize complementarity as a generative principle on a practical level when artists and scientists work directly together which can lead to new insights and broader perspectives on both sides. PMID:28536548

Complementarity As Generative Principle: A Thought Pattern for Aesthetic Appreciations and Cognitive Appraisals in General.

PubMed

Bao, Yan; von Stosch, Alexandra; Park, Mona; Pöppel, Ernst

2017-01-01

In experimental aesthetics the relationship between the arts and cognitive neuroscience has gained particular interest in recent years. But has cognitive neuroscience indeed something to offer when studying the arts? Here we present a theoretical frame within which the concept of complementarity as a generative or creative principle is proposed; neurocognitive processes are characterized by the duality of complementary activities like bottom-up and top-down control, or logistical functions like temporal control and content functions like perceptions in the neural machinery. On that basis a thought pattern is suggested for aesthetic appreciations and cognitive appraisals in general. This thought pattern is deeply rooted in the history of philosophy and art theory since antiquity; and complementarity also characterizes neural operations as basis for cognitive processes. We then discuss some challenges one is confronted with in experimental aesthetics; in our opinion, one serious problem is the lack of a taxonomy of functions in psychology and neuroscience which is generally accepted. This deficit makes it next to impossible to develop acceptable models which are similar to what has to be modeled. Another problem is the severe language bias in this field of research as knowledge gained in many languages over the ages remains inaccessible to most scientists. Thus, an inspection of research results or theoretical concepts is necessarily too narrow. In spite of these limitations we provide a selective summary of some results and viewpoints with a focus on visual art and its appreciation. It is described how questions of art and aesthetic appreciations using behavioral methods and in particular brain-imaging techniques are analyzed and evaluated focusing on such issues like the representation of artwork or affective experiences. Finally, we emphasize complementarity as a generative principle on a practical level when artists and scientists work directly together which can lead to new insights and broader perspectives on both sides.

Detecting the role of individual species for overyielding in experimental grassland communities composed of potentially dominant species.

PubMed

Roscher, Christiane; Schumacher, Jens; Weisser, Wolfgang W; Schmid, Bernhard; Schulze, Ernst-Detlef

2007-12-01

Several studies have shown that the contribution of individual species to the positive relationship between species richness and community biomass production cannot be easily predicted from species monocultures. Here, we used a biodiversity experiment with a pool of nine potentially dominant grassland species to relate the species richness-productivity relationship to responses in density, size and aboveground allocation patterns of individual species. Aboveground community biomass increased strongly with the transition from monocultures to two-species mixtures but only slightly with the transition from two- to nine-species mixtures. Tripartite partitioning showed that the strong increase shown by the former was due to trait-independent complementarity effects, while the slight increase shown by the latter was due to dominance effects. Trait-dependent complementarity effects depended on species composition. Relative yield total (RYT) was greater than 1 (RYT>1) in mixtures but did not increase with species richness, which is consistent with the constant complementarity effect. The relative yield (RY) of only one species, Arrhenatherum elatius, continually increased with species richness, while those of the other species studied decreased with species richness or varied among different species compositions within richness levels. High observed/expected RYs (RYo/RYe>1) of individual species were mainly due to increased module densities, whereas low observed/expected RYs (RYo/RYe<1) were due to more pronounced decreases in module density (species with stoloniferous or creeping growth) or module size (species with clearly-defined plant individuals). The trade-off between module density and size, typical for plant populations under the law of constant final yield, was compensated among species. The positive trait-independent complementarity effect could be explained by an increase in community module density, which reached a maximum at low species richness. In contrast, the increasing dominance effect was attributable to the species-specific ability, in particular that of A. elatius, to increase module size, while intrinsic growth limitations led to a suppression of the remaining species in many mixtures.

Characterizing the Performance of the Wheel Electrostatic Spectrometer

NASA Technical Reports Server (NTRS)

Johansen, M. R.; Mackey, P. J.; Holbert, E.; Clements, J. S.; Calle, C. I.

2013-01-01

A Wheel Electrostatic Spectrometer has been developed as a surveying tool to be incorporated into a Martian rover design. Electrostatic sensors with various protruding cover insulators are embedded into a prototype rover wheel. When these insulators come into contact with a surface, a charge develops on the cover insulator through tribocharging. A charge spectrum is created by analyzing the accumulated charge on each of the dissimilar cover insulators. This charge spectrum can be used to determine differences in Martian regolith properties. In this study, we analyzed the repeatability of the measurements for this sensor package and found that the sensor repeatability lies within one standard deviation of the noise in the signal. In addition, we tested the need for neutralizing the surface charge on the cover insulators and discovered a need to discharge the sensor cover insulators after each revolution. Future work includes an electronics redesign to reduce noise and a Martian pressure static elimination tool that can be used to neutralize the charge on the sensor cover insulators after each wheel revolution.

Development of an electrostatic dust detector for tungsten dust

NASA Astrophysics Data System (ADS)

Starkey, D.; Hammond, K.; Roquemore, L.; Skinner, C. H.

2012-10-01

Next-step fusion reactors, such as ITER, are expected to have large quantities of dust that will present hazards that have yet to be encountered in current fusion devices. To manage the amount of dust within the reactors a real-time dust detector must be implemented to ensure that dust does not reach hazardous levels. An electrostatic device that accomplishes this has already been tested on NSTX and Tore Supra [1,2]. We will present modifications of this device to improve its ruggedness to withstand the conditions that will be present in ITER. The detector consists of two tungsten wires wrapped around a macor cylinder that are biased at 100-300 V. Incident dust causes a measurable transient short circuit. Initial results have demonstrated the detection of tungsten particles. We will also present a potential method of electrostatic cleaning of residual dust from the detector.[4pt] [1] C. H. Skinner et al., Rev. Sci. Instrum., 81, 10E102 (2010)[0pt] [2] H. Roche et al., Phys. Scr., T145, (2011).

Electrostatic atomization: Effect of electrode materials on electrostatic atomizer performance

NASA Astrophysics Data System (ADS)

Sankaran, Abhilash; Staszel, Christopher; Kashir, Babak; Perri, Anthony; Mashayek, Farzad; Yarin, Alexander

2016-11-01

Electrostatic atomization was studied experimentally with a pointed electrode in a converging nozzle. Experiments were carried out on poorly conductive canola oil where it was observed that electrode material may affect charge transfer. This points at the possible faradaic reactions that can occur at the surfaces of the electrodes. The supply voltage is applied to the sharp electrode and the grounded nozzle body constitutes the counter-electrode. The charge transfer is controlled by the electrochemical reactions on both the electrodes. The electrical performance study of the atomizer issuing a charged oil jet was conducted using three different nozzle body materials - brass, copper and stainless steel. Also, two sharp electrode materials - brass and stainless steel - were tested. The experimental results revealed that both the nozzle body material, as well as the sharp electrode material affected the spray and leak currents. Moreover, the effect of the sharp electrode material is quite significant. This research is supported by NSF Grant 1505276.

Colorado Upper-Division Electrostatics diagnostic: A conceptual assessment for the junior level

NASA Astrophysics Data System (ADS)

Chasteen, Stephanie V.; Pepper, Rachel E.; Caballero, Marcos D.; Pollock, Steven J.; Perkins, Katherine K.

2012-12-01

As part of an effort to systematically improve our junior-level E&M I course, we have developed a tool to assess student conceptual learning of electrostatics at the upper division. Together with a group of physics faculty, we established a list of learning goals for the course that, with results from student observations and interviews, served as a guide in creating the Colorado Upper-Division Electrostatics (CUE) assessment. The result is a 17-question open-ended post-test diagnostic (with an optional 7-question pretest) and an accompanying grading rubric. We present measures of the validation and reliability of the instrument and grading rubric, plus results from 535 students in both standard and interactive-engagement courses across seven institutions as a baseline for the instrument. Overall, we find that the CUE is a valid and reliable measure, and the data herein are intended to be of use to researchers and faculty interested in using the CUE to measure student learning.

Electrostatically screened, voltage-controlled electrostatic chuck

DOEpatents

Klebanoff, Leonard Elliott

2001-01-01

Employing an electrostatically screened, voltage-controlled electrostatic chuck particularly suited for holding wafers and masks in sub-atmospheric operations will significantly reduce the likelihood of contaminant deposition on the substrates. The electrostatic chuck includes (1) an insulator block having a outer perimeter and a planar surface adapted to support the substrate and comprising at least one electrode (typically a pair of electrodes that are embedded in the insulator block), (2) a source of voltage that is connected to the at least one electrode, (3) a support base to which the insulator block is attached, and (4) a primary electrostatic shield ring member that is positioned around the outer perimeter of the insulator block. The electrostatic chuck permits control of the voltage of the lithographic substrate; in addition, it provides electrostatic shielding of the stray electric fields issuing from the sides of the electrostatic chuck. The shielding effectively prevents electric fields from wrapping around to the upper or front surface of the substrate, thereby eliminating electrostatic particle deposition.

Portable apparatus for the measurement of environmental radon and thoron

DOEpatents

Negro, Vincent C.

2001-01-01

The radometer is a portable instrument for the measurement of the concentration of atmospheric radon/thoron in a test area. A constant velocity pump pulls the air from the outside at a constant flow rate. If the air is too moist, some or all of the sample is passed through a desiccant filter prior to encountering an electrostatic filter. The electrostatic filter prevents any charged particles from entering the sampling chamber. Once the sample has entered the chamber, the progeny of the decay of radon/thoron are collected on a detector and measured. The measured data is compiled by a computer and displayed.

Calculation of electromagnetic fields induced on a geostationary satellite by an electrostatic discharge

NASA Astrophysics Data System (ADS)

Froger, E.; Marque, J. P.

The electromagnetic response of an orbiting satellite to an electrostatic discharge is compared to that of the same object subjected (in a susceptibility test) to an injection current. In the absence of actual data, the comparison was performed on the basis of two numerical simulations: one using the GEODE particle code for the orbiting case, and the other using the ALICE code for a representative injection configuration. It is found that the evolution of the electromagnetic fields is controlled in particular by the particle emission rhythm, giving rise to an ejection flux 'slit' whose rise time is about several tens of nanoseconds.

The 80 kV electrostatic wire septum for AmPS

NASA Astrophysics Data System (ADS)

Vanderlinden, A.; Bijleveld, J. H. M.; Rookhuizen, H. Boer; Bruinsma, P. J. T.; Heine, E.; Lassing, P.; Prins, E.

The characteristics of the wire septum for the Amsterdam Pulse Stretcher (AmPS) are summarized. In the extraction process of the AmPS the extracted beam is intercepted from the circulating beam by the 1 m long electrostatic wire septum. For a bending angle of 4.4 mrad, the maximum anode voltage is 80 kV. The system developed consists of a wire spacing of 0.65 mm between tungsten wires of 50 micrometers diameter. Stainless steel spring wires, bent in a half cylindrical carrier, stretch the septum wires two by two. Prototype tests were successful up to an anode voltage of 120 kV.

Electrostatic Levitation Technique for Investigations of Physical Properties of Liquid States

NASA Astrophysics Data System (ADS)

Okada, Junpei; Ishikawa, Takehiko; Paradis, Paul-Francois; Yoda, Shinichi

Electrostatic levitator (ESL) levitates a charged sample in a high vacuum using computer con-trolled electrostatic fields [1]. It can levitate materials such as metals, semiconductors, and some insulators. Sample temperature can be varied over a wide range, and samples can be deeply undercooled. We have been engaged in the research and development of the electro-static levitation technique with the aim of performing levitation dissolution experiments in the International Space Station (ISS). Our device for the electrostatic levitation dissolution test has been developed for experiments on the ISS. To this end, the system is designed to be compact and portable so that it can be launched by rocket and used for experiments in the limited space on the ISS. Accordingly, the device can be installed not just on the ISS or our research laboratory, but also in various external sites. We devised a plan to install the electrostatic levitation system in a site other than the ISS to study atomic structure and electron structure of ultra-high-temperature liquids. We mounted our system on third generation synchrotron radiation facility "SPring-8" in Japan, to investigate the atomic and electron structures of high-temperature liquids. The SPring-8 is an experimental facility that allows use of the most powerful X-rays in the world. We conducted a variety of experiments on ultra-high-temperature liquids using SPring-8. The X-ray is ideal for exploring atomic structure and electron structure. Since the X-ray is an electromagnetic wave, it interacts with electrons. In addition, most electrons gather around the atomic nucleus. By close analysis of the scattered x-rays, we can determine its atomic structure and electron structure in detail. In this talk, we introduce an x-ray Compton scattering and x-ray Raman scattering measurements on liquid aluminum and silicon. [1] W. -K. Rhim, et al, Rev. Sci. Instrum. (1985) 56 307.

High efficiency ion beam accelerator system

NASA Technical Reports Server (NTRS)

Aston, G.

1981-01-01

An ion accelerator system that successfully combines geometrical and electrostatic focusing principles is presented. This accelerator system uses thin, concave, multiple-hole, closely spaced graphite screen and focusing grids which are coupled to single slot accelerator and decelerator grids to provide high ion extraction efficiency and good focusing. Tests with the system showed a substantial improvement in ion beam current density and collimation as compared with a Pierce electrode configuration. Durability of the thin graphite screen and focusing grids has been proven, and tests are being performed to determine the minimum screen and focusing grid spacing and thickness required to extract the maximum reliable beam current density. Compared with present neutral beam injector accelerator systems, this one has more efficient ion extraction, easier grid alignment, easier fabrication, a less cumbersome design, and the capacity to be constructed in a modular fashion. Conceptual neutral beam injector designs using this modular approach have electrostatic beam deflection plates downstream of each module.

Electrostatic Charging of the Pathfinder Rover

NASA Technical Reports Server (NTRS)

Siebert, Mark W.; Kolecki, Joseph C.

1996-01-01

The Mars Pathfinder mission will send a lander and a rover to the martian surface. Because of the extremely dry conditions on Mars, electrostatic charging of the rover is expected to occur as it moves about. Charge accumulation may result in high electrical potentials and discharge through the martian atmosphere. Such discharge could interfere with the operation of electrical elements on the rover. A strategy was sought to mitigate this charge accumulation as a precautionary measure. Ground tests were performed to demonstrate charging in laboratory conditions simulating the surface conditions expected at Mars. Tests showed that a rover wheel, driven at typical rover speeds, will accumulate electrical charge and develop significant electrical potentials (average observed, 110 volts). Measurements were made of wheel electrical potential, and wheel capacitance. From these quantities, the amount of absolute charge was estimated. An engineering solution was developed and recommended to mitigate charge accumulation. That solution has been implemented on the actual rover.

A three dimensional dynamic study of electrostatic charging in materials

NASA Technical Reports Server (NTRS)

Katz, I.; Parks, D. E.; Mandell, M. J.; Harvey, J. M.; Brownell, D. H., Jr.; Wang, S. S.; Rotenberg, M.

1977-01-01

A description is given of the physical models employed in the NASCAP (NASA Charging Analyzer Program) code, and several test cases are presented. NASCAP dynamically simulates the charging of an object made of conducting segments which may be entirely or partially covered with thin dielectric films. The object may be subject to either ground test or space user-specified environments. The simulation alternately treats (1) the tendency of materials to accumulate and emit charge when subject to plasma environment, and (2) the consequent response of the charged particle environment to an object's electrostatic field. Parameterized formulations of the emission properties of materials subject to bombardment by electrons, protons, and sunlight are presented. Values of the parameters are suggested for clean aluminum, Al2O3, clean magnesium, MgO, SiO2 kapton, and teflon. A discussion of conductivity in thin dielectrics subject to radiation and high fields is given, together with a sample calculation.

Working Group Report: Dark Matter Complementarity (Dark Matter in the Coming Decade: Complementary Paths to Discovery and Beyond)

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

Arrenberg, Sebastian; et al.,

2013-10-31

In this Report we discuss the four complementary searches for the identity of dark matter: direct detection experiments that look for dark matter interacting in the lab, indirect detection experiments that connect lab signals to dark matter in our own and other galaxies, collider experiments that elucidate the particle properties of dark matter, and astrophysical probes sensitive to non-gravitational interactions of dark matter. The complementarity among the different dark matter searches is discussed qualitatively and illustrated quantitatively in several theoretical scenarios. Our primary conclusion is that the diversity of possible dark matter candidates requires a balanced program based on allmore » four of those approaches.« less

Insights to primitive replication derived from structures of small oligonucleotides

NASA Technical Reports Server (NTRS)

Smith, G. K.; Fox, G. E.

1995-01-01

Available information on the structure of small oligonucleotides is surveyed. It is observed that even small oligomers typically exhibit defined structures over a wide range of pH and temperature. These structures rely on a plethora of non-standard base-base interactions in addition to the traditional Watson-Crick pairings. Stable duplexes, though typically antiparallel, can be parallel or staggered and perfect complementarity is not essential. These results imply that primitive template directed reactions do not require high fidelity. Hence, the extensive use of Watson-Crick complementarity in genes rather than being a direct consequence of the primitive condensation process, may instead reflect subsequent selection based on the advantage of accuracy in maintaining the primitive genetic machinery once it arose.

Study on the shrinkage behavior and conductivity of silver microwires during electrostatic field assisted sintering

NASA Astrophysics Data System (ADS)

Shangguan, Lei; Ma, Liuhong; Li, Mengke; Peng, Wei; Zhong, Yinghui; Su, Yufeng; Duan, Zhiyong

2018-05-01

An electrostatic field was applied to sintering Ag microwires to achieve a more compact structure and better conductivity. The shrinkage behavior of Ag microwires shows anisotropy, since bigger particle sizes, less micropores and smoother surfaces were observed in the direction of the electrostatic field in comparsion with the direction perpendicular to the electrostatic field, and the shrinkage rate of Ag microwires in the direction of electrostatic field improves about 2.4% with the electrostatic field intensity of 800 V cm‑1. The electrostatic field assisted sintering model of Ag microwires is proposed according to thermal diffuse dynamics analysis and experimental research. Moreover, the grain size of Ag microwres sintered with electrostatic field increases with the electrostatic field intensity and reaches 113 nm when the electrostatic field intensity is 800 V cm‑1, and the resistivity decreases to 2.07  ×  10‑8 Ω m as well. This method may overcome the restriction of metal wires which fabricated by the pseudoplastic metal nanoparticle fluid and be used as interconnects in nanoimprint lithography.

Experimental evaluation of diversity-productivity relationships in a coral reef fish assemblage.

PubMed

Messmer, Vanessa; Blowes, Shane A; Jones, Geoffrey P; Munday, Philip L

2014-09-01

The global decline in biodiversity is causing increasing concern about the effects of biodiversity loss on ecosystem services such as productivity. Biodiversity has been hypothesised to be important in maintaining productivity of biological assemblages because niche complementarity and facilitation among the constituent species can result in more efficient use of resources. However, these conclusions are primarily based on studies with plant communities, and the relationship between diversity and productivity at higher trophic levels is largely unknown, especially in the marine environment. Here, we used a manipulative field experiment to test the effects of species richness and species identity on biomass accumulation in coral reef fish assemblages at Lizard Island. Small patch reefs were stocked with a total of 30 juveniles belonging to three planktivorous damselfish (genus Pomacentrus) according to three different levels of fish species richness (one, two and three species) and seven different combinations of fish species. Species richness had no effect on the relative growth in this assemblage after 18 days, but relative growth differed among individual fish species and the different combinations of species. Patterns of increase in biomass were best explained by species-specific differences and variable effects of intra- and interspecific competition on growth. These results suggest that niche complementarity and facilitation are not the most influential drivers of total productivity within this guild of planktivorous fishes. Total productivity may be resilient to declining reef fish biodiversity, but this will depend on which species are lost and on the life-history traits of remaining species.

Protein electrostatics: a review of the equations and methods used to model electrostatic equations in biomolecules--applications in biotechnology.

PubMed

Neves-Petersen, Maria Teresa; Petersen, Steffen B

2003-01-01

The molecular understanding of the initial interaction between a protein and, e.g., its substrate, a surface or an inhibitor is essentially an understanding of the role of electrostatics in intermolecular interactions. When studying biomolecules it is becoming increasingly evident that electrostatic interactions play a role in folding, conformational stability, enzyme activity and binding energies as well as in protein-protein interactions. In this chapter we present the key basic equations of electrostatics necessary to derive the equations used to model electrostatic interactions in biomolecules. We will also address how to solve such equations. This chapter is divided into two major sections. In the first part we will review the basic Maxwell equations of electrostatics equations called the Laws of Electrostatics that combined will result in the Poisson equation. This equation is the starting point of the Poisson-Boltzmann (PB) equation used to model electrostatic interactions in biomolecules. Concepts as electric field lines, equipotential surfaces, electrostatic energy and when can electrostatics be applied to study interactions between charges will be addressed. In the second part we will arrive at the electrostatic equations for dielectric media such as a protein. We will address the theory of dielectrics and arrive at the Poisson equation for dielectric media and at the PB equation, the main equation used to model electrostatic interactions in biomolecules (e.g., proteins, DNA). It will be shown how to compute forces and potentials in a dielectric medium. In order to solve the PB equation we will present the continuum electrostatic models, namely the Tanford-Kirkwood and the modified Tandord-Kirkwood methods. Priority will be given to finding the protonation state of proteins prior to solving the PB equation. We also present some methods that can be used to map and study the electrostatic potential distribution on the molecular surface of proteins. The combination of graphical visualisation of the electrostatic fields combined with knowledge about the location of key residues on the protein surface allows us to envision atomic models for enzyme function. Finally, we exemplify the use of some of these methods on the enzymes of the lipase family.

Development And Testing Of The Inertial Electrostatic Confinement Diffusion Thruster

NASA Technical Reports Server (NTRS)

Becnel, Mark D.; Polzin, Kurt A.

2013-01-01

The Inertial Electrostatic Confinement (IEC) diffusion thruster is an experiment in active development that takes advantage of physical phenomenon that occurs during operation of an IEC device. The IEC device has been proposed as a fusion reactor design that relies on traditional electrostatic ion acceleration and is typically arranged in a spherical geometry. The design incorporates two radially-symmetric spherical electrodes. Often the inner electrode utilizes a grid of wire shaped in a sphere with a radius 15 to 50 percent of the radius of the outer electrode. The inner electrode traditionally has 90 percent or more transparency to allow particles (ions) to pass to the center of the spheres and collide/recombine in the dense plasma core at r=0. When operating the IEC, an unsteady plasma leak is typically observed passing out one of the gaps in the lattice grid of the inner electrode. The IED diffusion thruster is based upon the idea that this plasma leak can be used for propulsive purposes. The IEC diffusion thruster utilizes the radial symmetry found in the IEC device. A cylindrical configuration is employed here as it will produce a dense core of plasma the length of the cylindrical grid while promoting the plasma leak to exhaust through an electromagnetic nozzle at one end of the apparatus. A proof-of-concept IEC diffusion thruster is operational and under testing using argon as propellant (Figure 1).

The chemical enhancement of the triboelectric separation of coal from pyrite and ash: A novel approach for electrostatic separation of mineral matter from coal

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

Gustafson, R.M.; DiMare, S.; Sabatini, J.

1992-02-01

Arthur D. Little, Inc., under contract to the US DOE Pittsburgh Energy Technology Center, has developed a triboelectric separation device for coal beneficiation, that employs an entrained-flow, rotating-cylinder concept. The described apparatus has been used to test the efficacy of chemical pretreatment and in-situ treatment of coal on separation efficiency. Coal particle entrainment is achieved with gaseous carbon dioxide and particle collection is accomplished by an electrostatic plate separator. The triboelectric separation device incorporates instrumentation for the direct measurement of charge in the dilute-phase particle stream. Some of the pretreatment materials investigated under this project to modify the surface chargingmore » characteristics of the coal included oleic acid, sodium oleate, quinoline and dicyclohexylamine. Ammonia and sulfur dioxide at a concentration up to 1000 ppM was used for in-situ treatment of the coal, with carbon dioxide as the carrier/inerting gas. Nitrogen was used earlier in the test program as the carrier/inerting gas for the coal, but a severe arcing problem was encountered in the electrostatic collector with nitrogen as the carrier gas. This problem did not occur when carbon dioxide was used. The report covers the chemical treatment employed, and summarizes and interprets the results achieved. In addition, an economic analysis of a full scale system based on this concept is presented.« less

PFB coal fired combined cycle development program. Advanced hot gas cleanup concept evaluation (Task 4. 3). Volume A. Aerodyne cyclone evaluation

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

Not Available

This report summarizes the results of testing of a rotary flow cyclone, manufactured by Aerodyne Development Corporation under license by Siemens Kraftwerk Union. This cyclone was selected for evaluation due to the unusually high separative efficiencies claimed by the manufacturer (based on developer data), and relative lack of open literature data. The most significant finding of this work was the observation that electrostatic forces could enhance or, in fact, dominate the separation process. Separative efficiencies, with electrostatic forces present, were found to be substantially independent of flow rate and, by inference, could be independent of unit size. This finding suggestsmore » that large cyclones with natural or augmented electrostatic forces employed in the hot gas cleanup train of the CFCC system may not suffer the performance degradation compared to small cyclones, as projected from conventional inertial theory. This is of special importance since the use of many small cyclones in parallel, or multicyclones, commonly suffers from fouling and this approach is not recommended in the CFCC application. The original objective of this investigation was to assess the relative merits of the Aerodyne cyclone separator. It was found from both the cold flow and the hot flow tests that its separative efficiencies are disappointingly poorer than expectations (in agreement with Westinghouse results), and even poorer than conventional cyclones.« less

Understanding the failure mechanisms of microwave bipolar transistors caused by electrostatic discharge

NASA Astrophysics Data System (ADS)

Jin, Liu; Yongguang, Chen; Zhiliang, Tan; Jie, Yang; Xijun, Zhang; Zhenxing, Wang

2011-10-01

Electrostatic discharge (ESD) phenomena involve both electrical and thermal effects, and a direct electrostatic discharge to an electronic device is one of the most severe threats to component reliability. Therefore, the electrical and thermal stability of multifinger microwave bipolar transistors (BJTs) under ESD conditions has been investigated theoretically and experimentally. 100 samples have been tested for multiple pulses until a failure occurred. Meanwhile, the distributions of electric field, current density and lattice temperature have also been analyzed by use of the two-dimensional device simulation tool Medici. There is a good agreement between the simulated results and failure analysis. In the case of a thermal couple, the avalanche current distribution in the fingers is in general spatially unstable and results in the formation of current crowding effects and crystal defects. The experimental results indicate that a collector-base junction is more sensitive to ESD than an emitter-base junction based on the special device structure. When the ESD level increased to 1.3 kV, the collector-base junction has been burnt out first. The analysis has also demonstrated that ESD failures occur generally by upsetting the breakdown voltage of the dielectric or overheating of the aluminum-silicon eutectic. In addition, fatigue phenomena are observed during ESD testing, with devices that still function after repeated low-intensity ESDs but whose performances have been severely degraded.

Controlled electrostatic methodology for imaging indentations in documents.

PubMed

Yaraskavitch, Luke; Graydon, Matthew; Tanaka, Tobin; Ng, Lay-Keow

2008-05-20

The electrostatic process for imaging indentations on documents using the ESDA device is investigated under controlled experimental settings. An in-house modified commercial xerographic developer housing is used to control the uniformity and volume of toner deposition, allowing for reproducible image development. Along with this novel development tool, an electrostatic voltmeter and fixed environmental conditions facilitate an optimization process. Sample documents are preconditioned in a humidity cabinet with microprocessor control, and the significant benefit of humidification above 70% RH on image quality is verified. Improving on the subjective methods of previous studies, image quality analysis is carried out in an objective and reproducible manner using the PIAS-II. For the seven commercial paper types tested, the optimum ESDA operating point is found to be at an electric potential near -400V at the Mylar surface; however, for most paper types, the optimum operating regime is found to be quite broad, spanning relatively small electric potentials between -200 and -550V. At -400V, the film right above an indented area generally carries a voltage which is 30-50V less negative than the non-indented background. In contrast with Seward's findings [G.H. Seward, Model for electrostatic imaging of forensic evidence via discharge through Mylar-paper path, J. Appl. Phys. 83 (3) (1998) 1450-1456; G.H. Seward, Practical implications of the charge transport model for electrostatic detection apparatus (ESDA), J. Forensic Sci. 44 (4) (1999) 832-836], a period of charge decay before image development is not required when operating in this optimal regime. A brief investigation of the role played by paper-to-paper friction during the indentation process is conducted using our optimized development method.

A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations

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

Fang, Dong; Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706; Duke, Robert E.

2015-07-28

A new method to account for long range electrostatic contributions is proposed and implemented for quantum mechanics/molecular mechanics long range electrostatic correction (QM/MM-LREC) calculations. This method involves the use of the minimum image convention under periodic boundary conditions and a new smoothing function for energies and forces at the cutoff boundary for the Coulomb interactions. Compared to conventional QM/MM calculations without long-range electrostatic corrections, the new method effectively includes effects on the MM environment in the primary image from its replicas in the neighborhood. QM/MM-LREC offers three useful features including the avoidance of calculations in reciprocal space (k-space), with themore » concomitant avoidance of having to reproduce (analytically or approximately) the QM charge density in k-space, and the straightforward availability of analytical Hessians. The new method is tested and compared with results from smooth particle mesh Ewald (PME) for three systems including a box of neat water, a double proton transfer reaction, and the geometry optimization of the critical point structures for the rate limiting step of the DNA dealkylase AlkB. As with other smoothing or shifting functions, relatively large cutoffs are necessary to achieve comparable accuracy with PME. For the double-proton transfer reaction, the use of a 22 Å cutoff shows a close reaction energy profile and geometries of stationary structures with QM/MM-LREC compared to conventional QM/MM with no truncation. Geometry optimization of stationary structures for the hydrogen abstraction step by AlkB shows some differences between QM/MM-LREC and the conventional QM/MM. These differences underscore the necessity of the inclusion of the long-range electrostatic contribution.« less

Electrostatic potential map modelling with COSY Infinity

NASA Astrophysics Data System (ADS)

Maloney, J. A.; Baartman, R.; Planche, T.; Saminathan, S.

2016-06-01

COSY Infinity (Makino and Berz, 2005) is a differential-algebra based simulation code which allows accurate calculation of transfer maps to arbitrary order. COSY's existing internal procedures were modified to allow electrostatic elements to be specified using an array of field potential data from the midplane. Additionally, a new procedure was created allowing electrostatic elements and their fringe fields to be specified by an analytic function. This allows greater flexibility in accurately modelling electrostatic elements and their fringe fields. Applied examples of these new procedures are presented including the modelling of a shunted electrostatic multipole designed with OPERA, a spherical electrostatic bender, and the effects of different shaped apertures in an electrostatic beam line.

Entropic and Electrostatic Effects on the Folding Free Energy of a Surface-Attached Biomolecule: An Experimental and Theoretical Study

PubMed Central

Watkins, Herschel M.; Vallée-Bélisle, Alexis; Ricci, Francesco; Makarov, Dmitrii E.; Plaxco, Kevin W.

2012-01-01

Surface-tethered biomolecules play key roles in many biological processes and biotechnologies. However, while the physical consequences of such surface attachment have seen significant theoretical study, to date this issue has seen relatively little experimental investigation. In response we present here a quantitative experimental and theoretical study of the extent to which attachment to a charged –but otherwise apparently inert– surface alters the folding free energy of a simple biomolecule. Specifically, we have measured the folding free energy of a DNA stem loop both in solution and when site-specifically attached to a negatively charged, hydroxyl-alkane-coated gold surface. We find that, whereas surface attachment is destabilizing at low ionic strength it becomes stabilizing at ionic strengths above ~130 mM. This behavior presumably reflects two competing mechanisms: excluded volume effects, which stabilize the folded conformation by reducing the entropy of the unfolded state, and electrostatics, which, at lower ionic strengths, destabilizes the more compact folded state via repulsion from the negatively charged surface. To test this hypothesis we have employed existing theories of the electrostatics of surface-bound polyelectrolytes and the entropy of surface-bound polymers to model both effects. Despite lacking any fitted parameters, these theoretical models quantitatively fit our experimental results, suggesting that, for this system, current knowledge of both surface electrostatics and excluded volume effects is reasonably complete and accurate. PMID:22239220

VHDL-AMS modelling and simulation of a planar electrostatic micromotor

NASA Astrophysics Data System (ADS)

Endemaño, A.; Fourniols, J. Y.; Camon, H.; Marchese, A.; Muratet, S.; Bony, F.; Dunnigan, M.; Desmulliez, M. P. Y.; Overton, G.

2003-09-01

System level simulation results of a planar electrostatic micromotor, based on analytical models of the static and dynamic torque behaviours, are presented. A planar variable capacitance (VC) electrostatic micromotor designed, fabricated and tested at LAAS (Toulouse) in 1995 is simulated using the high level language VHDL-AMS (VHSIC (very high speed integrated circuits) hardware description language-analog mixed signal). The analytical torque model is obtained by first calculating the overlaps and capacitances between different electrodes based on a conformal mapping transformation. Capacitance values in the order of 10-16 F and torque values in the order of 10-11 N m have been calculated in agreement with previous measurements and simulations from this type of motor. A dynamic model has been developed for the motor by calculating the inertia coefficient and estimating the friction-coefficient-based values calculated previously for other similar devices. Starting voltage results obtained from experimental measurement are in good agreement with our proposed simulation model. Simulation results of starting voltage values, step response, switching response and continuous operation of the micromotor, based on the dynamic model of the torque, are also presented. Four VHDL-AMS blocks were created, validated and simulated for power supply, excitation control, micromotor torque creation and micromotor dynamics. These blocks can be considered as the initial phase towards the creation of intellectual property (IP) blocks for microsystems in general and electrostatic micromotors in particular.

Chargeability measurements of selected pharmaceutical dry powders to assess their electrostatic charge control capabilities.

PubMed

Ramirez-Dorronsoro, Juan-Carlos; Jacko, Robert B; Kildsig, Dane O

2006-01-01

The purpose of this study was to develop an instrument (the Purdue instrument) and the corresponding methodologies to measure the electrostatic charge development (chargeability) of dry powders when they are in dynamic contact with stainless steel surfaces. The system used an inductive noncontact sensor located inside an aluminum Faraday cage and was optimized to measure the charging capabilities of a fixed volume of powder (0.5 cc). The chargeability of 5,5-diphenyl-hydantoin, calcium sulfate dihydrate, cimetidine, 3 grades of colloidal silicon dioxide, magnesium stearate, 4 grades of microcrystalline cellulose, salicylic acid, sodium carbonate, sodium salicylate, spray-dried lactose, and sulfinpyrazone were tested at 4 linear velocities, and the particle size distribution effect was assessed for 3 different grades of colloidal silicon dioxide and 4 different grades of microcrystalline cellulose. The chargeability values exhibited a linear relationship for the range of velocities studied, with colloidal silicon dioxide exhibiting the maximum negative chargeability and with spray-dried lactose being the only compound to exhibit positive chargeability. The instrument sensitivity was improved by a factor of 2 over the first generation version, and the electrostatic charge measurements were reproducible with relative standard deviations ranging from nondetectable to 33.7% (minimum of 3 replicates). These results demonstrate the feasibility of using the Purdue instrument to measure the electrostatic charge control capabilities of pharmaceutical dry powders with a reasonable level of precision.

The sliding-helix voltage sensor

PubMed Central

Peyser, Alexander; Nonner, Wolfgang

2012-01-01

The voltage sensor (VS) domain of voltage-gated ion channels underlies electrical excitability of living cells. We simulate a mesoscale model of the VS domain to determine the functional consequences of some of its physical elements. Our mesoscale model is based on VS charges, linear dielectrics and whole-body motion, applied to an S4 ‘sliding helix’. The electrostatics under voltage-clamped boundary conditions are solved consistently using a boundary element method. Based on electrostatic configurational energy, statistical-mechanical expectations of the experimentally observable relation between displaced charge and membrane voltage are predicted. Consequences of the model are investigated for variations of: S4 configuration (α- and 310-helical), countercharge alignment with S4 charges, protein polarizability, geometry of the gating canal, screening of S4 charges by the baths, and fixed charges located at the bath interfaces. The sliding helix VS domain has an inherent electrostatic stability in the explored parameter space: countercharges present in the region of weak dielectric always retain an equivalent S4 charge in that region but allow sliding movements displacing 3 to 4 e0. That movement is sensitive to small energy variations (< 2kT) along the path dependent on a number of electrostatic parameters tested in our simulations. These simulations show how the slope of the relation between displaced charge and voltage could be tuned in a channel. PMID:22907204

Substitution and Complementarity of Alcohol and Cannabis: A Review of the Literature.

PubMed

Subbaraman, Meenakshi Sabina

2016-09-18

Whether alcohol and cannabis are used as substitutes or complements remains debated, and findings across various disciplines have not been synthesized to date. This article is a first step towards organizing the interdisciplinary literature on alcohol and cannabis substitution and complementarity. Electronic searches were performed using PubMed and ISI Web of Knowledge. Behavioral studies of humans with "alcohol" (or "ethanol") and "cannabis" (or "marijuana") and "complement(*)" (or "substitut(*)") in the title or as a keyword were considered. Studies were organized according to sample characteristics (youth, general population, clinical and community-based). These groups were not set a priori, but were informed by the literature review process. Of the 39 studies reviewed, 16 support substitution, ten support complementarity, 12 support neither and one supports both. Results from studies of youth suggest that youth may reduce alcohol in more liberal cannabis environments (substitute), but reduce cannabis in more stringent alcohol environments (complement). Results from the general population suggest that substitution of cannabis for alcohol may occur under more lenient cannabis policies, though cannabis-related laws may affect alcohol use differently across genders and racial groups. Alcohol and cannabis act as both substitutes and complements. Policies aimed at one substance may inadvertently affect consumption of other substances. Future studies should collect fine-grained longitudinal, prospective data from the general population and subgroups of interest, especially in locations likely to legalize cannabis.

Solving multi-leader-common-follower games.

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

Leyffer, S.; Munson, T.; Mathematics and Computer Science

Multi-leader-common-follower games arise when modelling two or more competitive firms, the leaders, that commit to their decisions prior to another group of competitive firms, the followers, that react to the decisions made by the leaders. These problems lead in a natural way to equilibrium problems with equilibrium constraints (EPECs). We develop a characterization of the solution sets for these problems and examine a variety of nonlinear optimization and nonlinear complementarity formulations of EPECs. We distinguish two broad cases: problems where the leaders can cost-differentiate and problems with price-consistent followers. We demonstrate the practical viability of our approach by solving amore » range of medium-sized test problems.« less

Exploring the speed and performance of molecular replacement with AMPLE using QUARK ab initio protein models

PubMed Central

Keegan, Ronan M.; Bibby, Jaclyn; Thomas, Jens; Xu, Dong; Zhang, Yang; Mayans, Olga; Winn, Martyn D.; Rigden, Daniel J.

2015-01-01

AMPLE clusters and truncates ab initio protein structure predictions, producing search models for molecular replacement. Here, an interesting degree of complementarity is shown between targets solved using the different ab initio modelling programs QUARK and ROSETTA. Search models derived from either program collectively solve almost all of the all-helical targets in the test set. Initial solutions produced by Phaser after only 5 min perform surprisingly well, improving the prospects for in situ structure solution by AMPLE during synchrotron visits. Taken together, the results show the potential for AMPLE to run more quickly and successfully solve more targets than previously suspected. PMID:25664744

My family made me do it: the influence of family therapists' families of origin on their occupational choice.

PubMed

Goldklank, S

1986-06-01

This study is an empirical test and exploration of the folklore about family life correlates of family therapists' occupational choice. The folklore is translated into systems concepts, including role complementarity and the mutually determining effect of process and roles. Fifty-nine family therapists, 49 siblings of the therapists, and 51 undifferentiated, non-helping professionals were compared on FACES (29), The Complementary Role Questionnaire, and on demographic data. Inconsistencies in the results led to a critique of the clinical faithfulness of current systems measures. Family therapists did not differ on FACES, but did differ in aspects of roles from their siblings and from the control professionals.

Design, test, and calibration of an electrostatic beam position monitor

NASA Astrophysics Data System (ADS)

Cohen-Solal, Maurice

2010-03-01

The low beta of proton or ion beams favors an electrostatic pickup to measure the transverse beam centroid position. Often papers on beam position monitors (BPM) are focused on a particular aspect of the problem; however, it is important to consider all various issues of a position measurement system. Based on our experience at the IPHI (high intensity injector proton) facility at CEA-Saclay, this paper will address all aspects to design, test, and calibrate a BPM for proton linear accelerators, while emphasizing the determination of the absolute beam position. We present details of the readout electronics, and describe the calibration of the BPM using a test station. For calculation and simulation of the electrical signals we developed a Mathematica script. The error analysis presented, on the basis of six BPMs installed in the high energy section of IPHI, demonstrates the expected accuracy of the position measurement. These studies also identify the parameters that could improve the performance of the beam position control. The experience from these developments is currently being used for the BPM design and test stand dedicated to the Spiral2 accelerator at Ganil-Caen which will deliver heavy ion beams.

Experimental test of an online ion-optics optimizer

NASA Astrophysics Data System (ADS)

Amthor, A. M.; Schillaci, Z. M.; Morrissey, D. J.; Portillo, M.; Schwarz, S.; Steiner, M.; Sumithrarachchi, Ch.

2018-07-01

A technique has been developed and tested to automatically adjust multiple electrostatic or magnetic multipoles on an ion optical beam line - according to a defined optimization algorithm - until an optimal tune is found. This approach simplifies the process of determining high-performance optical tunes, satisfying a given set of optical properties, for an ion optical system. The optimization approach is based on the particle swarm method and is entirely model independent, thus the success of the optimization does not depend on the accuracy of an extant ion optical model of the system to be optimized. Initial test runs of a first order optimization of a low-energy (<60 keV) all-electrostatic beamline at the NSCL show reliable convergence of nine quadrupole degrees of freedom to well-performing tunes within a reasonable number of trial solutions, roughly 500, with full beam optimization run times of roughly two hours. Improved tunes were found both for quasi-local optimizations and for quasi-global optimizations, indicating a good ability of the optimizer to find a solution with or without a well defined set of initial multipole settings.

Electrostatics, structure prediction, and the energy landscapes for protein folding and binding.

PubMed

Tsai, Min-Yeh; Zheng, Weihua; Balamurugan, D; Schafer, Nicholas P; Kim, Bobby L; Cheung, Margaret S; Wolynes, Peter G

2016-01-01

While being long in range and therefore weakly specific, electrostatic interactions are able to modulate the stability and folding landscapes of some proteins. The relevance of electrostatic forces for steering the docking of proteins to each other is widely acknowledged, however, the role of electrostatics in establishing specifically funneled landscapes and their relevance for protein structure prediction are still not clear. By introducing Debye-Hückel potentials that mimic long-range electrostatic forces into the Associative memory, Water mediated, Structure, and Energy Model (AWSEM), a transferable protein model capable of predicting tertiary structures, we assess the effects of electrostatics on the landscapes of thirteen monomeric proteins and four dimers. For the monomers, we find that adding electrostatic interactions does not improve structure prediction. Simulations of ribosomal protein S6 show, however, that folding stability depends monotonically on electrostatic strength. The trend in predicted melting temperatures of the S6 variants agrees with experimental observations. Electrostatic effects can play a range of roles in binding. The binding of the protein complex KIX-pKID is largely assisted by electrostatic interactions, which provide direct charge-charge stabilization of the native state and contribute to the funneling of the binding landscape. In contrast, for several other proteins, including the DNA-binding protein FIS, electrostatics causes frustration in the DNA-binding region, which favors its binding with DNA but not with its protein partner. This study highlights the importance of long-range electrostatics in functional responses to problems where proteins interact with their charged partners, such as DNA, RNA, as well as membranes. © 2015 The Protein Society.

T-cell receptor repertoire variation may be associated with type 2 diabetes mellitus in humans.

PubMed

Frankl, Joseph A; Thearle, Marie S; Desmarais, Cindy; Bogardus, Clifton; Krakoff, Jonathan

2016-03-01

Recent work in Pima Indians, a population with high rates of obesity and type 2 diabetes mellitus (T2DM), demonstrated that human leukocyte antigen haplotype DRB1*02 carriers have an increased acute insulin response and decreased risk for the development of T2DM, implicating loss of self-tolerance in the pathogenesis of T2DM. Advances in genomic sequencing have made T-cell receptor repertoire analysis a practical mode of investigation. High-throughput sequencing of T-cell receptor complementarity-determining region 3 was carried out in male Pima Indians with normal glucose regulation (n = 11; age = 31 ± 8 years; %fat = 30.2 ± 8.7%) and the protective DRB1*02 haplotype versus those with T2DM without DRB1*02 (n = 7; age = 34 ± 8 years; %fat = 31.2 ± 4.7%). Findings were partially replicated in another cohort by assessing the predictive ability of T-cell receptor variation on risk of T2DM in Pima Indian men (n = 27; age = 28.9 ± 7.1 years; %fat = 28.8 ± 7.1%) and women (n = 20; age = 29 ± 7.0 years; %fat = 37.1 ± 6.8%) with baseline normal glucose regulation but without the protective haplotype who were invited to follow-up examinations as frequently as every 2 years where diabetes status was assessed by a 75-g oral glucose tolerance test. Of these subjects, 13 developed diabetes. T-cell receptor complementarity-determining region 3 length was shorter in those with T2DM, and a one-nucleotide decrease in complementarity-determining region 3 length was associated with a nearly threefold increase in risk for future diabetes. The frequency of one variable gene, TRBV7-8, was higher in those with T2DM. A 1% increase in TRBV7-8 frequency was associated with a greater than threefold increase in diabetes risk. These results indicate that T-cell autoimmunity may be an important component in progression to T2DM in Pima Indians. Copyright © 2015 John Wiley & Sons, Ltd.

Qualification of a Quantitative Method for Monitoring Aspartate Isomerization of a Monoclonal Antibody by Focused Peptide Mapping.

PubMed

Cao, Mingyan; Mo, Wenjun David; Shannon, Anthony; Wei, Ziping; Washabaugh, Michael; Cash, Patricia

Aspartate (Asp) isomerization is a common post-translational modification of recombinant therapeutic proteins that can occur during manufacturing, storage, or administration. Asp isomerization in the complementarity-determining regions of a monoclonal antibody may affect the target binding and thus a sufficiently robust quality control method for routine monitoring is desirable. In this work, we utilized a liquid chromatography-mass spectrometry (LC/MS)-based approach to identify the Asp isomerization in the complementarity-determining regions of a therapeutic monoclonal antibody. To quantitate the site-specific Asp isomerization of the monoclonal antibody, a UV detection-based quantitation assay utilizing the same LC platform was developed. The assay was qualified and implemented for routine monitoring of this product-specific modification. Compared with existing methods, this analytical paradigm is applicable to identify Asp isomerization (or other modifications) and subsequently develop a rapid, sufficiently robust quality control method for routine site-specific monitoring and quantitation to ensure product quality. This approach first identifies and locates a product-related impurity (a critical quality attribute) caused by isomerization, deamidation, oxidation, or other post-translational modifications, and then utilizes synthetic peptides and MS to assist the development of a LC-UV-based chromatographic method that separates and quantifies the product-related impurities by UV peaks. The established LC-UV method has acceptable peak specificity, precision, linearity, and accuracy; it can be validated and used in a good manufacturing practice environment for lot release and stability testing. Aspartate isomerization is a common post-translational modification of recombinant proteins during manufacture process and storage. Isomerization in the complementarity-determining regions (CDRs) of a monoclonal antibody A (mAb-A) has been detected and has been shown to have impact on the binding affinity to the antigen. In this work, we utilized a mass spectrometry-based peptide mapping approach to detect and quantitate the Asp isomerization in the CDRs of mAb-A. To routinely monitor the CDR isomerization of mAb-A, a focused peptide mapping method utilizing reversed phase chromatographic separation and UV detection has been developed and qualified. This approach is generally applicable to monitor isomerization and other post-translational modifications of proteins in a specific and high-throughput mode to ensure product quality. © PDA, Inc. 2016.

Complementarity in Spontaneous Emission: Quantum Jumps, Staggers and Slides

NASA Astrophysics Data System (ADS)

Wiseman, H.

Dan Walls is rightly famous for his part in many of the outstanding developments in quantum optics in the last 30 years. Two of these are most relevant to this paper. The first is the prediction of nonclassical properties of the fluorescence of a two-level atom, such as antibunching [1] and squeezing [2]. Both of these predictions have now been verified experimentally [3,4]. The second is the investigation of fundamental issues such as complementarity and the uncertainty principle [5,6]. This latter area is one which has generated a lively theoretical discussion [7], and, more importantly, suggested new experiments [8]. It was also an area in which I had the honour of working with Dan [9], and of gaining the benefit of his instinct for picking a fruitful line of investigation.

Black hole complementarity in gravity's rainbow

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

Gim, Yongwan; Kim, Wontae, E-mail: yongwan89@sogang.ac.kr, E-mail: wtkim@sogang.ac.kr

2015-05-01

To see how the gravity's rainbow works for black hole complementary, we evaluate the required energy for duplication of information in the context of black hole complementarity by calculating the critical value of the rainbow parameter in the certain class of the rainbow Schwarzschild black hole. The resultant energy can be written as the well-defined limit for the vanishing rainbow parameter which characterizes the deformation of the relativistic dispersion relation in the freely falling frame. It shows that the duplication of information in quantum mechanics could not be allowed below a certain critical value of the rainbow parameter; however, itmore » might be possible above the critical value of the rainbow parameter, so that the consistent formulation in our model requires additional constraints or any other resolutions for the latter case.« less

Effects of dielectric inhomogeneity on electrostatic twist rigidity of a helical biomolecule in Debye-Hückel regime

NASA Astrophysics Data System (ADS)

Rezaie-Dereshgi, Amir; Mohammad-Rafiee, Farshid

2018-04-01

The electrostatic interactions play a crucial role in biological systems. Here we consider an impermeable dielectric molecule in the solvent with a different dielectric constant. The electrostatic free energy in the problem is studied in the Debye-Hückel regime using the analytical Green function that is calculated in the paper. Using this electrostatic free energy, we study the electrostatic contribution to the twist rigidity of a double stranded helical molecule such as a DNA and an actin filament. The dependence of the electrostatic twist rigidity of the molecule to the dielectric inhomogeneity, structural parameters, and the salt concentration is studied. It is shown that, depending on the parameters, the electrostatic twist rigidity could be positive or negative.

Assessment and control of electrostatic charges. [hazards to space missions

NASA Technical Reports Server (NTRS)

Barrett, M.

1974-01-01

The experience is described of NASA and DOD with electrostatic problems, generation mechanisms, and type of electrostatic hazards. Guidelines for judging possible effects of electrostatic charges on space missions are presented along with mathematical formulas and definitions.

Combined effect of moisture and electrostatic charges on powder flow

NASA Astrophysics Data System (ADS)

Rescaglio, Antonella; Schockmel, Julien; Vandewalle, Nicolas; Lumay, Geoffroy

2017-06-01

It is well known in industrial applications involving powders and granular materials that the relative air humidity and the presence of electrostatic charges influence drastically the material flowing properties. The relative air humidity induces the formation of capillary bridges and modify the grain surface conductivity. The presence of capillary bridges produces cohesive forces. On the other hand, the apparition of electrostatic charges due to the triboelectric effect at the contacts between the grains and at the contacts between the grains and the container produces electrostatic forces. Therefore, in many cases, the powder cohesiveness is the result of the interplay between capillary and electrostatic forces. Unfortunately, the triboelectric effect is still poorly understood, in particular inside a granular material. Moreover, reproducible electrostatic measurements are difficult to perform. We developed an experimental device to measures the ability of a powder to charge electrostatically during a flow in contact with a selected material. Both electrostatic and flow measurements have been performed in different hygrometric conditions. The correlation between the powder electrostatic properties, the hygrometry and the flowing behavior are analyzed.

Electrostatic spraying in the chemical control of Triozoida limbata (Enderlein) (Hemiptera: Triozidae) in guava trees (Psidium guajava L.).

PubMed

Tavares, Rafael M; Cunha, João Par; Alves, Thales C; Bueno, Mariana R; Silva, Sérgio M; Zandonadi, César Hs

2017-06-01

Owing to the difficulty in reaching targets during pesticide applications on guava trees, it is important to evaluate new technologies that may improve pest management. In electrostatic spraying, an electric force is added to the droplets to control their movements such that they are efficiently directed to the target. The present study evaluated the performance of electrostatic and non-electrostatic spraying in the control of the guava psyllid, the deposition of the spray mixture on the leaves and the losses to the soil. The deposition of the spray mixture was up to 2 times greater when using electrostatic spraying in comparison with non-electrostatic application. The losses of the spray mixture to the soil were up to 4 times smaller with the electrostatic spraying. Electrostatic spraying had better control of the psyllid. It was possible to reduce the volume rate of application with electrostatic spraying without adversely affecting the control of the guava psyllid. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

ESD Test Apparatus for Soldering Irons

NASA Technical Reports Server (NTRS)

Sancho, Jose; Esser, Robert

2013-01-01

ESDA (Electrostatic Discharge Association) ESD STM 13.1-2000 requires frequent testing of the voltage leakage from the tip of a soldering iron and the resistance from the tip of the soldering iron to the common point ground. Without this test apparatus, the process is time-consuming and requires several wires, alligator clips, or test probes, as well as additional equipment. Soldering iron tips must be tested for electrostatic discharge risks frequently, and this typically takes a lot of time in setup and testing. This device enables the operator to execute the full test in one minute or less. This innovation is a simple apparatus that plugs into a digital multimeter (DMM) and the Common Point Ground (CPG) reference. It enables the user to perform two of the electrostatic discharge tests required in ESD STM 13.1-2000. The device consists of a small black box with two prongs sticking out of one end, two inputs on the opposite end (one of the inputs is used to connect the reference CPG to the DMM), and a metal tab on one side. Inside the box are wires, several washers of various materials, and assembly hardware (nuts and screws/bolts). The device is a passive electronic component that is plugged into a DMM. The operator sets the DMM to read voltage. The operator places the heated tip of the soldering iron onto the metal tab with a small amount of solder to ensure a complete connection. The voltage is read and recorded. The operator switches the DMM to read resistance. The operator places the heated tip of the soldering iron onto the metal tab with a small amount of solder to ensure a complete connection. The resistance is recorded. If the recorded voltage and resistance are below a number stated in ESDA ESD STM 13.1-2000, the test is considered to pass. The device includes all the necessary wiring internal to its body so the operator does not need to do any independent wiring, except for grounding. It uses a stack of high-thermal-resistance washers to minimize the heat transfer from the soldering iron to the wiring used to measure the resistance and voltages. This minimizes thermal error. The device allows very rapid execution of a test that is performed frequently.

QM/MM hybrid calculation of biological macromolecules using a new interface program connecting QM and MM engines

NASA Astrophysics Data System (ADS)

Hagiwara, Yohsuke; Ohta, Takehiro; Tateno, Masaru

2009-02-01

An interface program connecting a quantum mechanics (QM) calculation engine, GAMESS, and a molecular mechanics (MM) calculation engine, AMBER, has been developed for QM/MM hybrid calculations. A protein-DNA complex is used as a test system to investigate the following two types of QM/MM schemes. In a 'subtractive' scheme, electrostatic interactions between QM/MM regions are truncated in QM calculations; in an 'additive' scheme, long-range electrostatic interactions within a cut-off distance from QM regions are introduced into one-electron integration terms of a QM Hamiltonian. In these calculations, 338 atoms are assigned as QM atoms using Hartree-Fock (HF)/density functional theory (DFT) hybrid all-electron calculations. By comparing the results of the additive and subtractive schemes, it is found that electronic structures are perturbed significantly by the introduction of MM partial charges surrounding QM regions, suggesting that biological processes occurring in functional sites are modulated by the surrounding structures. This also indicates that the effects of long-range electrostatic interactions involved in the QM Hamiltonian are crucial for accurate descriptions of electronic structures of biological macromolecules.

Preparation of CNTs rope by electrostatic and airflow field carding with high speed rotor spinning

NASA Astrophysics Data System (ADS)

Dai, J. F.; Liu, J. F.; Zou, J. T.; Dai, Y. L.

2015-12-01

The large-scale preparation of disorderly CNTs with a length larger than 3 mm using CVD method were aligned in polymer monomer airflow fields in a quartz tube with an internal diameter of 200 μm and a length of 1.5 m. The airflow aligned CNTs at the output end of the pipe connects to a copper nozzle with an electrostatic field of applied voltage 5x105 V/m and space length of 0.03 m, which were further realigned using via electrostatic spinning. End to end spray into the high speed rotor twisted single-stranded carbon nanotubes threads via rotor spinning technology. The essential component of this technique was the use of carbon nanotubes at a high rotory speed (200000 r/min) combined with the double twisting of filaments that were twisted together to increase the radial friction of the entire section. SEM micrography showed that carbon nanotube thread has a uniform diameter of approximately 200 μm. Its tensile strength was tested up to 2.7 Gpa, with a length of several meters.

CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides

PubMed Central

Jana, Madhurima; MacKerell, Alexander D.

2015-01-01

An empirical all-atom CHARMM polarizable force filed for aldopentofuranoses and methyl-aldopentofuranosides based on the classical Drude oscillator is presented. A single electrostatic model is developed for eight different diastereoisomers of aldopentofuranoses by optimizing the existing electrostatic and bonded parameters as transferred from ethers, alcohols and hexopyranoses to reproduce quantum mechanical (QM) dipole moments, furanose-water interaction energies and conformational energies. Optimization of selected electrostatic and dihedral parameters was performed to generate a model for methyl-aldopentofuranosides. Accuracy of the model was tested by reproducing experimental data for crystal intramolecular geometries and lattice unit cell parameters, aqueous phase densities, and ring pucker and exocyclic rotamer populations as obtained from NMR experiments. In most cases the model is found to reproduce both QM data and experimental observables in an excellent manner, while for the remainder the level of agreement is in the satisfactory regimen. In aqueous phase simulations the monosaccharides have significantly enhanced dipoles as compared to the gas phase. The final model from this study is transferrable for future studies on carbohydrates and can be used with the existing CHARMM Drude polarizable force field for biomolecules. PMID:26018564

An analytical particle mover for the charge- and energy-conserving, nonlinearly implicit, electrostatic particle-in-cell algorithm

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.

2013-08-01

We propose a 1D analytical particle mover for the recent charge- and energy-conserving electrostatic particle-in-cell (PIC) algorithm in Ref. [G. Chen, L. Chacón, D.C. Barnes, An energy- and charge-conserving, implicit, electrostatic particle-in-cell algorithm, Journal of Computational Physics 230 (2011) 7018-7036]. The approach computes particle orbits exactly for a given piece-wise linear electric field. The resulting PIC algorithm maintains the exact charge and energy conservation properties of the original algorithm, but with improved performance (both in efficiency and robustness against the number of particles and timestep). We demonstrate the advantageous properties of the scheme with a challenging multiscale numerical test case, the ion acoustic wave. Using the analytical mover as a reference, we demonstrate that the choice of error estimator in the Crank-Nicolson mover has significant impact on the overall performance of the implicit PIC algorithm. The generalization of the approach to the multi-dimensional case is outlined, based on a novel and simple charge conserving interpolation scheme.

Aeroelastic flutter energy harvesters self-polarized by triboelectric effects

NASA Astrophysics Data System (ADS)

Perez, M.; Boisseau, S.; Geisler, M.; Gasnier, P.; Willemin, J.; Despesse, G.; Reboud, J. L.

2018-01-01

This paper presents the performances of several electrostatic flutter energy harvesters tested in a wind tunnel between 0 and 20 m s-1. The main idea is to use the flutter capability of thin flexible films confined between lateral walls to induce simultaneously the capacitance variations and the electrostatic polarization required by the triboelectric/electrostatic conversion. This technology provides thin and flexible devices and solve the electret’s stability issue (Perez et al 2015 Smart Mater. Struct., Perez et al 2015 New Circuits and Systems). Our prototypes (<16 cm2) have a quick startup (from 3 m s-1) and an electrical power-flux density from 0.35 μW cm-2@3 m s-1 (light breeze) to 35 μW cm-2@20 m s-1 (fresh gale). A Maximum Power Point circuit has been developed to efficiently use the power provided by the energy harvesters. The energy harvester combined with its power management circuit has finally been used to supply an 868 MHz wireless sensor node with temperature and acceleration measurements, validating the complete energy harvesting chain.

Ensuring a reliable satellite

NASA Astrophysics Data System (ADS)

Johnson, Charles E.; Persinger, Randy R.; Lemon, James J.; Volkert, Keith J.

Comprehensive testing and monitoring approaches have been formulated and implemented for Intelsat VI, which is the largest commercial satellite in service. An account is given of the ground test program from unit level through launch site activities, giving attention to the test data handling system. Test methods unique to Intelsat VI encompass near-field anechoic chamber antenna measurements, offloading 1-g deployment of solar cell and deflector antennas, and electrostatic discharge measurements. The problems accruing to the sheer size of this spacecraft are stressed.

Spray characteristics affected by physical properties of adjuvants

USDA-ARS?s Scientific Manuscript database

Four drift adjuvants, Array, In-Place, Vector and Control, were tested and physical properties and spray spectrum parameters measured. Array had the highest conductivity, indicating a good potential for the electrostatic charging, and the highest shear viscosity. All adjuvants had very similar neut...

Ion thruster project

NASA Technical Reports Server (NTRS)

Perche, G. E.

1984-01-01

The mercury bombardment electrostatic ion thruster is the most successful electric thruster available today. A 5 cm diameter ion thruster with 3,000 specific impulse and 5mN thrust is described. The advantages of electric propulsion and the tests that will be performed are also presented.

Spacecraft Electrostatic Radiation Shielding

NASA Technical Reports Server (NTRS)

2008-01-01

This project analyzed the feasibility of placing an electrostatic field around a spacecraft to provide a shield against radiation. The concept was originally proposed in the 1960s and tested on a spacecraft by the Soviet Union in the 1970s. Such tests and analyses showed that this concept is not only feasible but operational. The problem though is that most of this work was aimed at protection from 10- to 100-MeV radiation. We now appreciate that the real problem is 1- to 2-GeV radiation. So, the question is one of scaling, in both energy and size. Can electrostatic shielding be made to work at these high energy levels and can it protect an entire vehicle? After significant analysis and consideration, an electrostatic shield configuration was proposed. The selected architecture was a torus, charged to a high negative voltage, surrounding the vehicle, and a set of positively charged spheres. Van de Graaff generators were proposed as the mechanism to move charge from the vehicle to the torus to generate the fields necessary to protect the spacecraft. This design minimized complexity, residual charge, and structural forces and resolved several concerns raised during the internal critical review. But, it still is not clear if such a system is costeffective or feasible, even though several studies have indicated usefulness for radiation protection at energies lower than that of the galactic cosmic rays. Constructing such a system will require power supplies that can generate voltages 10 times that of the state of the art. Of more concern is the difficulty of maintaining the proper net charge on the entire structure and ensuring that its interaction with solar wind will not cause rapid discharge. Yet, if these concerns can be resolved, such a scheme may provide significant radiation shielding to future vehicles, without the excessive weight or complexity of other active shielding techniques.

Test of mutually unbiased bases for six-dimensional photonic quantum systems

PubMed Central

D'Ambrosio, Vincenzo; Cardano, Filippo; Karimi, Ebrahim; Nagali, Eleonora; Santamato, Enrico; Marrucci, Lorenzo; Sciarrino, Fabio

2013-01-01

In quantum information, complementarity of quantum mechanical observables plays a key role. The eigenstates of two complementary observables form a pair of mutually unbiased bases (MUBs). More generally, a set of MUBs consists of bases that are all pairwise unbiased. Except for specific dimensions of the Hilbert space, the maximal sets of MUBs are unknown in general. Even for a dimension as low as six, the identification of a maximal set of MUBs remains an open problem, although there is strong numerical evidence that no more than three simultaneous MUBs do exist. Here, by exploiting a newly developed holographic technique, we implement and test different sets of three MUBs for a single photon six-dimensional quantum state (a “qusix”), encoded exploiting polarization and orbital angular momentum of photons. A close agreement is observed between theory and experiments. Our results can find applications in state tomography, quantitative wave-particle duality, quantum key distribution. PMID:24067548

Test of mutually unbiased bases for six-dimensional photonic quantum systems.

PubMed

D'Ambrosio, Vincenzo; Cardano, Filippo; Karimi, Ebrahim; Nagali, Eleonora; Santamato, Enrico; Marrucci, Lorenzo; Sciarrino, Fabio

2013-09-25

In quantum information, complementarity of quantum mechanical observables plays a key role. The eigenstates of two complementary observables form a pair of mutually unbiased bases (MUBs). More generally, a set of MUBs consists of bases that are all pairwise unbiased. Except for specific dimensions of the Hilbert space, the maximal sets of MUBs are unknown in general. Even for a dimension as low as six, the identification of a maximal set of MUBs remains an open problem, although there is strong numerical evidence that no more than three simultaneous MUBs do exist. Here, by exploiting a newly developed holographic technique, we implement and test different sets of three MUBs for a single photon six-dimensional quantum state (a "qusix"), encoded exploiting polarization and orbital angular momentum of photons. A close agreement is observed between theory and experiments. Our results can find applications in state tomography, quantitative wave-particle duality, quantum key distribution.

Can niche plasticity promote biodiversity-productivity relationships through increased complementarity?

PubMed

Niklaus, Pascal A; Baruffol, Martin; He, Jin-Sheng; Ma, Keping; Schmid, Bernhard

2017-04-01

Most experimental biodiversity-ecosystem functioning research to date has addressed herbaceous plant communities. Comparably little is known about how forest communities will respond to species losses, despite their importance for global biogeochemical cycling. We studied tree species interactions in experimental subtropical tree communities with 33 distinct tree species mixtures and one, two, or four species. Plots were either exposed to natural light levels or shaded. Trees grew rapidly and were intensely competing above ground after 1.5 growing seasons when plots were thinned and the vertical distribution of leaves and wood determined by separating the biomass of harvested trees into 50 cm height increments. Our aim was to analyze effects of species richness in relation to the vertical allocation of leaf biomass and wood, with an emphasis on bipartite competitive interactions among species. Aboveground productivity increased with species richness. The community-level vertical leaf and wood distribution depended on the species composition of communities. Mean height and breadth of species-level vertical leaf and wood distributions did not change with species richness. However, the extra biomass produced by mixtures compared to monocultures of the component species increased when vertical leaf distributions of monocultures were more different. Decomposition of biodiversity effects with the additive partitioning scheme indicated positive complementarity effects that were higher in light than in shade. Selection effects did not deviate from zero, irrespective of light levels. Vertical leaf distributions shifted apart in mixed stands as consequence of competition-driven phenotypic plasticity, promoting realized complementarity. Structural equation models showed that this effect was larger for species that differed more in growth strategies that were characterized by functional traits. In 13 of the 18 investigated two-species mixtures, both species benefitted relative to intraspecific competition in monoculture. In the remaining five pairwise mixtures, the relative yield gain of one species exceeded the relative yield loss of the other species, resulting in a relative yield total (RYT) exceeding 1. Overall, our analysis indicates that richness-productivity relationships are promoted by interspecific niche complementarity at early stages of stand development, and that this effect is enhanced by architectural plasticity. © 2017 by the Ecological Society of America.

Structural basis for the auxin-induced transcriptional regulation by Aux/IAA17.

PubMed

Han, Mookyoung; Park, Yangshin; Kim, Iktae; Kim, Eun-Hee; Yu, Tae-Kyung; Rhee, Sangkee; Suh, Jeong-Yong

2014-12-30

Auxin is the central hormone that regulates plant growth and organ development. Transcriptional regulation by auxin is mediated by the auxin response factor (ARF) and the repressor, AUX/IAA. Aux/IAA associates with ARF via domain III-IV for transcriptional repression that is reversed by auxin-induced Aux/IAA degradation. It has been known that Aux/IAA and ARF form homo- and hetero-oligomers for the transcriptional regulation, but what determines their association states is poorly understood. Here we report, to our knowledge, the first solution structure of domain III-IV of Aux/IAA17 (IAA17), and characterize molecular interactions underlying the homotypic and heterotypic oligomerization. The structure exhibits a compact β-grasp fold with a highly dynamic insert helix that is unique in Aux/IAA family proteins. IAA17 associates to form a heterogeneous ensemble of front-to-back oligomers in a concentration-dependent manner. IAA17 and ARF5 associate to form homo- or hetero-oligomers using a common scaffold and binding interfaces, but their affinities vary significantly. The equilibrium dissociation constants (KD) for homo-oligomerization are 6.6 μM and 0.87 μM for IAA17 and ARF5, respectively, whereas hetero-oligomerization reveals a ∼ 10- to ∼ 100-fold greater affinity (KD = 73 nM). Thus, individual homo-oligomers of IAA17 and ARF5 spontaneously exchange their subunits to form alternating hetero-oligomers for transcriptional repression. Oligomerization is mainly driven by electrostatic interactions, so that charge complementarity at the interface determines the binding affinity. Variable binding affinity by surface charge modulation may effectively regulate the complex interaction network between Aux/IAA and ARF family proteins required for the transcriptional control of auxin-response genes.

Structure of the mouse sex peptide pheromone ESP1 reveals a molecular basis for specific binding to the class C G-protein-coupled vomeronasal receptor.

PubMed

Yoshinaga, Sosuke; Sato, Toru; Hirakane, Makoto; Esaki, Kaori; Hamaguchi, Takashi; Haga-Yamanaka, Sachiko; Tsunoda, Mai; Kimoto, Hiroko; Shimada, Ichio; Touhara, Kazushige; Terasawa, Hiroaki

2013-05-31

Exocrine gland-secreting peptide 1 (ESP1) is a sex pheromone that is released in male mouse tear fluids and enhances female sexual receptive behavior. ESP1 is selectively recognized by a specific class C G-protein-coupled receptor (GPCR), V2Rp5, among the hundreds of receptors expressed in vomeronasal sensory neurons (VSNs). The specific sensing mechanism of the mammalian peptide pheromone by the class C GPCR remains to be elucidated. Here we identified the minimal functional region needed to retain VSN-stimulating activity in ESP1 and determined its three-dimensional structure, which adopts a helical fold stabilized by an intramolecular disulfide bridge with extensive charged patches. We then identified the amino acids involved in the activation of VSNs by a structure-based mutational analysis, revealing that the highly charged surface is crucial for the ESP1 activity. We also demonstrated that ESP1 specifically bound to an extracellular region of V2Rp5 by an in vitro pulldown assay. Based on homology modeling of V2Rp5 using the structure of the metabotropic glutamate receptor, we constructed a docking model of the ESP1-V2Rp5 complex in which the binding interface exhibited good electrostatic complementarity. These experimental results, supported by the molecular docking simulations, reveal that charge-charge interactions determine the specificity of ESP1 binding to V2Rp5 in the large extracellular region characteristic of class C GPCRs. The present study provides insights into the structural basis for the narrowly tuned sensing of mammalian peptide pheromones by class C GPCRs.

Solution structure of the phosphoryl transfer complex between the cytoplasmic A domain of the mannitol transporter IIMannitol and HPr of the Escherichia coli phosphotransferase system.

PubMed

Cornilescu, Gabriel; Lee, Byeong Ryong; Cornilescu, Claudia C; Wang, Guangshun; Peterkofsky, Alan; Clore, G Marius

2002-11-01

The solution structure of the complex between the cytoplasmic A domain (IIA(Mtl)) of the mannitol transporter II(Mannitol) and the histidine-containing phosphocarrier protein (HPr) of the Escherichia coli phosphotransferase system has been solved by NMR, including the use of conjoined rigid body/torsion angle dynamics, and residual dipolar couplings, coupled with cross-validation, to permit accurate orientation of the two proteins. A convex surface on HPr, formed by helices 1 and 2, interacts with a complementary concave depression on the surface of IIA(Mtl) formed by helix 3, portions of helices 2 and 4, and beta-strands 2 and 3. The majority of intermolecular contacts are hydrophobic, with a small number of electrostatic interactions at the periphery of the interface. The active site histidines, His-15 of HPr and His-65 of IIA(Mtl), are in close spatial proximity, and a pentacoordinate phosphoryl transition state can be readily accommodated with no change in protein-protein orientation and only minimal perturbations of the backbone immediately adjacent to the histidines. Comparison with two previously solved structures of complexes of HPr with partner proteins of the phosphotransferase system, the N-terminal domain of enzyme I (EIN) and enzyme IIA(Glucose) (IIA(Glc)), reveals a number of common features despite the fact that EIN, IIA(Glc), and IIA(Mtl) bear no structural resemblance to one another. Thus, entirely different underlying structural elements can form binding surfaces for HPr that are similar in terms of both shape and residue composition. These structural comparisons illustrate the roles of surface and residue complementarity, redundancy, incremental build-up of specificity and conformational side chain plasticity in the formation of transient specific protein-protein complexes in signal transduction pathways.

The influence of salt chaotropicity, column hydrophobicity and analytes' molecular properties on the retention of pramipexole and its impurities.

PubMed

Vemić, Ana; Kalinić, Marko; Erić, Slavica; Malenović, Anđelija; Medenica, Mirjana

2015-03-20

The aim of this study was to examine the interaction of the chaotropic salts of different position in Hofmeister series (CF3COONa, NaClO4, NaPF6) added to the mobile phase with the stationary phases of different hydrophobicity (C8 and C18 XTerra(®) columns), as well as their common influence on the retention behavior of pramipexole and its structurally related impurities. The extended thermodynamic approach enabled the understanding of the underlying separation mechanism. Comparing six different column-salt systems it was observed that general system hydrophobicity presented by salt chaotropicity and column hydrophobicity favors stationary phase ion-pairing over the ion-pair formation in the eluent. Further, an attempt was made to describe the influence of analytes' nature on their retention behavior in such chromatographic systems. An analysis is performed in order to select and elucidate the molecular descriptors (electrostatical, quantum-chemical, geometrical, topological, and constitutional) that best explain the experimental evidence and findings obtained by the thermodynamic approach. The results of this analysis suggest that analytes' charge distribution and its complementarity to the structure of the electric double layer formed on the surface of the stationary phase upon the addition of chaotropic additives can be useful for understanding the differences in retention of structurally related analytes. These findings provide a novel understanding of the interactions between all the components of the chromatographic system containing chaotropic additive and a good basis for further investigations suggesting the development of generally applicable predictors in structure-retention relationship studies in related chromatographic systems. Copyright © 2015 Elsevier B.V. All rights reserved.

Charge-mediated Fab-Fc interactions in an IgG1 antibody induce reversible self-association, cluster formation, and elevated viscosity.

PubMed

Arora, Jayant; Hu, Yue; Esfandiary, Reza; Sathish, Hasige A; Bishop, Steven M; Joshi, Sangeeta B; Middaugh, C Russell; Volkin, David B; Weis, David D

Concentration-dependent reversible self-association (RSA) of monoclonal antibodies (mAbs) poses a challenge to their pharmaceutical development as viable candidates for subcutaneous delivery. While the role of the antigen-binding fragment (Fab) in initiating RSA is well-established, little evidence supports the involvement of the crystallizable fragment (Fc). In this report, a variety of biophysical tools, including hydrogen exchange mass spectrometry, are used to elucidate the protein interface of such non-covalent protein-protein interactions. Using dynamic and static light scattering combined with viscosity measurements, we find that an IgG1 mAb (mAb-J) undergoes RSA primarily through electrostatic interactions and forms a monomer-dimer-tetramer equilibrium. We provide the first direct experimental mapping of the interface formed between the Fab and Fc domains of an antibody at high protein concentrations. Charge distribution heterogeneity between the positively charged interface spanning complementarity-determining regions CDR3H and CDR2L in the Fab and a negatively charged region in C H 3/Fc domain mediates the RSA of mAb-J. When arginine and NaCl are added, they disrupt RSA of mAb-J and decrease the solution viscosity. Fab-Fc domain interactions between mAb monomers may promote the formation of large transient antibody complexes that ultimately cause increases in solution viscosity. Our findings illustrate how limited specific arrangements of amino-acid residues can cause mAbs to undergo RSA at high protein concentrations and how conserved regions in the Fc portion of the antibody can also play an important role in initiating weak and transient protein-protein interactions.

Crystal structure of the anti-(carcinoembryonic antigen) single-chain Fv antibody MFE-23 and a model for antigen binding based on intermolecular contacts.

PubMed

Boehm, M K; Corper, A L; Wan, T; Sohi, M K; Sutton, B J; Thornton, J D; Keep, P A; Chester, K A; Begent, R H; Perkins, S J

2000-03-01

MFE-23 is the first single-chain Fv antibody molecule to be used in patients and is used to target colorectal cancer through its high affinity for carcinoembryonic antigen (CEA), a cell-surface member of the immunoglobulin superfamily. MFE-23 contains an N-terminal variable heavy-chain domain joined by a (Gly(4)Ser)(3) linker to a variable light-chain (V(L)) domain (kappa chain) with an 11-residue C-terminal Myc-tag. Its crystal structure was determined at 2.4 A resolution by molecular replacement with an R(cryst) of 19.0%. Five of the six antigen-binding loops, L1, L2, L3, H1 and H2, conformed to known canonical structures. The sixth loop, H3, displayed a unique structure, with a beta-hairpin loop and a bifurcated apex characterized by a buried Thr residue. In the crystal lattice, two MFE-23 molecules were associated back-to-back in a manner not seen before. The antigen-binding site displayed a large acidic region located mainly within the H2 loop and a large hydrophobic region within the H3 loop. Even though this structure is unliganded within the crystal, there is an unusually large region of contact between the H1, H2 and H3 loops and the beta-sheet of the V(L) domain of an adjacent molecule (strands DEBA) as a result of intermolecular packing. These interactions exhibited remarkably high surface and electrostatic complementarity. Of seven MFE-23 residues predicted to make contact with antigen, five participated in these lattice contacts, and this model for antigen binding is consistent with previously reported site-specific mutagenesis of MFE-23 and its effect on CEA binding.

Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.

PubMed

Fenn, Timothy D; Schnieders, Michael J; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S; Brunger, Axel T

2011-04-13

Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints, and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here, we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen-bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. Copyright © 2011 Elsevier Ltd. All rights reserved.

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

PubMed Central

Fenn, Timothy D.; Schnieders, Michael J.; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S.; Brunger, Axel T.

2011-01-01

Summary Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a protein crystal structure were refined against joint neutron/X-ray diffraction data sets using force fields without electrostatics or with electrostatics. Hydrogen bond orientation/geometry favors the inclusion of electrostatics. Refinement of Z-DNA with electrostatics leads to a hypothesis for the entropic stabilization of Z-DNA that may partly explain the thermodynamics of converting the B form of DNA to its Z form. Thus, inclusion of electrostatics assists joint neutron/X-ray refinements, especially for placing and orienting hydrogen atoms. PMID:21481775

NASA Tech Briefs, November 2006

NASA Technical Reports Server (NTRS)

2006-01-01

Topics include: Simulator for Testing Spacecraft Separation Devices; Apparatus for Hot Impact Testing of Material Specimens; Instrument for Aircraft-Icing and Cloud-Physics Measurements; Advances in Measurement of Skin Friction in Airflow; Improved Apparatus for Testing Monoball Bearings; High-Speed Laser Scanner Maps a Surface in Three Dimensions; Electro-Optical Imaging Fourier-Transform Spectrometer; Infrared Instrument for Detecting Hydrogen Fires; Modified Coaxial Probe Feeds for Layered Antennas; Detecting Negative Obstacles by Use of Radar; Cryogenic Pound Circuits for Cryogenic Sapphire Oscillators; PixelLearn; New Software for Predicting Charging of Spacecraft; Conversion Between Osculating and Mean Orbital Elements; Generating a 2D Representation of a Complex Data Structure; Making Activated Carbon by Wet Pressurized Pyrolysis; Composite Solid Electrolyte Containing Li+- Conducting Fibers; Electrically Conductive Anodized Aluminum Surfaces; Rapid-Chill Cryogenic Coaxial Direct-Acting Solenoid Valve; Variable-Tension-Cord Suspension/Vibration- Isolation System; Techniques for Connecting Superconducting Thin Films; Versatile Friction Stir Welding/Friction Plug Welding System; Thermal Spore Exposure Vessels; Enumerating Spore-Forming Bacteria Airborne with Particles; Miniature Oxidizer Ionizer for a Fuel Cell; Miniature Ion-Array Spectrometer; Promoted-Combustion Chamber with Induction Heating Coil; Miniature Ion-Mobility Spectrometer; Mixed-Salt/Ester Electrolytes for Low-Temperature Li+ Cells; Miniature Free-Space Electrostatic Ion Thrusters; Miniature Bipolar Electrostatic Ion Thruster; Holographic Plossl Retroreflectors; Miniature Electrostatic Ion Thruster With Magnet; Using Apex To Construct CPM-GOMS Models; Sequence Detection for PPM Optical Communication With ISI; Algorithm for Rapid Searching Among Star-Catalog Entries; Expectation-Based Control of Noise and Chaos; Radio Heating of Lunar Soil to Release Gases; Using Electrostriction to Manipulate Ullage in Microgravity; Equations for Scoring Rules When Data Are Missing; Insulating Material for Next-Generation Spacecraft; and Pseudorandom Switching for Adding Radar to the AFF Sensor.

A MEMS square Chladni plate resonator

NASA Astrophysics Data System (ADS)

Pala, Sedat; Azgın, Kıvanç

2016-10-01

This paper presents the design, fabrication and tests of a micro-fabricated MEMS ‘Chladni’ plate resonator. The proposed MEMS resonator has a square plate geometry having a side length of 1400 µm and a height of 35 µm. Its geometry and electrode layout are designed to analyze and test as many modes as possible. The MEMS plate is fabricated using a silicon-on-insulator process with a 35 µm thick < \\text{1} \\text{1} \\text{1}> silicon layer on a glass substrate. Transverse vibration of the plate is investigated to obtain closed form natural frequencies and mode shapes, which are derived using the Rayleigh-Ritz energy method, with an electrostatic softening effect included. Closed form equations for the calculation of effective stiffness’, masses and natural frequencies of the two modes (mode (1,1) and mode (2,0)-(0,2)) are presented, with and without electrostatic softening. The analytical model is verified for those modes by finite-element simulations, frequency response tests in vacuum and laser Doppler vibrometer (LDV) experiments. The derived model deviates from the finite-element analysis by 3.35% for mode (1,1) and 6.15% for mode (2,0)-(0,2). For verification, the frequency responses of the plates are measured with both electrostatic excitation-detection at around 20 mTorr vacuum ambient and LDV at around 0.364 mTorr vacuum ambient. The resonance frequency and Q-factor of mode (1,1) are measured to be 104.2 kHz and 14 300, respectively. For mode (2,0)-(0,2), the measured resonance frequency and Q-factor are 156.68 kHz and 10 700, respectively. The presented LDV results also support both natural frequencies of interest and corresponding mode shapes of the plate structure.

Electrostatic forces in planetary rings

NASA Technical Reports Server (NTRS)

Goertz, C. K.; Shan, Linhua; Havnes, O.

1988-01-01

The average charge on a particle in a particle-plasma cloud, the plasma potential inside the cloud, and the Coulomb force acting on the particle are calculated. The net repulsive electrostatic force on a particle depends on the plasma density, temperature, density of particles, particle size, and the gradient of the particle density. In a uniformly dense ring the electrostatic repulsion is zero. It is also shown that the electrostatic force acts like a pressure force, that even a collisionless ring can be stable against gravitational collapse, and that a finite ring thickness does not necessarily imply a finite velocity dispersion. A simple criterion for the importance of electrostatic forces in planetary rings is derived which involves the calculation of the vertical ring thickness which would result if only electrostatic repulsion were responsible for the finite ring thickness. Electrostatic forces are entirely negligible in the main rings of Saturn and the E and G rings. They may also be negligible in the F ring. However, the Uranian rings and Jupiter's ring seem to be very much influenced by electrostatic repulsion. In fact, electrostatic forces could support a Jovian ring which is an order of magnitude more dense than observed.

DEPPDB - DNA electrostatic potential properties database. Electrostatic properties of genome DNA elements.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Krutinina, Eugenia A; Kamzolova, Svetlana G

2012-04-01

Electrostatic properties of genome DNA are important to its interactions with different proteins, in particular, related to transcription. DEPPDB - DNA Electrostatic Potential (and other Physical) Properties Database - provides information on the electrostatic and other physical properties of genome DNA combined with its sequence and annotation of biological and structural properties of genomes and their elements. Genomes are organized on taxonomical basis, supporting comparative and evolutionary studies. Currently, DEPPDB contains all completely sequenced bacterial, viral, mitochondrial, and plastids genomes according to the NCBI RefSeq, and some model eukaryotic genomes. Data for promoters, regulation sites, binding proteins, etc., are incorporated from established DBs and literature. The database is complemented by analytical tools. User sequences calculations are available. Case studies discovered electrostatics complementing DNA bending in E.coli plasmid BNT2 promoter functioning, possibly affecting host-environment metabolic switch. Transcription factors binding sites gravitate to high potential regions, confirming the electrostatics universal importance in protein-DNA interactions beyond the classical promoter-RNA polymerase recognition and regulation. Other genome elements, such as terminators, also show electrostatic peculiarities. Most intriguing are gene starts, exhibiting taxonomic correlations. The necessity of the genome electrostatic properties studies is discussed.

Deppdb--DNA electrostatic potential properties database: electrostatic properties of genome DNA.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Kamzolova, Svetlana G

2010-06-01

The electrostatic properties of genome DNA influence its interactions with different proteins, in particular, the regulation of transcription by RNA-polymerases. DEPPDB--DNA Electrostatic Potential Properties Database--was developed to hold and provide all available information on the electrostatic properties of genome DNA combined with its sequence and annotation of biological and structural properties of genome elements and whole genomes. Genomes in DEPPDB are organized on a taxonomical basis. Currently, the database contains all the completely sequenced bacterial and viral genomes according to NCBI RefSeq. General properties of the genome DNA electrostatic potential profile and principles of its formation are revealed. This potential correlates with the GC content but does not correspond to it exactly and strongly depends on both the sequence arrangement and its context (flanking regions). Analysis of the promoter regions for bacterial and viral RNA polymerases revealed a correspondence between the scale of these proteins' physical properties and electrostatic profile patterns. We also discovered a direct correlation between the potential value and the binding frequency of RNA polymerase to DNA, supporting the idea of the role of electrostatics in these interactions. This matches a pronounced tendency of the promoter regions to possess higher values of the electrostatic potential.

Electrostatic design and beam transport for a folded tandem electrostatic quadrupole accelerator facility for accelerator-based boron neutron capture therapy.

PubMed

Vento, V Thatar; Bergueiro, J; Cartelli, D; Valda, A A; Kreiner, A J

2011-12-01

Within the frame of an ongoing project to develop a folded Tandem-Electrostatic-Quadrupole (TESQ) accelerator facility for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT), we discuss here the electrostatic design of the machine, including the accelerator tubes with electrostatic quadrupoles and the simulations for the transport and acceleration of a high intensity beam. Copyright © 2011 Elsevier Ltd. All rights reserved.

The Stiffness Variation of a Micro-Ring Driven by a Traveling Piecewise-Electrode

PubMed Central

Li, Yingjie; Yu, Tao; Hu, Yuh-Chung

2014-01-01

In the practice of electrostatically actuated micro devices; the electrostatic force is implemented by sequentially actuated piecewise-electrodes which result in a traveling distributed electrostatic force. However; such force was modeled as a traveling concentrated electrostatic force in literatures. This article; for the first time; presents an analytical study on the stiffness variation of microstructures driven by a traveling piecewise electrode. The analytical model is based on the theory of shallow shell and uniform electrical field. The traveling electrode not only applies electrostatic force on the circular-ring but also alters its dynamical characteristics via the negative electrostatic stiffness. It is known that; when a structure is subjected to a traveling constant force; its natural mode will be resonated as the traveling speed approaches certain critical speeds; and each natural mode refers to exactly one critical speed. However; for the case of a traveling electrostatic force; the number of critical speeds is more than that of the natural modes. This is due to the fact that the traveling electrostatic force makes the resonant frequencies of the forward and backward traveling waves of the circular-ring different. Furthermore; the resonance and stability can be independently controlled by the length of the traveling electrode; though the driving voltage and traveling speed of the electrostatic force alter the dynamics and stabilities of microstructures. This paper extends the fundamental insights into the electromechanical behavior of microstructures driven by electrostatic forces as well as the future development of MEMS/NEMS devices with electrostatic actuation and sensing. PMID:25230308

The stiffness variation of a micro-ring driven by a traveling piecewise-electrode.

PubMed

Li, Yingjie; Yu, Tao; Hu, Yuh-Chung

2014-09-16

In the practice of electrostatically actuated micro devices; the electrostatic force is implemented by sequentially actuated piecewise-electrodes which result in a traveling distributed electrostatic force. However; such force was modeled as a traveling concentrated electrostatic force in literatures. This article; for the first time; presents an analytical study on the stiffness variation of microstructures driven by a traveling piecewise electrode. The analytical model is based on the theory of shallow shell and uniform electrical field. The traveling electrode not only applies electrostatic force on the circular-ring but also alters its dynamical characteristics via the negative electrostatic stiffness. It is known that; when a structure is subjected to a traveling constant force; its natural mode will be resonated as the traveling speed approaches certain critical speeds; and each natural mode refers to exactly one critical speed. However; for the case of a traveling electrostatic force; the number of critical speeds is more than that of the natural modes. This is due to the fact that the traveling electrostatic force makes the resonant frequencies of the forward and backward traveling waves of the circular-ring different. Furthermore; the resonance and stability can be independently controlled by the length of the traveling electrode; though the driving voltage and traveling speed of the electrostatic force alter the dynamics and stabilities of microstructures. This paper extends the fundamental insights into the electromechanical behavior of microstructures driven by electrostatic forces as well as the future development of MEMS/NEMS devices with electrostatic actuation and sensing.

50 CFR Appendix A to Part 679 - Performance and Technical Requirements for Scales Used To Weigh Catch at Sea in the Groundfish...

Code of Federal Regulations, 2014 CFR

2014-10-01

... Voltage Variation A.3.4Short Time Power Reduction A.3.5Bursts A.3.6Electrostatic Discharge A.3... time of the test. 2.2.1.2Zero Load Tests. For zero load tests conducted in a laboratory or on a scale... other material weighed on the scale; and vi. The date and time the information is printed. b. For the...

50 CFR Appendix A to Part 679 - Performance and Technical Requirements for Scales Used To Weigh Catch at Sea in the Groundfish...

Code of Federal Regulations, 2012 CFR

2012-10-01

... Voltage Variation A.3.4Short Time Power Reduction A.3.5Bursts A.3.6Electrostatic Discharge A.3... time of the test. 2.2.1.2Zero Load Tests. For zero load tests conducted in a laboratory or on a scale... other material weighed on the scale; and vi. The date and time the information is printed. b. For the...

50 CFR Appendix A to Part 679 - Performance and Technical Requirements for Scales Used To Weigh Catch at Sea in the Groundfish...

Code of Federal Regulations, 2011 CFR

2011-10-01

... Voltage Variation A.3.4Short Time Power Reduction A.3.5Bursts A.3.6Electrostatic Discharge A.3... time of the test. 2.2.1.2Zero Load Tests. For zero load tests conducted in a laboratory or on a scale... other material weighed on the scale; and vi. The date and time the information is printed. b. For the...

50 CFR Appendix A to Part 679 - Performance and Technical Requirements for Scales Used To Weigh Catch at Sea in the Groundfish...

Code of Federal Regulations, 2010 CFR

2010-10-01

... Voltage Variation A.3.4Short Time Power Reduction A.3.5Bursts A.3.6Electrostatic Discharge A.3... time of the test. 2.2.1.2Zero Load Tests. For zero load tests conducted in a laboratory or on a scale... other material weighed on the scale; and vi. The date and time the information is printed. b. For the...

50 CFR Appendix A to Part 679 - Performance and Technical Requirements for Scales Used To Weigh Catch at Sea in the Groundfish...

Code of Federal Regulations, 2013 CFR

2013-10-01

... Voltage Variation A.3.4Short Time Power Reduction A.3.5Bursts A.3.6Electrostatic Discharge A.3... time of the test. 2.2.1.2Zero Load Tests. For zero load tests conducted in a laboratory or on a scale... other material weighed on the scale; and vi. The date and time the information is printed. b. For the...

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Electrostatic x-ray imaging system. 892.1630... (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1630 Electrostatic x-ray imaging system. (a) Identification. An electrostatic x-ray imaging system is a device intended for medical...

21 CFR 892.1630 - Electrostatic x-ray imaging system.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Electrostatic x-ray imaging system. 892.1630... (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1630 Electrostatic x-ray imaging system. (a) Identification. An electrostatic x-ray imaging system is a device intended for medical...

Experiments Using a Ground-Based Electrostatic Levitator and Numerical Modeling of Melt Convection for the Iron-Cobalt System in Support of Space Experiments

NASA Astrophysics Data System (ADS)

Lee, Jonghyun; SanSoucie, Michael P.

2017-08-01

Materials research is being conducted using an electromagnetic levitator installed in the International Space Station. Various metallic alloys were tested to elucidate unknown links among the structures, processes, and properties. To accomplish the mission of these space experiments, several ground-based activities have been carried out. This article presents some of our ground-based supporting experiments and numerical modeling efforts. Mass evaporation of Fe50Co50, one of flight compositions, was predicted numerically and validated by the tests using an electrostatic levitator (ESL). The density of various compositions within the Fe-Co system was measured with ESL. These results are being served as reference data for the space experiments. The convection inside a electromagnetically-levitated droplet was also modeled to predict the flow status, shear rate, and convection velocity under various process parameters, which is essential information for designing and analyzing the space experiments of some flight compositions influenced by convection.

Electrostatic Hazard Considerations for ODC Solvent Replacement Selection Testing

NASA Technical Reports Server (NTRS)

Fairbourn, Brad

1999-01-01

ODC solvents are used to clean many critical substrates during solid rocket motor production operations. Electrostatic charge generation incidental to these cleaning operations can pose a major safety issue. Therefore, while determining the acceptability of various ODC replacement cleaners, one aspect of the selection criteria included determining the extent of electric charge generation during a typical solvent cleaning operation. A total of six candidate replacement cleaners, sixteen critical substrates, and two types of cleaning swatch materials were studied in simulated cleaning operations. Charge generation and accumulation effects were investigated by measuring the peak voltage and brush discharging effects associated with each cleaning process combination. In some cases, charge generation was found to be very severe. Using the conductivity information for each cleaner, the peak voltage data could in some cases, be qualitatively predicted. Test results indicated that severe charging effects could result in brush discharges that could potentially result in flash fire hazards when occurring in close proximity to flammable vapor/air mixtures. Process controls to effectively mitigate these hazards are discussed.

Improved transmission of electrostatic accelerator in a wide range of terminal voltages by controlling the focal strength of entrance acceleration tube

NASA Astrophysics Data System (ADS)

Lobanov, Nikolai R.; Tunningley, Thomas; Linardakis, Peter

2018-04-01

Tandem electrostatic accelerators often require the flexibility to operate at a variety of terminal voltages to accommodate various user requirements. However, the ion beam transmission will only be optimal for a limited range of terminal voltages. This paper describes the operational performance of a novel focusing system that expands the range of terminal voltages for optimal transmission. This is accomplished by controlling the gradient of the entrance of the low-energy tube, providing an additional focusing element. In this specific case it is achieved by applying up to 150 kV to the fifth electrode of the first unit of the accelerator tube. Numerical simulations and beam transmission tests have been performed to confirm the effectiveness of the lens. An analytical expression has been derived describing its focal properties. These tests demonstrate that the entrance lens control eliminates the need to short out sections of the tube for operation at low terminal voltage.

Numerical Study of Electrostatic Field Distortion on LPTPC End-Plates based on Bulk Micromegas Modules

NASA Astrophysics Data System (ADS)

Bhattacharya, Purba; Bhattacharya, Deb Sankar; Mukhopadhyay, Supratik; Majumdar, Nayana; Bhattacharya, Sudeb; Colas, Paul; Attié, David

2018-02-01

The R&D activities for the linear collider TPC (LC-TPC) are currently working on the adoption of the micro pattern devices for the gaseous amplification stage. Several beam tests have been carried out at DESY with a 5 GeV electron beam in a 1 T superconducting magnet. We worked on a large prototype TPC with an end-plate that was built, for the first time, using seven resistive bulk Micromegas modules. During experiments, reduced signal sensitivity was observed at the boundary of these modules. Electrostatic field distortion near the module boundaries was considered to be the possible major reason behind these observations. In the present work, we will explore this hypothesis through numerical simulation. Our aim has been to understand the origin of distortions observed close to the edges of the test beam modules and to explore the possibility of using the Garfield simulation framework for investigating a phenomenon as complex as distortion.

Antimicrobial nanoparticle-coated electrostatic air filter with high filtration efficiency and low pressure drop.

PubMed

Sim, Kyoung Mi; Park, Hyun-Seol; Bae, Gwi-Nam; Jung, Jae Hee

2015-11-15

In this study, we demonstrated an antimicrobial nanoparticle-coated electrostatic (ES) air filter. Antimicrobial natural-product Sophora flavescens nanoparticles were produced using an aerosol process, and were continuously deposited onto the surface of air filter media. For the electrostatic activation of the filter medium, a corona discharge electrification system was used before and after antimicrobial treatment of the filter. In the antimicrobial treatment process, the deposition efficiency of S. flavescens nanoparticles on the ES filter was ~12% higher than that on the pristine (Non-ES) filter. In the evaluation of filtration performance using test particles (a nanosized KCl aerosol and submicron-sized Staphylococcus epidermidis bioaerosol), the ES filter showed better filtration efficiency than the Non-ES filter. However, antimicrobial treatment with S. flavescens nanoparticles affected the filtration efficiency of the filter differently depending on the size of the test particles. While the filtration efficiency of the KCl nanoparticles was reduced on the ES filter after the antimicrobial treatment, the filtration efficiency was improved after the recharging process. In summary, we prepared an antimicrobial ES air filter with >99% antimicrobial activity, ~92.5% filtration efficiency (for a 300-nm KCl aerosol), and a ~0.8 mmAq pressure drop (at 13 cm/s). This study provides valuable information for the development of a hybrid air purification system that can serve various functions and be used in an indoor environment. Copyright © 2015 Elsevier B.V. All rights reserved.

The chemical enhancement of the triboelectric separation of coal from pyrite and ash: A novel approach for electrostatic separation of mineral matter from coal. Final report

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

Gustafson, R.M.; DiMare, S.; Sabatini, J.

1992-02-01

Arthur D. Little, Inc., under contract to the US DOE Pittsburgh Energy Technology Center, has developed a triboelectric separation device for coal beneficiation, that employs an entrained-flow, rotating-cylinder concept. The described apparatus has been used to test the efficacy of chemical pretreatment and in-situ treatment of coal on separation efficiency. Coal particle entrainment is achieved with gaseous carbon dioxide and particle collection is accomplished by an electrostatic plate separator. The triboelectric separation device incorporates instrumentation for the direct measurement of charge in the dilute-phase particle stream. Some of the pretreatment materials investigated under this project to modify the surface chargingmore » characteristics of the coal included oleic acid, sodium oleate, quinoline and dicyclohexylamine. Ammonia and sulfur dioxide at a concentration up to 1000 ppM was used for in-situ treatment of the coal, with carbon dioxide as the carrier/inerting gas. Nitrogen was used earlier in the test program as the carrier/inerting gas for the coal, but a severe arcing problem was encountered in the electrostatic collector with nitrogen as the carrier gas. This problem did not occur when carbon dioxide was used. The report covers the chemical treatment employed, and summarizes and interprets the results achieved. In addition, an economic analysis of a full scale system based on this concept is presented.« less

Charge Shielding of PIP2 by Cations Regulates Enzyme Activity of Phospholipase C

PubMed Central

Seo, Jong Bae; Jung, Seung-Ryoung; Huang, Weigang; Zhang, Qisheng; Koh, Duk-Su

2015-01-01

Hydrolysis of phosphatidylinositol 4,5-bisphosphate (PIP2) of the plasma membrane by phospholipase C (PLC) generates two critical second messengers, inositol-1,4,5-trisphosphate and diacylglycerol. For the enzymatic reaction, PIP2 binds to positively charged amino acids in the pleckstrin homology domain of PLC. Here we tested the hypothesis that positively charged divalent and multivalent cations accumulate around the negatively charged PIP2, a process called electrostatic charge shielding, and therefore inhibit electrostatic PIP2-PLC interaction. This charge shielding of PIP2 was measured quantitatively with an in vitro enzyme assay using WH-15, a PIP2 analog, and various recombinant PLC proteins (β1, γ1, and δ1). Reduction of PLC activity by divalent cations, polyamines, and neomycin was well described by a theoretical model considering accumulation of cations around PIP2 via their electrostatic interaction and chemical binding. Finally, the charge shielding of PIP2 was also observed in live cells. Perfusion of the cations into cells via patch clamp pipette reduced PIP2 hydrolysis by PLC as triggered by M1 muscarinic receptors with a potency order of Mg2+ < spermine4+ < neomycin6+. Accumulation of divalent cations into cells through divalent-permeable TRPM7 channel had the same effect. Altogether our results suggest that Mg2+ and polyamines modulate the activity of PLCs by controlling the amount of free PIP2 available for the enzymes and that highly charged biomolecules can be inactivated by counterions electrostatically. PMID:26658739

Separation of non-ferrous metals from ASR by corona electrostatic separation

NASA Astrophysics Data System (ADS)

Kim, Yang-soo; Choi, Jin-Young; Jeon, Ho-Seok; Han, Oh-Hyung; Park, Chul-Hyun

2016-04-01

Automotive shredder residue (ASR), the residual fraction of approximate 25% obtained after dismantling and shredding from waste car, consists of polymers (plastics and rubber), metals (ferrous and non-ferrous), wood, glass and fluff (textile and fiber). ASR cannot be effectively separated due to its heterogeneous materials and coated or laminated complexes and then largely deposited in land-fill sites as waste. Thus reducing a pollutant release before disposal, techniques that can improve the liberation of coated (or laminated) complexes and the recovery of valuable metals from the shredder residue are needed. ASR may be separated by a series of physical processing operations such as comminution, air, magnetic and electrostatic separations. The work deals with the characterization of the shredder residue coming from an industrial plant in korea and focuses on estimating the optimal conditions of corona electrostatic separation for improving the separation efficiency of valuable non-ferrous metals such as aluminum, copper and etc. From the results of test, the maximum separation achievable for non-ferrous metals using a corona electrostatic separation has been shown to be recovery of 92.5% at a grade of 75.8%. The recommended values of the process variables, particle size, electrode potential, drum speed, splitter position and relative humidity are -6mm, 50 kV, 35rpm, 20° and less 40%, respectively. Acknowledgments This study was supported by the R&D Center for Valuable Recycling (Global-Top R&BD Program) of the Ministry of Environment. (Project No. GT-11-C-01-170-0)

Shape optimization of electrostatically driven microcantilevers using simulated annealing to enhance static travel range

NASA Astrophysics Data System (ADS)

Trivedi, R. R.; Joglekar, M. M.; Shimpi, R. P.; Pawaskar, D. N.

2013-12-01

The objective of this paper is to present a systematic development of the generic shape optimization of elec- trostatically actuated microcantilever beams for extending their static travel range. Electrostatic actuators are widely used in micro electro mechanical system (MEMS) devices because of low power density and ease of fab- rication. However, their useful travel range is often restricted by a phenomenon known as pull-in instability. The Rayleigh- Ritz energy method is used for computation of pull-in parameters which includes electrostatic potential and fringing field effect. Appropriate width function and linear thickness functions are employed along the length of the non-prismatic beam to achieve enhanced travel range. Parameters used for varying the thick- ness and width functions are optimized using simulated annealing with pattern search method towards the end to refine the results. Appropriate penalties are imposed on the violation of volume, width, thickness and area constraints. Nine test cases are considered for demonstration of the said optimization method. Our results indicate that around 26% increase in the travel range of a non-prismatic beam can be achieved after optimiza- tion compared to that in a prismatic beam having the same volume. Our results also show an improvement in the pull-in displacement of around 5% compared to that of a variable width constant thickness actuator. We show that simulated annealing is an effective and flexible method to carry out design optimization of structural elements under electrostatic loading.

Atomic Forces for Geometry-Dependent Point Multipole and Gaussian Multipole Models

PubMed Central

Elking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.

2010-01-01

In standard treatments of atomic multipole models, interaction energies, total molecular forces, and total molecular torques are given for multipolar interactions between rigid molecules. However, if the molecules are assumed to be flexible, two additional multipolar atomic forces arise due to 1) the transfer of torque between neighboring atoms, and 2) the dependence of multipole moment on internal geometry (bond lengths, bond angles, etc.) for geometry-dependent multipole models. In the current study, atomic force expressions for geometry-dependent multipoles are presented for use in simulations of flexible molecules. The atomic forces are derived by first proposing a new general expression for Wigner function derivatives ∂Dlm′m/∂Ω. The force equations can be applied to electrostatic models based on atomic point multipoles or Gaussian multipole charge density. Hydrogen bonded dimers are used to test the inter-molecular electrostatic energies and atomic forces calculated by geometry-dependent multipoles fit to the ab initio electrostatic potential (ESP). The electrostatic energies and forces are compared to their reference ab initio values. It is shown that both static and geometry-dependent multipole models are able to reproduce total molecular forces and torques with respect to ab initio, while geometry-dependent multipoles are needed to reproduce ab initio atomic forces. The expressions for atomic force can be used in simulations of flexible molecules with atomic multipoles. In addition, the results presented in this work should lead to further development of next generation force fields composed of geometry-dependent multipole models. PMID:20839297

Charge Shielding of PIP2 by Cations Regulates Enzyme Activity of Phospholipase C.

PubMed

Seo, Jong Bae; Jung, Seung-Ryoung; Huang, Weigang; Zhang, Qisheng; Koh, Duk-Su

2015-01-01

Hydrolysis of phosphatidylinositol 4,5-bisphosphate (PIP2) of the plasma membrane by phospholipase C (PLC) generates two critical second messengers, inositol-1,4,5-trisphosphate and diacylglycerol. For the enzymatic reaction, PIP2 binds to positively charged amino acids in the pleckstrin homology domain of PLC. Here we tested the hypothesis that positively charged divalent and multivalent cations accumulate around the negatively charged PIP2, a process called electrostatic charge shielding, and therefore inhibit electrostatic PIP2-PLC interaction. This charge shielding of PIP2 was measured quantitatively with an in vitro enzyme assay using WH-15, a PIP2 analog, and various recombinant PLC proteins (β1, γ1, and δ1). Reduction of PLC activity by divalent cations, polyamines, and neomycin was well described by a theoretical model considering accumulation of cations around PIP2 via their electrostatic interaction and chemical binding. Finally, the charge shielding of PIP2 was also observed in live cells. Perfusion of the cations into cells via patch clamp pipette reduced PIP2 hydrolysis by PLC as triggered by M1 muscarinic receptors with a potency order of Mg2+ < spermine4+ < neomycin6+. Accumulation of divalent cations into cells through divalent-permeable TRPM7 channel had the same effect. Altogether our results suggest that Mg2+ and polyamines modulate the activity of PLCs by controlling the amount of free PIP2 available for the enzymes and that highly charged biomolecules can be inactivated by counterions electrostatically.

EFM data mapped into 2D images of tip-sample contact potential difference and capacitance second derivative.

PubMed

Lilliu, S; Maragliano, C; Hampton, M; Elliott, M; Stefancich, M; Chiesa, M; Dahlem, M S; Macdonald, J E

2013-11-27

We report a simple technique for mapping Electrostatic Force Microscopy (EFM) bias sweep data into 2D images. The method allows simultaneous probing, in the same scanning area, of the contact potential difference and the second derivative of the capacitance between tip and sample, along with the height information. The only required equipment consists of a microscope with lift-mode EFM capable of phase shift detection. We designate this approach as Scanning Probe Potential Electrostatic Force Microscopy (SPP-EFM). An open-source MATLAB Graphical User Interface (GUI) for images acquisition, processing and analysis has been developed. The technique is tested with Indium Tin Oxide (ITO) and with poly(3-hexylthiophene) (P3HT) nanowires for organic transistor applications.

Secondary emission conductivity of high purity silica fabric

NASA Technical Reports Server (NTRS)

Belanger, V. J.; Eagles, A. E.

1977-01-01

High purity silica fabrics were proposed for use as a material to control the effects of electrostatic charging of satellites at synchronous altitudes. These materials exhibited very quiet behavior when placed in simulated charging environments as opposed to other dielectrics used for passive thermal control which exhibit varying degrees of electrical arcing. Secondary emission conductivity is proposed as a mechanism for this superior behavior. Design of experiments to measure this phenomena and data taken on silica fabrics are discussed as they relate to electrostatic discharge (ESD) control on geosynchronous orbit spacecraft. Studies include the apparent change in resistivity of the material as a function of the electron beam energy, flux intensity, and the effect of varying electric fields impressed across the material under test.

The use of shale ash in dry mix construction materials

NASA Astrophysics Data System (ADS)

Gulbe, L.; Setina, J.; Juhnevica, I.

2017-10-01

The research was made to determine the use of shale ash usage in dry mix construction materials by replacing part of cement amount. Cement mortar ZM produced by SIA Sakret and two types of shale ashes from Narva Power plant (cyclone ash and electrostatic precipitator ash) were used. Fresh mortar properties, hardened mortar bulk density, thermal conductivity (λ10, dry) (table value) were tested in mortar ZM samples and mortar samples in which 20% of the amount of cement was replaced by ash. Compressive strenght, frost resistance and resistance to sulphate salt solutions were checked. It was stated that the use of electrostatic precipitator ash had a little change of the material properties, but the cyclone ash significantly reduced the mechanical strength of the material.

Limiting assumptions in molecular modeling: electrostatics.

PubMed

Marshall, Garland R

2013-02-01

Molecular mechanics attempts to represent intermolecular interactions in terms of classical physics. Initial efforts assumed a point charge located at the atom center and coulombic interactions. It is been recognized over multiple decades that simply representing electrostatics with a charge on each atom failed to reproduce the electrostatic potential surrounding a molecule as estimated by quantum mechanics. Molecular orbitals are not spherically symmetrical, an implicit assumption of monopole electrostatics. This perspective reviews recent evidence that requires use of multipole electrostatics and polarizability in molecular modeling.

Quantification of in vivo site-specific Asp isomerization and Asn deamidation of mAbs in animal serum using IP-LC-MS.

PubMed

Mehl, John T; Sleczka, Bogdan G; Ciccimaro, Eugene F; Kozhich, Alexander T; Gilbertson, Deb G; Vuppugalla, Ragini; Huang, Christine S; Stevens, Brenda; Mo, Jingjie; Deyanova, Ekaterina G; Wang, Yun; Huang, Richard Yc; Chen, Guodong; Olah, Timothy V

2016-08-01

Isomerization of aspartic acid and deamidation of asparagine are two common amino acid modifications that are of particular concern if located within the complementarity-determining region of therapeutic antibodies. Questions arise as to the extent of modification occurring in circulation due to potential exposure of the therapeutic antibody to different pH regimes. To enable evaluation of site-specific isomerization and deamidation of human mAbs in vivo, immunoprecipitation (IP) has been combined with LC-MS providing selective enrichment, separation and detection of naive and modified forms of tryptic peptides comprising complementarity-determining region sequences. IP-LC-MS can be applied to simultaneously quantify in vivo drug concentrations and measure the extent of isomerization or deamidation in PK studies conducted during the drug discovery stage.

Household adoption of energy and water-efficient appliances: An analysis of attitudes, labelling and complementary green behaviours in selected OECD countries.

PubMed

Dieu-Hang, To; Grafton, R Quentin; Martínez-Espiñeira, Roberto; Garcia-Valiñas, Maria

2017-07-15

Using a household-based data set of more than 12,000 households from 11 OECD countries, we analyse the factors underlying the decision by households to adopt energy-efficient and water-efficient equipment. We evaluate the roles of both attitudes and labelling schemes on the adoption of energy and water-efficient equipment, and also the interaction and complementarity between energy and water conservation behaviours. Our findings show: one, 'green' social norms and favourable attitudes towards the environment are associated with an increased likelihood of households' adoption of energy and water-efficient appliances; two, households' purchase decisions are positively affected by their awareness, understanding, and trust of labelling schemes; and three, there is evidence of complementarity between energy conservation and water conservation behaviours. Copyright © 2017 Elsevier Ltd. All rights reserved.

A wave function for stock market returns

NASA Astrophysics Data System (ADS)

Ataullah, Ali; Davidson, Ian; Tippett, Mark

2009-02-01

The instantaneous return on the Financial Times-Stock Exchange (FTSE) All Share Index is viewed as a frictionless particle moving in a one-dimensional square well but where there is a non-trivial probability of the particle tunneling into the well’s retaining walls. Our analysis demonstrates how the complementarity principle from quantum mechanics applies to stock market prices and of how the wave function presented by it leads to a probability density which exhibits strong compatibility with returns earned on the FTSE All Share Index. In particular, our analysis shows that the probability density for stock market returns is highly leptokurtic with slight (though not significant) negative skewness. Moreover, the moments of the probability density determined under the complementarity principle employed here are all convergent - in contrast to many of the probability density functions on which the received theory of finance is based.

"It's best not to think about it at all-like the new taxes": Reality, observer, and complementarity in Bohr and Pauli

NASA Astrophysics Data System (ADS)

Plotnitsky, Arkady

2012-12-01

This article considers the concepts of reality, observer, and complementarity in Pauli and Bohr, and the similarities and, especially, differences in their understanding of these concepts, differences defined most essentially by their respective views of the role of the human observer in quantum measurement. These differences are significant even in the case of their respective interpretations of quantum phenomena and quantum mechanics, where the influence of Bohr's ideas on Pauli's understanding of quantum physics is particularly strong. They become especially strong and even radical in the case of their overall philosophical visions, where the impact of Jungean psychology, coupled to that of the earlier archetypal thinking of such figures as Kepler and Fludd, drives Pauli's thinking ever further away from that of Bohr.

Accelerator and reactor complementarity in coherent neutrino-nucleus scattering

NASA Astrophysics Data System (ADS)

Dent, James B.; Dutta, Bhaskar; Liao, Shu; Newstead, Jayden L.; Strigari, Louis E.; Walker, Joel W.

2018-02-01

We study the complementarity between accelerator and reactor coherent elastic neutrino-nucleus elastic scattering (CE ν NS ) experiments for constraining new physics in the form of nonstandard neutrino interactions (NSI). First, considering just data from the recent observation by the Coherent experiment, we explore interpretive degeneracies that emerge when activating either two or four unknown NSI parameters. Next, we demonstrate that simultaneous treatment of reactor and accelerator experiments, each employing at least two distinct target materials, can break a degeneracy between up and down flavor-diagonal NSI terms that survives analysis of neutrino oscillation experiments. Considering four flavor-diagonal (e e /μ μ ) up- and down-type NSI parameters, we find that all terms can be measured with high local precision (to a width as small as ˜5 % in Fermi units) by next-generation experiments, although discrete reflection ambiguities persist.

An evolutionary conserved pattern of 18S rRNA sequence complementarity to mRNA 5′ UTRs and its implications for eukaryotic gene translation regulation

PubMed Central

Pánek, Josef; Kolář, Michal; Vohradský, Jiří; Shivaya Valášek, Leoš

2013-01-01

There are several key mechanisms regulating eukaryotic gene expression at the level of protein synthesis. Interestingly, the least explored mechanisms of translational control are those that involve the translating ribosome per se, mediated for example via predicted interactions between the ribosomal RNAs (rRNAs) and mRNAs. Here, we took advantage of robustly growing large-scale data sets of mRNA sequences for numerous organisms, solved ribosomal structures and computational power to computationally explore the mRNA–rRNA complementarity that is statistically significant across the species. Our predictions reveal highly specific sequence complementarity of 18S rRNA sequences with mRNA 5′ untranslated regions (UTRs) forming a well-defined 3D pattern on the rRNA sequence of the 40S subunit. Broader evolutionary conservation of this pattern may imply that 5′ UTRs of eukaryotic mRNAs, which have already emerged from the mRNA-binding channel, may contact several complementary spots on 18S rRNA situated near the exit of the mRNA binding channel and on the middle-to-lower body of the solvent-exposed 40S ribosome including its left foot. We discuss physiological significance of this structurally conserved pattern and, in the context of previously published experimental results, propose that it modulates scanning of the 40S subunit through 5′ UTRs of mRNAs. PMID:23804757

Rescuing complementarity with little drama

NASA Astrophysics Data System (ADS)

Bao, Ning; Bouland, Adam; Chatwin-Davies, Aidan; Pollack, Jason; Yuen, Henry

2016-12-01

The AMPS paradox challenges black hole complementarity by apparently constructing a way for an observer to bring information from the outside of the black hole into its interior if there is no drama at its horizon, making manifest a violation of monogamy of entanglement. We propose a new resolution to the paradox: this violation cannot be explicitly checked by an infalling observer in the finite proper time they have to live after crossing the horizon. Our resolution depends on a weak relaxation of the no-drama condition (we call it "little-drama") which is the "complementarity dual" of scrambling of information on the stretched horizon. When translated to the description of the black hole interior, this implies that the fine-grained quantum information of infalling matter is rapidly diffused across the entire interior while classical observables and coarse-grained geometry remain unaffected. Under the assumption that information has diffused throughout the interior, we consider the difficulty of the information-theoretic task that an observer must perform after crossing the event horizon of a Schwarzschild black hole in order to verify a violation of monogamy of entanglement. We find that the time required to complete a necessary subroutine of this task, namely the decoding of Bell pairs from the interior and the late radiation, takes longer than the maximum amount of time that an observer can spend inside the black hole before hitting the singularity. Therefore, an infalling observer cannot observe monogamy violation before encountering the singularity.

AVC: Selecting discriminative features on basis of AUC by maximizing variable complementarity.

PubMed

Sun, Lei; Wang, Jun; Wei, Jinmao

2017-03-14

The Receiver Operator Characteristic (ROC) curve is well-known in evaluating classification performance in biomedical field. Owing to its superiority in dealing with imbalanced and cost-sensitive data, the ROC curve has been exploited as a popular metric to evaluate and find out disease-related genes (features). The existing ROC-based feature selection approaches are simple and effective in evaluating individual features. However, these approaches may fail to find real target feature subset due to their lack of effective means to reduce the redundancy between features, which is essential in machine learning. In this paper, we propose to assess feature complementarity by a trick of measuring the distances between the misclassified instances and their nearest misses on the dimensions of pairwise features. If a misclassified instance and its nearest miss on one feature dimension are far apart on another feature dimension, the two features are regarded as complementary to each other. Subsequently, we propose a novel filter feature selection approach on the basis of the ROC analysis. The new approach employs an efficient heuristic search strategy to select optimal features with highest complementarities. The experimental results on a broad range of microarray data sets validate that the classifiers built on the feature subset selected by our approach can get the minimal balanced error rate with a small amount of significant features. Compared with other ROC-based feature selection approaches, our new approach can select fewer features and effectively improve the classification performance.

Rescuing complementarity with little drama

DOE PAGES

Bao, Ning; Bouland, Adam; Chatwin-Davies, Aidan; ...

2016-12-07

The AMPS paradox challenges black hole complementarity by apparently constructing a way for an observer to bring information from the outside of the black hole into its interior if there is no drama at its horizon, making manifest a violation of monogamy of entanglement. We propose a new resolution to the paradox: this violation cannot be explicitly checked by an infalling observer in the finite proper time they have to live after crossing the horizon. Our resolution depends on a weak relaxation of the no-drama condition (we call it “little-drama”) which is the “complementarity dual” of scrambling of information onmore » the stretched horizon. When translated to the description of the black hole interior, this implies that the fine-grained quantum information of infalling matter is rapidly diffused across the entire interior while classical observables and coarse-grained geometry remain unaffected. Under the assumption that information has diffused throughout the interior, we consider the difficulty of the information-theoretic task that an observer must perform after crossing the event horizon of a Schwarzschild black hole in order to verify a violation of monogamy of entanglement. We find that the time required to complete a necessary subroutine of this task, namely the decoding of Bell pairs from the interior and the late radiation, takes longer than the maximum amount of time that an observer can spend inside the black hole before hitting the singularity. Furthermore, an infalling observer cannot observe monogamy violation before encountering the singularity.« less

Categorizing the telehealth policy response of countries and their implications for complementarity of telehealth policy.

PubMed

Varghese, Sunil; Scott, Richard E

2004-01-01

Developing countries are exploring the role of telehealth to overcome the challenges of providing adequate health care services. However, this process faces disparities, and no complementarity in telehealth policy development. Telehealth has the potential to transcend geopolitical boundaries, yet telehealth policy developed in one jurisdiction may hamper applications in another. Understanding such policy complexities is essential for telehealth to realize its full global potential. This study investigated 12 East Asian countries that may represent a microcosm of the world, to determine if the telehealth policy response of countries could be categorized, and whether any implications could be identified for the development of complementary telehealth policy. The countries were Cambodia, China, Hong Kong, Indonesia, Japan, Malaysia, Myanmar, Singapore, South Korea, Taiwan, Thailand, and Vietnam. Three categories of country response were identified in regard to national policy support and development. The first category was "None" (Cambodia, Myanmar, and Vietnam) where international partners, driven by humanitarian concerns, lead telehealth activity. The second category was "Proactive" (China, Indonesia, Malaysia, Singapore, South Korea, Taiwan, and Thailand) where national policies were designed with the view that telehealth initiatives are a component of larger development objectives. The third was "Reactive" (Hong Kong and Japan), where policies were only proffered after telehealth activities were sustainable. It is concluded that although complementarity of telehealth policy development is not occurring, increased interjurisdictional telehealth activity, regional clusters, and concerted and coordinated effort amongst researchers, practitioners, and policy makers may alter this trend.

Substitution and complementarity of alcohol and cannabis: A review of the literature

PubMed Central

2016-01-01

Background Whether alcohol and cannabis are used as substitutes or complements remains debated, and findings across various disciplines have not been synthesized to date. Objective This paper is a first step towards organizing the interdisciplinary literature on alcohol and cannabis substitution and complementarity. Method Electronic searches were performed using PubMed and ISI Web of Knowledge. Behavioral studies of humans with ‘alcohol’ (or ‘ethanol’) and ‘cannabis’ (or ‘marijuana”) and ‘complement*’ (or ‘substitut*’) in the title or as a keyword were considered. Studies were organized according to sample characteristics (youth, general population, clinical and community-based). These groups were not set a priori, but were informed by the literature review process. Results Of the 39 studies reviewed, 16 support substitution, ten support complementarity, 12 support neither and one supports both. Results from studies of youth suggest that youth may reduce alcohol in more liberal cannabis environments (substitute), but reduce cannabis in more stringent alcohol environments (complement). Results from the general population suggest that substitution of cannabis for alcohol may occur under more lenient cannabis policies, though cannabis-related laws may affect alcohol use differently across genders and racial groups. Conclusions Alcohol and cannabis act as both substitutes and complements. Policies aimed at one substance may inadvertently affect consumption of other substances. Future studies should collect fine-grained longitudinal, prospective data from the general population and subgroups of interest, especially in locations likely to legalize cannabis. PMID:27249324

The origin of the 5S ribosomal RNA molecule could have been caused by a single inverse duplication: strong evidence from its sequences.

PubMed

Branciamore, Sergio; Di Giulio, Massimo

2012-04-01

The secondary structure of the 5S ribosomal RNA (5S rRNA) molecule shows a high degree of symmetry. In order to explain the origin of this symmetry, it has been conjectured that one half of the 5S rRNA molecule was its precursor and that an indirect duplication of this precursor created the other half and thus the current symmetry of the molecule. Here, we have subjected to an empirical test both the indirect duplication model, analysing a total of 684 5S rRNA sequences for complementarity between the two halves of the 5S rRNA, and the direct duplication model analysing in this case the similarity between the two halves of this molecule. In intra- and inter-molecule and intra- and inter-domain comparisons, we find a high statistical support to the hypothesis of a complementarity relationship between the two halves of the 5S rRNA molecule, denying vice versa the hypothesis of similarity between these halves. Therefore, these observations corroborate the indirect duplication model at the expense of the direct duplication model, as reason of the origin of the 5S rRNA molecule. More generally, we discuss and favour the hypothesis that all RNAs and proteins, which present symmetry, did so through gene duplication and not by gradualistic accumulation of few monomers or segments of molecule into a gradualistic growth process. This would be the consequence of the very high propensity that nucleic acids have to be subjected to duplications.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, A.; Sabirianov, R. F.; Mei, W. N.; Namavar, F.; Khoynezhad, A.

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach.

PubMed

Rubinstein, A; Sabirianov, R F; Mei, W N; Namavar, F; Khoynezhad, A

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Electrostatic particle trap for ion beam sputter deposition

DOEpatents

Vernon, Stephen P.; Burkhart, Scott C.

2002-01-01

A method and apparatus for the interception and trapping of or reflection of charged particulate matter generated in ion beam sputter deposition. The apparatus involves an electrostatic particle trap which generates electrostatic fields in the vicinity of the substrate on which target material is being deposited. The electrostatic particle trap consists of an array of electrode surfaces, each maintained at an electrostatic potential, and with their surfaces parallel or perpendicular to the surface of the substrate. The method involves interception and trapping of or reflection of charged particles achieved by generating electrostatic fields in the vicinity of the substrate, and configuring the fields to force the charged particulate material away from the substrate. The electrostatic charged particle trap enables prevention of charged particles from being deposited on the substrate thereby enabling the deposition of extremely low defect density films, such as required for reflective masks of an extreme ultraviolet lithography (EUVL) system.

Impact of electrostatic and conventional sprayers characteristics on dispersion of barrier spray

USDA-ARS?s Scientific Manuscript database

A study was conducted to analyze the performance of three electrostatic (Electrolon BP-2.5TM, Spectrum Electrostatic 4010, and Spectrum Electrostatic head on a Stihl 420) and two conventional (Buffalo Turbine CSM2 and Stihl 420) sprayers for barrier sprays to suppress an adult mosquito population in...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2012 CFR

2012-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2014 CFR

2014-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2013 CFR

2013-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

40 CFR 60.5175 - How do I establish operating limits if I do not use a wet scrubber, fabric filter, electrostatic...

Code of Federal Regulations, 2011 CFR

2011-07-01

... I do not use a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection..., fabric filter, electrostatic precipitator, activated carbon injection, or afterburner, or if I limit... device other than a wet scrubber, fabric filter, electrostatic precipitator, activated carbon injection...

A new constituent of electrostatic energy in semiconductors. An attempt to reformulate electrostatic energy in matter

NASA Astrophysics Data System (ADS)

Sallese, Jean-Michel

2016-06-01

The concept of electric energy is revisited in detail for semiconductors. We come to the conclusion that the main relationship used to calculate the energy related to the penetration of the electric field in semiconductors is missing a fundamental term. For instance, spatial derivate of the electrostatic energy using the traditional formula fails at giving the correct electrostatic force between semiconductor based capacitor plates, and reveals unambiguously the existence of an extra contribution to the standard electrostatic free energy. The additional term is found to be related to the generation of space charge regions which are predicted when combining electrostatics with semiconductor physics laws, such as for accumulation and inversion layers. On the contrary, no such energy is needed when relying on electrostatics only, as for instance when adopting the so-called full depletion approximation. The same holds for neutral and charged insulators that are still consistent with the customary definition, but these two examples are in fact singular cases. In semiconductors for instance, this additional energy can largely exceed the energy gained by the dipoles, thus becoming the dominant term. This unexpected result clearly asks for a generalization of electrostatic energy in matter in order to reconcile basic concepts of electrostatic energy in the framework of classical physics.

The two sides of complement C3d: evolution of electrostatics in a link between innate and adaptive immunity.

PubMed

Kieslich, Chris A; Morikis, Dimitrios

2012-01-01

The interaction between complement fragment C3d and complement receptor 2 (CR2) is a key aspect of complement immune system activation, and is a component in a link between innate and adaptive immunities. The complement immune system is an ancient mechanism for defense, and can be found in species that have been on Earth for the last 600 million years. However, the link between the complement system and adaptive immunity, which is formed through the association of the B-cell co-receptor complex, including the C3d-CR2 interaction, is a much more recent adaptation. Human C3d and CR2 have net charges of -1 and +7 respectively, and are believed to have evolved favoring the role of electrostatics in their functions. To investigate the role of electrostatics in the function and evolution of human C3d and CR2, we have applied electrostatic similarity methods to identify regions of evolutionarily conserved electrostatic potential based on 24 homologues of complement C3d and 4 homologues of CR2. We also examine the effects of structural perturbation, as introduced through molecular dynamics and mutations, on spatial distributions of electrostatic potential to identify perturbation resistant regions, generated by so-called electrostatic "hot-spots". Distributions of electrostatic similarity based on families of perturbed structures illustrate the presence of electrostatic "hot-spots" at the two functional sites of C3d, while the surface of CR2 lacks electrostatic "hot-spots" despite its excessively positive nature. We propose that the electrostatic "hot-spots" of C3d have evolved to optimize its dual-functionality (covalently attaching to pathogen surfaces and interaction with CR2), which are both necessary for the formation B-cell co-receptor complexes. Comparison of the perturbation resistance of the electrostatic character of the homologues of C3d suggests that there was an emergence of a new role of electrostatics, and a transition in the function of C3d, after the divergence of jawless fish.

The Two Sides of Complement C3d: Evolution of Electrostatics in a Link between Innate and Adaptive Immunity

PubMed Central

Kieslich, Chris A.; Morikis, Dimitrios

2012-01-01

The interaction between complement fragment C3d and complement receptor 2 (CR2) is a key aspect of complement immune system activation, and is a component in a link between innate and adaptive immunities. The complement immune system is an ancient mechanism for defense, and can be found in species that have been on Earth for the last 600 million years. However, the link between the complement system and adaptive immunity, which is formed through the association of the B-cell co-receptor complex, including the C3d-CR2 interaction, is a much more recent adaptation. Human C3d and CR2 have net charges of −1 and +7 respectively, and are believed to have evolved favoring the role of electrostatics in their functions. To investigate the role of electrostatics in the function and evolution of human C3d and CR2, we have applied electrostatic similarity methods to identify regions of evolutionarily conserved electrostatic potential based on 24 homologues of complement C3d and 4 homologues of CR2. We also examine the effects of structural perturbation, as introduced through molecular dynamics and mutations, on spatial distributions of electrostatic potential to identify perturbation resistant regions, generated by so-called electrostatic “hot-spots”. Distributions of electrostatic similarity based on families of perturbed structures illustrate the presence of electrostatic “hot-spots” at the two functional sites of C3d, while the surface of CR2 lacks electrostatic “hot-spots” despite its excessively positive nature. We propose that the electrostatic “hot-spots” of C3d have evolved to optimize its dual-functionality (covalently attaching to pathogen surfaces and interaction with CR2), which are both necessary for the formation B-cell co-receptor complexes. Comparison of the perturbation resistance of the electrostatic character of the homologues of C3d suggests that there was an emergence of a new role of electrostatics, and a transition in the function of C3d, after the divergence of jawless fish. PMID:23300422

Statistical analysis of an inter-laboratory comparison of small-scale safety and thermal testing of RDX

DOE PAGES

Brown, Geoffrey W.; Sandstrom, Mary M.; Preston, Daniel N.; ...

2014-11-17

In this study, the Integrated Data Collection Analysis (IDCA) program has conducted a proficiency test for small-scale safety and thermal (SSST) testing of homemade explosives (HMEs). Described here are statistical analyses of the results from this test for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Class 5 Type II standard. The material was tested as a well-characterized standard several times during the proficiency test to assess differences among participants and the range of results that may arise for well-behaved explosive materials.

Critical Evaluation of Air-Liquid Interface Cell Exposure Systems for in Vitro Assessment of Atmospheric Pollutants

EPA Science Inventory

We compared various in vitro exposure systems for their ability to expose cells to particles and gases. The systems tested use different mechanisms to deliver multi-pollutants to the cells: diffusion, sedimentation, thermophoresis (THP) and electrostatic precipitation (ESP). Vari...

76 FR 2832 - National Emission Standards for Hazardous Air Pollutants From the Portland Cement Manufacturing...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-18

... operated and is not dominant in its field. After considering the economic impact of this direct final rule... electrostatic precipitator) during the D/F performance test is 400 [deg]F or less, this limit is changed to 0.4...

Electromagnetic Spectrum Test and Evaluation Process

DTIC Science & Technology

2010-01-01

HERO , hazards of electromagnetic radiation to ordnance ; HERP, hazards of electromagnetic radiation to personnel; HERF, hazards of electromagnetic ... electromagnetic pulse (EMP); electronic protection; electrostatic dis- charge (ESD); hazards of electromagnetic radi- ation to personnel (HERP), ordnance ...including ordnance containing electrically initiated devices, to be mutually compatible in their intended

Electrets and Electrostatic Measurement

ERIC Educational Resources Information Center

Varney, R. N.; Hahn, H. T.

1975-01-01

Electrets, the electrical counterparts of magnets, are polarized dielectrics that are permanent on a scale of months. Describes procedures for making electrets out of plastic sheets like Mylar, for testing them and measuring their pole strengths, and for establishing necessary and sufficient demonstrations that they are not simply surface charged.…

Internal kinematics and dynamical models of dwarf spheroidal galaxies around the Milky Way

NASA Astrophysics Data System (ADS)

Battaglia, Giuseppina; Helmi, Amina; Breddels, Maarten

2013-09-01

We review our current understanding of the internal dynamical properties of the dwarf spheroidal galaxies surrounding the Milky Way. These are the most dark matter dominated galaxies, and as such may be considered ideal laboratories to test the current concordance cosmological model, and in particular provide constraints on the nature of the dominant form of dark matter. We discuss the latest observations of the kinematics of stars in these systems, and how these may be used to derive their mass distribution. We tour through the various dynamical techniques used, with emphasis on the complementarity and limitations, and discuss what the results imply also in the context of cosmological models. Finally we provide an outlook on exciting developments in this field.

Predictive Model for Jet Engine Test Cell Opacity

DTIC Science & Technology

1981-09-30

precipitators or venturi scrubbers to treat the exhaust emissions. These predictions indicate that control devices larger than the test cells would have...made to see under what conditions electrostatic precipitators or venturi scrubbers might satisfy opacity regu- lations. 3 SECTION I I SMOKE NUMBER j...high energy venturi scrubber . As with the ESP model, this also required an empirical factor (f) to make the model agree approximately with actual data

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

Durham, M.D.

Several tasks have been completed in a program to evaluate additives to improve fine particle collection in electrostatic precipitators. Screening tests and laboratory evaluations of additives are summarized in this report. Over 20 additives were evaluated; four were found to improve flyash precipitation rates. The Insitec particle analyzer was also evaluated; test results show that the analyzer will provide accurate sizing and counting information for particles in the size range of {le} 10 {mu}m dia.

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

Durham, M.D.

Several tasks have been completed in a program to evaluate additives to improve fine particle collection in electrostatic precipitators. Screening tests and laboratory evaluations of additives are summarized in this report. Over 20 additives were evaluated; four were found to improve flyash precipitation rates. The Insitec particle analyzer was also evaluated; test results show that the analyzer will provide accurate sizing and counting information for particles in the size range of [le] 10 [mu]m dia.

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

Bernardin, John D; Baca, Allen G

This paper presents the mechanical design, fabrication and dynamic testing of an electrostatic analyzer spacecraft instrument. The functional and environmental requirements combined with limited spacecraft accommodations, resulted in complex component geometries, unique material selections, and difficult fabrication processes. The challenging aspects of the mechanical design and several of the more difficult production processes are discussed. In addition, the successes, failures, and lessons learned from acoustic and random vibration testing of a full-scale prototype instrument are presented.

Mechanism of Electro-Static Discharge (ESD) Sensitivity of Reactive Powders and Its Mitigation

DTIC Science & Technology

2011-03-14

motivated by both safety requirements for handling flammable gas mixtures and convenience of using spark discharge as a controlled energy igniter for...On the other hand, experimental tests of ESD ignition sensitivity for non-aerosolized powders are among the most commonly used safety assessments...materials, including nanomaterials for a variety of applications. Current protocols used for ESD ignition sensitivity testing, e.g., described in

Electrostatic similarity of proteins: Application of three dimensional spherical harmonic decomposition

PubMed Central

Długosz, Maciej; Trylska, Joanna

2008-01-01

We present a method for describing and comparing global electrostatic properties of biomolecules based on the spherical harmonic decomposition of electrostatic potential data. Unlike other approaches our method does not require any prior three dimensional structural alignment. The electrostatic potential, given as a volumetric data set from a numerical solution of the Poisson or Poisson–Boltzmann equation, is represented with descriptors that are rotation invariant. The method can be applied to large and structurally diverse sets of biomolecules enabling to cluster them according to their electrostatic features. PMID:18624502

Effect of the ordered interfacial water layer in protein complex formation: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander; Sabirianov, Renat

2011-03-01

Using a non-local electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an low-dielectric interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.