Crystal Structure of the Complex Between Programmed Death-1 (PD-1) and its Ligand PD-L2

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

Lazar-Molnar,E.; Yan, Q.; Cao, E.

2008-01-01

Programmed death-1 (PD-1) is a member of the CD28/B7 superfamily that delivers negative signals upon interaction with its two ligands, PD-L1 or PD-L2. The high-resolution crystal structure of the complex formed by the complete ectodomains of murine PD-1 and PD-L2 revealed a 1:1 receptor:ligand stoichiometry and displayed a binding interface and overall molecular organization distinct from that observed in the CTLA-4/B7 inhibitory complexes. Furthermore, our structure also provides insights into the association between PD-1 and PD-L1 and highlights differences in the interfaces formed by the two PD-1 ligands (PD-Ls) Mutagenesis studies confirmed the details of the proposed PD-1/PD-L binding interfacesmore » and allowed for the design of a mutant PD-1 receptor with enhanced affinity. These studies define spatial and organizational constraints that control the localization and signaling of PD-1/PD-L complexes within the immunological synapse and provide a basis for manipulating the PD-1 pathways for immunotherapy.« less

Physiological importance of RNA and protein mobility in the cell nucleus

PubMed Central

2007-01-01

Trafficking of proteins and RNAs is essential for cellular function and homeostasis. While it has long been appreciated that proteins and RNAs move within cells, only recently has it become possible to visualize trafficking events in vivo. Analysis of protein and RNA motion within the cell nucleus have been particularly intriguing as they have revealed an unanticipated degree of dynamics within the organelle. These methods have revealed that the intranuclear trafficking occurs largely by energy-independent mechanisms and is driven by diffusion. RNA molecules and non-DNA binding proteins undergo constrained diffusion, largely limited by the spatial constraint imposed by chromatin, and chromatin binding proteins move by a stop-and-go mechanism where their free diffusion is interrupted by random association with the chromatin fiber. The ability and mode of motion of proteins and RNAs has implications for how they find nuclear targets on chromatin and in nuclear subcompartments and how macromolecular complexes are assembled in vivo. Most importantly, the dynamic nature of proteins and RNAs is emerging as a means to control physiological cellular responses and pathways. PMID:17994245

Clinical assessment of motor function: a processes oriented instrument based on a speed-accuracy trade-off paradigm.

PubMed

Christe, Blaise; Burkhard, Pierre R; Pegna, Alan J; Mayer, Eugene; Hauert, Claude-Alain

2007-01-01

In this study, we developed a digitizing tablet-based instrument for the clinical assessment of human voluntary movements targeting motor processes of planning, programming and execution. The tool was used to investigate an adaptation of Fitts' reciprocal tapping task [10], comprising four conditions, each of them modulated by three indices of difficulty related to the amplitude of movement required. Temporal, spatial and sequential constraints underlying the various conditions allowed the intricate motor processes to be dissociated. Data obtained from a group of elderly healthy subjects (N=50) were in agreement with the literature on motor control, in the temporal and spatial domains. Speed constraints generated gains in the temporal domain and costs in the spatial one, while spatial constraints generated gain in the spatial domain and costs in the temporal one; finally, sequential constraints revealed the integrative nature of the cognitive operations involved in motor production. This versatile instrument proved capable of providing quantitative, accurate and sensitive measures of the various processes sustaining voluntary movement in healthy subjects. Altogether, analyses performed in this study generated a theoretical framework and reference data which could be used in the future for the clinical assessment of patients with various movement disorders, in particular Parkinson's disease.

A robust fuzzy local Information c-means clustering algorithm with noise detection

NASA Astrophysics Data System (ADS)

Shang, Jiayu; Li, Shiren; Huang, Junwei

2018-04-01

Fuzzy c-means clustering (FCM), especially with spatial constraints (FCM_S), is an effective algorithm suitable for image segmentation. Its reliability contributes not only to the presentation of fuzziness for belongingness of every pixel but also to exploitation of spatial contextual information. But these algorithms still remain some problems when processing the image with noise, they are sensitive to the parameters which have to be tuned according to prior knowledge of the noise. In this paper, we propose a new FCM algorithm, combining the gray constraints and spatial constraints, called spatial and gray-level denoised fuzzy c-means (SGDFCM) algorithm. This new algorithm conquers the parameter disadvantages mentioned above by considering the possibility of noise of each pixel, which aims to improve the robustness and obtain more detail information. Furthermore, the possibility of noise can be calculated in advance, which means the algorithm is effective and efficient.

Confined wormlike chains in external fields

NASA Astrophysics Data System (ADS)

Morrison, Greg

The confinement of biomolecules is ubiquitous in nature, such as the spatial constraints of viral encapsulation, histone binding, and chromosomal packing. Advances in microfluidics and nanopore fabrication have permitted powerful new tools in single molecule manipulation and gene sequencing through molecular confinement as well. In order to fully understand and exploit these systems, the ability to predict the structure of spatially confined molecules is essential. In this talk, I describe a mean field approach to determine the properties of stiff polymers confined to cylinders and slits, which is relevant for a variety of biological and experimental conditions. I show that this approach is able to not only reproduce known scaling laws for confined wormlike chains, but also provides an improvement over existing weakly bending rod approximations in determining the detailed chain properties (such as correlation functions). Using this approach, we also show that it is possible to study the effect of an externally applied tension or static electric field in a natural and analytically tractable way. These external perturbations can alter the scaling laws and introduce important new length scales into the system, relevant for histone unbinding and single-molecule analysis of DNA.

Structural constraints on pronoun binding and coreference: evidence from eye movements during reading

PubMed Central

Cunnings, Ian; Patterson, Clare; Felser, Claudia

2015-01-01

A number of recent studies have investigated how syntactic and non-syntactic constraints combine to cue memory retrieval during anaphora resolution. In this paper we investigate how syntactic constraints and gender congruence interact to guide memory retrieval during the resolution of subject pronouns. Subject pronouns are always technically ambiguous, and the application of syntactic constraints on their interpretation depends on properties of the antecedent that is to be retrieved. While pronouns can freely corefer with non-quantified referential antecedents, linking a pronoun to a quantified antecedent is only possible in certain syntactic configurations via variable binding. We report the results from a judgment task and three online reading comprehension experiments investigating pronoun resolution with quantified and non-quantified antecedents. Results from both the judgment task and participants' eye movements during reading indicate that comprehenders freely allow pronouns to corefer with non-quantified antecedents, but that retrieval of quantified antecedents is restricted to specific syntactic environments. We interpret our findings as indicating that syntactic constraints constitute highly weighted cues to memory retrieval during anaphora resolution. PMID:26157400

Structural constraints on pronoun binding and coreference: evidence from eye movements during reading.

PubMed

Cunnings, Ian; Patterson, Clare; Felser, Claudia

2015-01-01

A number of recent studies have investigated how syntactic and non-syntactic constraints combine to cue memory retrieval during anaphora resolution. In this paper we investigate how syntactic constraints and gender congruence interact to guide memory retrieval during the resolution of subject pronouns. Subject pronouns are always technically ambiguous, and the application of syntactic constraints on their interpretation depends on properties of the antecedent that is to be retrieved. While pronouns can freely corefer with non-quantified referential antecedents, linking a pronoun to a quantified antecedent is only possible in certain syntactic configurations via variable binding. We report the results from a judgment task and three online reading comprehension experiments investigating pronoun resolution with quantified and non-quantified antecedents. Results from both the judgment task and participants' eye movements during reading indicate that comprehenders freely allow pronouns to corefer with non-quantified antecedents, but that retrieval of quantified antecedents is restricted to specific syntactic environments. We interpret our findings as indicating that syntactic constraints constitute highly weighted cues to memory retrieval during anaphora resolution.

Crosslinking Constraints and Computational Models as Complementary Tools in Modeling the Extracellular Domain of the Glycine Receptor

PubMed Central

Liu, Zhenyu; Szarecka, Agnieszka; Yonkunas, Michael; Speranskiy, Kirill; Kurnikova, Maria; Cascio, Michael

2014-01-01

The glycine receptor (GlyR), a member of the pentameric ligand-gated ion channel superfamily, is the major inhibitory neurotransmitter-gated receptor in the spinal cord and brainstem. In these receptors, the extracellular domain binds agonists, antagonists and various other modulatory ligands that act allosterically to modulate receptor function. The structures of homologous receptors and binding proteins provide templates for modeling of the ligand-binding domain of GlyR, but limitations in sequence homology and structure resolution impact on modeling studies. The determination of distance constraints via chemical crosslinking studies coupled with mass spectrometry can provide additional structural information to aid in model refinement, however it is critical to be able to distinguish between intra- and inter-subunit constraints. In this report we model the structure of GlyBP, a structural and functional homolog of the extracellular domain of human homomeric α1 GlyR. We then show that intra- and intersubunit Lys-Lys crosslinks in trypsinized samples of purified monomeric and oligomeric protein bands from SDS-polyacrylamide gels may be identified and differentiated by MALDI-TOF MS studies of limited resolution. Thus, broadly available MS platforms are capable of providing distance constraints that may be utilized in characterizing large complexes that may be less amenable to NMR and crystallographic studies. Systematic studies of state-dependent chemical crosslinking and mass spectrometric identification of crosslinked sites has the potential to complement computational modeling efforts by providing constraints that can validate and refine allosteric models. PMID:25025226

A Generalized Radiation Model for Human Mobility: Spatial Scale, Searching Direction and Trip Constraint

PubMed Central

Kang, Chaogui; Liu, Yu; Guo, Diansheng; Qin, Kun

2015-01-01

We generalized the recently introduced “radiation model”, as an analog to the generalization of the classic “gravity model”, to consolidate its nature of universality for modeling diverse mobility systems. By imposing the appropriate scaling exponent λ, normalization factor κ and system constraints including searching direction and trip OD constraint, the generalized radiation model accurately captures real human movements in various scenarios and spatial scales, including two different countries and four different cities. Our analytical results also indicated that the generalized radiation model outperformed alternative mobility models in various empirical analyses. PMID:26600153

A Generalized Radiation Model for Human Mobility: Spatial Scale, Searching Direction and Trip Constraint.

PubMed

Kang, Chaogui; Liu, Yu; Guo, Diansheng; Qin, Kun

2015-01-01

We generalized the recently introduced "radiation model", as an analog to the generalization of the classic "gravity model", to consolidate its nature of universality for modeling diverse mobility systems. By imposing the appropriate scaling exponent λ, normalization factor κ and system constraints including searching direction and trip OD constraint, the generalized radiation model accurately captures real human movements in various scenarios and spatial scales, including two different countries and four different cities. Our analytical results also indicated that the generalized radiation model outperformed alternative mobility models in various empirical analyses.

Binding of Verbal and Spatial Features in Auditory Working Memory

ERIC Educational Resources Information Center

Maybery, Murray T.; Clissa, Peter J.; Parmentier, Fabrice B. R.; Leung, Doris; Harsa, Grefin; Fox, Allison M.; Jones, Dylan M.

2009-01-01

The present study investigated the binding of verbal identity and spatial location in the retention of sequences of spatially distributed acoustic stimuli. Study stimuli varying in verbal content and spatial location (e.g. V[subscript 1]S[subscript 1], V[subscript 2]S[subscript 2], V[subscript 3]S[subscript 3], V[subscript 4]S[subscript 4]) were…

Registration of 4D cardiac CT sequences under trajectory constraints with multichannel diffeomorphic demons.

PubMed

Peyrat, Jean-Marc; Delingette, Hervé; Sermesant, Maxime; Xu, Chenyang; Ayache, Nicholas

2010-07-01

We propose a framework for the nonlinear spatiotemporal registration of 4D time-series of images based on the Diffeomorphic Demons (DD) algorithm. In this framework, the 4D spatiotemporal registration is decoupled into a 4D temporal registration, defined as mapping physiological states, and a 4D spatial registration, defined as mapping trajectories of physical points. Our contribution focuses more specifically on the 4D spatial registration that should be consistent over time as opposed to 3D registration that solely aims at mapping homologous points at a given time-point. First, we estimate in each sequence the motion displacement field, which is a dense representation of the point trajectories we want to register. Then, we perform simultaneously 3D registrations of corresponding time-points with the constraints to map the same physical points over time called the trajectory constraints. Under these constraints, we show that the 4D spatial registration can be formulated as a multichannel registration of 3D images. To solve it, we propose a novel version of the Diffeomorphic Demons (DD) algorithm extended to vector-valued 3D images, the Multichannel Diffeomorphic Demons (MDD). For evaluation, this framework is applied to the registration of 4D cardiac computed tomography (CT) sequences and compared to other standard methods with real patient data and synthetic data simulated from a physiologically realistic electromechanical cardiac model. Results show that the trajectory constraints act as a temporal regularization consistent with motion whereas the multichannel registration acts as a spatial regularization. Finally, using these trajectory constraints with multichannel registration yields the best compromise between registration accuracy, temporal and spatial smoothness, and computation times. A prospective example of application is also presented with the spatiotemporal registration of 4D cardiac CT sequences of the same patient before and after radiofrequency ablation (RFA) in case of atrial fibrillation (AF). The intersequence spatial transformations over a cardiac cycle allow to analyze and quantify the regression of left ventricular hypertrophy and its impact on the cardiac function.

Structural organization of G-protein-coupled receptors

NASA Astrophysics Data System (ADS)

Lomize, Andrei L.; Pogozheva, Irina D.; Mosberg, Henry I.

1999-07-01

Atomic-resolution structures of the transmembrane 7-α-helical domains of 26 G-protein-coupled receptors (GPCRs) (including opsins, cationic amine, melatonin, purine, chemokine, opioid, and glycoprotein hormone receptors and two related proteins, retinochrome and Duffy erythrocyte antigen) were calculated by distance geometry using interhelical hydrogen bonds formed by various proteins from the family and collectively applied as distance constraints, as described previously [Pogozheva et al., Biophys. J., 70 (1997) 1963]. The main structural features of the calculated GPCR models are described and illustrated by examples. Some of the features reflect physical interactions that are responsible for the structural stability of the transmembrane α-bundle: the formation of extensive networks of interhelical H-bonds and sulfur-aromatic clusters that are spatially organized as 'polarity gradients' the close packing of side-chains throughout the transmembrane domain; and the formation of interhelical disulfide bonds in some receptors and a plausible Zn2+ binding center in retinochrome. Other features of the models are related to biological function and evolution of GPCRs: the formation of a common 'minicore' of 43 evolutionarily conserved residues; a multitude of correlated replacements throughout the transmembrane domain; an Na+-binding site in some receptors, and excellent complementarity of receptor binding pockets to many structurally dissimilar, conformationally constrained ligands, such as retinal, cyclic opioid peptides, and cationic amine ligands. The calculated models are in good agreement with numerous experimental data.

Different types of working memory binding in epilepsy patients with unilateral anterior temporal lobectomy.

PubMed

van Geldorp, Bonnie; Bouman, Zita; Hendriks, Marc P H; Kessels, Roy P C

2014-03-01

The medial temporal lobe is an important structure for long-term memory formation, but its role in working memory is less clear. Recent studies have shown hippocampal involvement during working memory tasks requiring binding of information. It is yet unclear whether this is limited to tasks containing spatial features. The present study contrasted three binding conditions and one single-item condition in patients with unilateral anterior temporal lobectomy. A group of 43 patients with temporal lobectomy (23 left; 20 right) and 20 matched controls were examined with a working memory task assessing spatial relational binding (object-location), non-spatial relational binding (object-object), conjunctive binding (object-colour) and working memory for single items. We varied the delay period (3 or 6s), as there is evidence showing that delay length may modulate working memory performance. The results indicate that performance was worse for patients than for controls in both relational binding conditions, whereas patients were unimpaired in conjunctive binding. Single-item memory was found to be marginally impaired, due to a deficit on long-delay trials only. In conclusion, working memory binding deficits are found in patients with unilateral anterior temporal lobectomy. The role of the medial temporal lobe in working memory is not limited to tasks containing spatial features. Rather, it seems to be involved in relational binding, but not in conjunctive binding. The medial temporal lobe gets involved when working memory capacity does not suffice, for example when relations have to be maintained or when the delay period is long. Copyright © 2014 Elsevier Inc. All rights reserved.

An Integer Programming Model for the Management of a Forest in the North of Portugal

NASA Astrophysics Data System (ADS)

Cerveira, Adelaide; Fonseca, Teresa; Mota, Artur; Martins, Isabel

2011-09-01

This study aims to develop an approach for the management of a forest of maritime pine located in the north region of Portugal. The forest is classified into five public lands, the so-called baldios, extending over 4432 ha. These baldios are co-managed by the Official Forest Services and the local communities mainly for timber production purposes. The forest planning involves non-spatial and spatial constraints. Spatial constraints dictate a maximum clearcut area and an exclusion time. An integer programming model is presented and the computational results are discussed.

Scanpath memory binding: multiple read-out experiments

NASA Astrophysics Data System (ADS)

Stark, Lawrence W.; Privitera, Claudio M.; Yang, Huiyang; Azzariti, Michela; Ho, Yeuk F.; Chan, Angie; Krischer, Christof; Weinberger, Adam

1999-05-01

The scanpath theory proposed that an internal spatial- cognitive model controls perception and the active looking eye movements, EMs, of the scanpath sequence. Evidence for this came from new quantitative methods, experiments with ambiguous figures and visual imagery and from MRI studies, all on cooperating human subjects. Besides recording EMs, we introduce other experimental techniques wherein the subject must depend upon memory bindings as in visual imagery, but may call upon other motor behaviors than EMs to read-out the remembered patterns. How is the internal model distributed and operationally assembled. The concept of binding speaks to the assigning of values for the model and its execution in various parts of the brain. Current neurological information helps to localize different aspects of the spatial-cognitive model in the brain. We suppose that there are several levels of 'binding' -- semantic or symbolic binding, structural binding for the spatial locations of the regions-of-interest and sequential binding for the dynamic execution program that yields the sequence of EMs. Our aim is to dissect out respective contributions of these different forms of binding.

Temporal Limitations in the Effective Binding of Attended Target Attributes in the Mutual Masking of Visual Objects

ERIC Educational Resources Information Center

Hommuk, Karita; Bachmann, Talis

2009-01-01

The problem of feature binding has been examined under conditions of distributed attention or with spatially dispersed stimuli. We studied binding by asking whether selective attention to a feature of a masked object enables perceptual access to the other features of that object using conditions in which spatial attention was directed at a single…

Trade-off between Multiple Constraints Enables Simultaneous Formation of Modules and Hubs in Neural Systems

PubMed Central

Chen, Yuhan; Wang, Shengjun; Hilgetag, Claus C.; Zhou, Changsong

2013-01-01

The formation of the complex network architecture of neural systems is subject to multiple structural and functional constraints. Two obvious but apparently contradictory constraints are low wiring cost and high processing efficiency, characterized by short overall wiring length and a small average number of processing steps, respectively. Growing evidence shows that neural networks are results from a trade-off between physical cost and functional value of the topology. However, the relationship between these competing constraints and complex topology is not well understood quantitatively. We explored this relationship systematically by reconstructing two known neural networks, Macaque cortical connectivity and C. elegans neuronal connections, from combinatory optimization of wiring cost and processing efficiency constraints, using a control parameter , and comparing the reconstructed networks to the real networks. We found that in both neural systems, the reconstructed networks derived from the two constraints can reveal some important relations between the spatial layout of nodes and the topological connectivity, and match several properties of the real networks. The reconstructed and real networks had a similar modular organization in a broad range of , resulting from spatial clustering of network nodes. Hubs emerged due to the competition of the two constraints, and their positions were close to, and partly coincided, with the real hubs in a range of values. The degree of nodes was correlated with the density of nodes in their spatial neighborhood in both reconstructed and real networks. Generally, the rebuilt network matched a significant portion of real links, especially short-distant ones. These findings provide clear evidence to support the hypothesis of trade-off between multiple constraints on brain networks. The two constraints of wiring cost and processing efficiency, however, cannot explain all salient features in the real networks. The discrepancy suggests that there are further relevant factors that are not yet captured here. PMID:23505352

Short-term memory for spatial configurations in the tactile modality: a comparison with vision.

PubMed

Picard, Delphine; Monnier, Catherine

2009-11-01

This study investigates the role of acquisition constraints on the short-term retention of spatial configurations in the tactile modality in comparison with vision. It tests whether the sequential processing of information inherent to the tactile modality could account for limitation in short-term memory span for tactual-spatial information. In addition, this study investigates developmental aspects of short-term memory for tactual- and visual-spatial configurations. A total of 144 child and adult participants were assessed for their memory span in three different conditions: tactual, visual, and visual with a limited field of view. The results showed lower tactual-spatial memory span than visual-spatial, regardless of age. However, differences in memory span observed between the tactile and visual modalities vanished when the visual processing of information occurred within a limited field. These results provide evidence for an impact of acquisition constraints on the retention of spatial information in the tactile modality in both childhood and adulthood.

Spatial Analysis and Quantification of the Thermodynamic Driving Forces in Protein-Ligand Binding: Binding Site Variability

PubMed Central

Raman, E. Prabhu; MacKerell, Alexander D.

2015-01-01

The thermodynamic driving forces behind small molecule-protein binding are still not well understood, including the variability of those forces associated with different types of ligands in different binding pockets. To better understand these phenomena we calculate spatially resolved thermodynamic contributions of the different molecular degrees of freedom for the binding of propane and methanol to multiple pockets on the proteins Factor Xa and p38 MAP kinase. Binding thermodynamics are computed using a statistical thermodynamics based end-point method applied on a canonical ensemble comprising the protein-ligand complexes and the corresponding free states in an explicit solvent environment. Energetic and entropic contributions of water and ligand degrees of freedom computed from the configurational ensemble provides an unprecedented level of detail into the mechanisms of binding. Direct protein-ligand interaction energies play a significant role in both non-polar and polar binding, which is comparable to water reorganization energy. Loss of interactions with water upon binding strongly compensates these contributions leading to relatively small binding enthalpies. For both solutes, the entropy of water reorganization is found to favor binding in agreement with the classical view of the “hydrophobic effect”. Depending on the specifics of the binding pocket, both energy-entropy compensation and reinforcement mechanisms are observed. Notable is the ability to visualize the spatial distribution of the thermodynamic contributions to binding at atomic resolution showing significant differences in the thermodynamic contributions of water to the binding of propane versus methanol. PMID:25625202

TRACON Aircraft Arrival Planning and Optimization Through Spatial Constraint Satisfaction

NASA Technical Reports Server (NTRS)

Bergh, Christopher P.; Krzeczowski, Kenneth J.; Davis, Thomas J.; Denery, Dallas G. (Technical Monitor)

1995-01-01

A new aircraft arrival planning and optimization algorithm has been incorporated into the Final Approach Spacing Tool (FAST) in the Center-TRACON Automation System (CTAS) developed at NASA-Ames Research Center. FAST simulations have been conducted over three years involving full-proficiency, level five air traffic controllers from around the United States. From these simulations an algorithm, called Spatial Constraint Satisfaction, has been designed, coded, undergone testing, and soon will begin field evaluation at the Dallas-Fort Worth and Denver International airport facilities. The purpose of this new design is an attempt to show that the generation of efficient and conflict free aircraft arrival plans at the runway does not guarantee an operationally acceptable arrival plan upstream from the runway -information encompassing the entire arrival airspace must be used in order to create an acceptable aircraft arrival plan. This new design includes functions available previously but additionally includes necessary representations of controller preferences and workload, operationally required amounts of extra separation, and integrates aircraft conflict resolution. As a result, the Spatial Constraint Satisfaction algorithm produces an optimized aircraft arrival plan that is more acceptable in terms of arrival procedures and air traffic controller workload. This paper discusses the current Air Traffic Control arrival planning procedures, previous work in this field, the design of the Spatial Constraint Satisfaction algorithm, and the results of recent evaluations of the algorithm.

The Conformations of Confined Polymers in an External Potential

NASA Astrophysics Data System (ADS)

Morrison, Greg

The confinement of biomolecules is ubiquitous in nature, such as the spatial constraints of viral encapsulation, histone binding, and chromosomal packing. Advances in microfluidics and nanopore fabrication have permitted powerful new tools in single molecule manipulation and gene sequencing through molecular confinement as well. In order to fully understand and exploit these systems, the ability to predict the structure of spatially confined molecules is essential. In this talk, I describe a mean field approach to determine the properties of stiff polymers confined to cylinders and slits, which is relevant for a variety of biological and experimental conditions. I show that this approach is able to not only reproduce known scaling laws for confined wormlike chains, but also provides an improvement over existing weakly bending rod approximations in determining the detailed chain properties (such as correlation functions). Using this approach, we also show that it is possible to study the effect of an externally applied tension or static electric field in a natural and analytically tractable way. These external perturbations can alter the scaling laws and introduce important new length scales into the system, relevant for histone unbinding and single-molecule analysis of DNA.

GARN: Sampling RNA 3D Structure Space with Game Theory and Knowledge-Based Scoring Strategies.

PubMed

Boudard, Mélanie; Bernauer, Julie; Barth, Dominique; Cohen, Johanne; Denise, Alain

2015-01-01

Cellular processes involve large numbers of RNA molecules. The functions of these RNA molecules and their binding to molecular machines are highly dependent on their 3D structures. One of the key challenges in RNA structure prediction and modeling is predicting the spatial arrangement of the various structural elements of RNA. As RNA folding is generally hierarchical, methods involving coarse-grained models hold great promise for this purpose. We present here a novel coarse-grained method for sampling, based on game theory and knowledge-based potentials. This strategy, GARN (Game Algorithm for RNa sampling), is often much faster than previously described techniques and generates large sets of solutions closely resembling the native structure. GARN is thus a suitable starting point for the molecular modeling of large RNAs, particularly those with experimental constraints. GARN is available from: http://garn.lri.fr/.

Predicting Fish Growth Potential and Identifying Water Quality Constraints: A Spatially-Explicit Bioenergetics Approach

NASA Astrophysics Data System (ADS)

Budy, Phaedra; Baker, Matthew; Dahle, Samuel K.

2011-10-01

Anthropogenic impairment of water bodies represents a global environmental concern, yet few attempts have successfully linked fish performance to thermal habitat suitability and fewer have distinguished co-varying water quality constraints. We interfaced fish bioenergetics, field measurements, and Thermal Remote Imaging to generate a spatially-explicit, high-resolution surface of fish growth potential, and next employed a structured hypothesis to detect relationships among measures of fish performance and co-varying water quality constraints. Our thermal surface of fish performance captured the amount and spatial-temporal arrangement of thermally-suitable habitat for three focal species in an extremely heterogeneous reservoir, but interpretation of this pattern was initially confounded by seasonal covariation of water residence time and water quality. Subsequent path analysis revealed that in terms of seasonal patterns in growth potential, catfish and walleye responded to temperature, positively and negatively, respectively; crappie and walleye responded to eutrophy (negatively). At the high eutrophy levels observed in this system, some desired fishes appear to suffer from excessive cultural eutrophication within the context of elevated temperatures whereas others appear to be largely unaffected or even enhanced. Our overall findings do not lead to the conclusion that this system is degraded by pollution; however, they do highlight the need to use a sensitive focal species in the process of determining allowable nutrient loading and as integrators of habitat suitability across multiple spatial and temporal scales. We provide an integrated approach useful for quantifying fish growth potential and identifying water quality constraints on fish performance at spatial scales appropriate for whole-system management.

Object-Part Attention Model for Fine-Grained Image Classification

NASA Astrophysics Data System (ADS)

Peng, Yuxin; He, Xiangteng; Zhao, Junjie

2018-03-01

Fine-grained image classification is to recognize hundreds of subcategories belonging to the same basic-level category, such as 200 subcategories belonging to the bird, which is highly challenging due to large variance in the same subcategory and small variance among different subcategories. Existing methods generally first locate the objects or parts and then discriminate which subcategory the image belongs to. However, they mainly have two limitations: (1) Relying on object or part annotations which are heavily labor consuming. (2) Ignoring the spatial relationships between the object and its parts as well as among these parts, both of which are significantly helpful for finding discriminative parts. Therefore, this paper proposes the object-part attention model (OPAM) for weakly supervised fine-grained image classification, and the main novelties are: (1) Object-part attention model integrates two level attentions: object-level attention localizes objects of images, and part-level attention selects discriminative parts of object. Both are jointly employed to learn multi-view and multi-scale features to enhance their mutual promotions. (2) Object-part spatial constraint model combines two spatial constraints: object spatial constraint ensures selected parts highly representative, and part spatial constraint eliminates redundancy and enhances discrimination of selected parts. Both are jointly employed to exploit the subtle and local differences for distinguishing the subcategories. Importantly, neither object nor part annotations are used in our proposed approach, which avoids the heavy labor consumption of labeling. Comparing with more than 10 state-of-the-art methods on 4 widely-used datasets, our OPAM approach achieves the best performance.

Structural and functional properties of spatially embedded scale-free networks.

PubMed

Emmerich, Thorsten; Bunde, Armin; Havlin, Shlomo

2014-06-01

Scale-free networks have been studied mostly as non-spatially embedded systems. However, in many realistic cases, they are spatially embedded and these constraints should be considered. Here, we study the structural and functional properties of a model of scale-free (SF) spatially embedded networks. In our model, both the degree and the length of links follow power law distributions as found in many real networks. We show that not all SF networks can be embedded in space and that the largest degree of a node in the network is usually smaller than in nonembedded SF networks. Moreover, the spatial constraints (each node has only few neighboring nodes) introduce degree-degree anticorrelations (disassortativity) since two high degree nodes cannot stay close in space. We also find significant effects of space embedding on the hopping distances (chemical distance) and the vulnerability of the networks.

Spatial Audio on the Web: Or Why Can't I hear Anything Over There?

NASA Technical Reports Server (NTRS)

Wenzel, Elizabeth M.; Schlickenmaier, Herbert (Technical Monitor); Johnson, Gerald (Technical Monitor); Frey, Mary Anne (Technical Monitor); Schneider, Victor S. (Technical Monitor); Ahunada, Albert J. (Technical Monitor)

1997-01-01

Auditory complexity, freedom of movement and interactivity is not always possible in a "true" virtual environment, much less in web-based audio. However, a lot of the perceptual and engineering constraints (and frustrations) that researchers, engineers and listeners have experienced in virtual audio are relevant to spatial audio on the web. My talk will discuss some of these engineering constraints and their perceptual consequences, and attempt to relate these issues to implementation on the web.

Systematic optimization model and algorithm for binding sequence selection in computational enzyme design

PubMed Central

Huang, Xiaoqiang; Han, Kehang; Zhu, Yushan

2013-01-01

A systematic optimization model for binding sequence selection in computational enzyme design was developed based on the transition state theory of enzyme catalysis and graph-theoretical modeling. The saddle point on the free energy surface of the reaction system was represented by catalytic geometrical constraints, and the binding energy between the active site and transition state was minimized to reduce the activation energy barrier. The resulting hyperscale combinatorial optimization problem was tackled using a novel heuristic global optimization algorithm, which was inspired and tested by the protein core sequence selection problem. The sequence recapitulation tests on native active sites for two enzyme catalyzed hydrolytic reactions were applied to evaluate the predictive power of the design methodology. The results of the calculation show that most of the native binding sites can be successfully identified if the catalytic geometrical constraints and the structural motifs of the substrate are taken into account. Reliably predicting active site sequences may have significant implications for the creation of novel enzymes that are capable of catalyzing targeted chemical reactions. PMID:23649589

Abnormal prefrontal and parietal activity linked to deficient active binding in working memory in schizophrenia.

PubMed

Grot, Stéphanie; Légaré, Virginie Petel; Lipp, Olivier; Soulières, Isabelle; Dolcos, Florin; Luck, David

2017-10-01

Working memory deficits have been widely reported in schizophrenia, and may result from inefficient binding processes. These processes, and their neural correlates, remain understudied in schizophrenia. Thus, we designed an FMRI study aimed at investigating the neural correlates of both passive and active binding in working memory in schizophrenia. Nineteen patients with schizophrenia and 23 matched controls were recruited to perform a working memory binding task, in which they were instructed to memorize three letters and three spatial locations. In the passive binding condition, letters and spatial locations were directly presented as bound. Conversely, in the active binding condition, words and spatial locations were presented as separated, and participants were instructed to intentionally create associations between them. Patients exhibited a similar performance to the controls for the passive binding condition, but a significantly lower performance for the active binding. FMRI analyses revealed that this active binding deficit was related to aberrant activity in the posterior parietal cortex and the ventrolateral prefrontal cortex. This study provides initial evidence of a specific deficit for actively binding information in schizophrenia, which is linked to dysfunctions in the neural networks underlying attention, manipulation of information, and encoding strategies. Together, our results suggest that all these dysfunctions may be targets for neuromodulation interventions known to improve cognitive deficits in schizophrenia. Copyright © 2017 Elsevier B.V. All rights reserved.

The Interaction of Spatial and Object Pathways: Evidence from Balint's Syndrome.

PubMed

Robertson, L; Treisman, A; Friedman-Hill, S; Grabowecky, M

1997-05-01

An earlier report described a patient (RM) with bilateral parietal damage who showed severe binding problems between shape and color and shape and size (Friedman-Hill, Robertson, & Treisman, 1995). When shown two different-colored letters, RM reported a large number of illusory conjunctions (ICs) combining the shape of one letter with the color of the other, even when he was looking directly at one of them and had as long as 10 sec to respond. The lesions also produced severe deficits in locating and reaching for objects, and difficulty in seeing more than one object at a time, resulting in a neuropsychological diagnosis of Balint's syndrome or dorsal simultanagnosia. The pattern of deficits supported predictions of Treisman's Feature Integration Theory (FIT) that the loss of spatial information would lead to binding errors. They further suggested that the spatial information used in binding depends on intact parietal function. In the present paper we extend these findings and examine other deficits in RM that would be predicted by FIT. We show that: (1) Object individuation is impaired, making it impossible for him correctly to count more than one or two objects, even when he is aware that more are present. (2) Visual search for a target defined by a conjunction of features (requiring binding) is impaired, while the detection of a target defined by a unique feature is not. Search for the absence of a feature (0 among Qs) is also severely impaired, while search for the presence (Q among 0s) is not. Feature absence can only be detected when all the present features are bound to the nontarget items. (3) RM's deficits cannot be attributed to a general binding problem: binding errors were far more likely with simultaneous presentation where spatial information was required than with sequential presentation where time could be used as the medium for binding. (4) Selection for attention was severely impaired, whether it was based on the position of a marker or on some other feature (color). (5) Spatial information seems to exist that RM cannot access, suggesting that feature binding relies on a relatively late stage where implicit spatial information is made explicitly accessible. The data converge to support our conclusions that explicit spatial knowledge is necessary for the perception of accurately bound features, for accurate attentional selection, and for accurate and rapid search for a conjunction of features in a multiitem display. It is obviously necessary for directing attention to spatial locations, but the consequences of impairments in this ability seem also to affect object selection, object individuation, and feature integration. Thus, the functional effects of parietal damage are not limited to the spatial and attentional problems that have long been described in patients with Balint's syndrome. Damage to parietal areas also affects object perception through damage to spatial representations that are fundamental for spatial awareness.

Spatial constraints underlying the retinal mosaics of two types of horizontal cells in cat and macaque.

PubMed

Eglen, Stephen J; Wong, James C T

2008-01-01

Most types of retinal neurons are spatially positioned in non-random patterns, termed retinal mosaics. Several developmental mechanisms are thought to be important in the formation of these mosaics. Most evidence to date suggests that homotypic constraints within a type of neuron are dominant, and that heterotypic interactions between different types of neuron are rare. In an analysis of macaque H1 and H2 horizontal cell mosaics, Wässle et al. (2000) suggested that the high regularity index of the combined H1 and H2 mosaic might be caused by heterotypic interactions during development. Here we use computer modeling to suggest that the high regularity index of the combined H1 and H2 mosaic is a by-product of the basic constraint that two neurons cannot occupy the same space. The spatial arrangement of type A and type B horizontal cells in cat retina also follow this same principle.

Properties of a new small-world network with spatially biased random shortcuts

NASA Astrophysics Data System (ADS)

Matsuzawa, Ryo; Tanimoto, Jun; Fukuda, Eriko

2017-11-01

This paper introduces a small-world (SW) network with a power-law distance distribution that differs from conventional models in that it uses completely random shortcuts. By incorporating spatial constraints, we analyze the divergence of the proposed model from conventional models in terms of fundamental network properties such as clustering coefficient, average path length, and degree distribution. We find that when the spatial constraint more strongly prohibits a long shortcut, the clustering coefficient is improved and the average path length increases. We also analyze the spatial prisoner's dilemma (SPD) games played on our new SW network in order to understand its dynamical characteristics. Depending on the basis graph, i.e., whether it is a one-dimensional ring or a two-dimensional lattice, and the parameter controlling the prohibition of long-distance shortcuts, the emergent results can vastly differ.

Pattern-Based Inverse Modeling for Characterization of Subsurface Flow Models with Complex Geologic Heterogeneity

NASA Astrophysics Data System (ADS)

Golmohammadi, A.; Jafarpour, B.; M Khaninezhad, M. R.

2017-12-01

Calibration of heterogeneous subsurface flow models leads to ill-posed nonlinear inverse problems, where too many unknown parameters are estimated from limited response measurements. When the underlying parameters form complex (non-Gaussian) structured spatial connectivity patterns, classical variogram-based geostatistical techniques cannot describe the underlying connectivity patterns. Modern pattern-based geostatistical methods that incorporate higher-order spatial statistics are more suitable for describing such complex spatial patterns. Moreover, when the underlying unknown parameters are discrete (geologic facies distribution), conventional model calibration techniques that are designed for continuous parameters cannot be applied directly. In this paper, we introduce a novel pattern-based model calibration method to reconstruct discrete and spatially complex facies distributions from dynamic flow response data. To reproduce complex connectivity patterns during model calibration, we impose a feasibility constraint to ensure that the solution follows the expected higher-order spatial statistics. For model calibration, we adopt a regularized least-squares formulation, involving data mismatch, pattern connectivity, and feasibility constraint terms. Using an alternating directions optimization algorithm, the regularized objective function is divided into a continuous model calibration problem, followed by mapping the solution onto the feasible set. The feasibility constraint to honor the expected spatial statistics is implemented using a supervised machine learning algorithm. The two steps of the model calibration formulation are repeated until the convergence criterion is met. Several numerical examples are used to evaluate the performance of the developed method.

Enforcement of entailment constraints in distributed service-based business processes.

PubMed

Hummer, Waldemar; Gaubatz, Patrick; Strembeck, Mark; Zdun, Uwe; Dustdar, Schahram

2013-11-01

A distributed business process is executed in a distributed computing environment. The service-oriented architecture (SOA) paradigm is a popular option for the integration of software services and execution of distributed business processes. Entailment constraints, such as mutual exclusion and binding constraints, are important means to control process execution. Mutually exclusive tasks result from the division of powerful rights and responsibilities to prevent fraud and abuse. In contrast, binding constraints define that a subject who performed one task must also perform the corresponding bound task(s). We aim to provide a model-driven approach for the specification and enforcement of task-based entailment constraints in distributed service-based business processes. Based on a generic metamodel, we define a domain-specific language (DSL) that maps the different modeling-level artifacts to the implementation-level. The DSL integrates elements from role-based access control (RBAC) with the tasks that are performed in a business process. Process definitions are annotated using the DSL, and our software platform uses automated model transformations to produce executable WS-BPEL specifications which enforce the entailment constraints. We evaluate the impact of constraint enforcement on runtime performance for five selected service-based processes from existing literature. Our evaluation demonstrates that the approach correctly enforces task-based entailment constraints at runtime. The performance experiments illustrate that the runtime enforcement operates with an overhead that scales well up to the order of several ten thousand logged invocations. Using our DSL annotations, the user-defined process definition remains declarative and clean of security enforcement code. Our approach decouples the concerns of (non-technical) domain experts from technical details of entailment constraint enforcement. The developed framework integrates seamlessly with WS-BPEL and the Web services technology stack. Our prototype implementation shows the feasibility of the approach, and the evaluation points to future work and further performance optimizations.

Influence of Wiring Cost on the Large-Scale Architecture of Human Cortical Connectivity

PubMed Central

Samu, David; Seth, Anil K.; Nowotny, Thomas

2014-01-01

In the past two decades some fundamental properties of cortical connectivity have been discovered: small-world structure, pronounced hierarchical and modular organisation, and strong core and rich-club structures. A common assumption when interpreting results of this kind is that the observed structural properties are present to enable the brain's function. However, the brain is also embedded into the limited space of the skull and its wiring has associated developmental and metabolic costs. These basic physical and economic aspects place separate, often conflicting, constraints on the brain's connectivity, which must be characterized in order to understand the true relationship between brain structure and function. To address this challenge, here we ask which, and to what extent, aspects of the structural organisation of the brain are conserved if we preserve specific spatial and topological properties of the brain but otherwise randomise its connectivity. We perform a comparative analysis of a connectivity map of the cortical connectome both on high- and low-resolutions utilising three different types of surrogate networks: spatially unconstrained (‘random’), connection length preserving (‘spatial’), and connection length optimised (‘reduced’) surrogates. We find that unconstrained randomisation markedly diminishes all investigated architectural properties of cortical connectivity. By contrast, spatial and reduced surrogates largely preserve most properties and, interestingly, often more so in the reduced surrogates. Specifically, our results suggest that the cortical network is less tightly integrated than its spatial constraints would allow, but more strongly segregated than its spatial constraints would necessitate. We additionally find that hierarchical organisation and rich-club structure of the cortical connectivity are largely preserved in spatial and reduced surrogates and hence may be partially attributable to cortical wiring constraints. In contrast, the high modularity and strong s-core of the high-resolution cortical network are significantly stronger than in the surrogates, underlining their potential functional relevance in the brain. PMID:24699277

Untangling Locality and Orientation Constraints in the L2 Acquisition of Anaphoric Binding: A Feature-Based Approach

ERIC Educational Resources Information Center

Dominguez, Laura; Hicks, Glyn; Song, Hee-Jeong

2012-01-01

This study offers a Minimalist analysis of the L2 acquisition of binding properties whereby cross-linguistic differences arise from the interaction of anaphoric feature specifications and operations of the computational system (Reuland 2001, 2011; Hicks 2009). This analysis attributes difficulties in the L2 acquisition of locality and orientation…

Symbolic control of visual attention: semantic constraints on the spatial distribution of attention.

PubMed

Gibson, Bradley S; Scheutz, Matthias; Davis, Gregory J

2009-02-01

Humans routinely use spatial language to control the spatial distribution of attention. In so doing, spatial information may be communicated from one individual to another across opposing frames of reference, which in turn can lead to inconsistent mappings between symbols and directions (or locations). These inconsistencies may have important implications for the symbolic control of attention because they can be translated into differences in cue validity, a manipulation that is known to influence the focus of attention. This differential validity hypothesis was tested in Experiment 1 by comparing spatial word cues that were predicted to have high learned spatial validity ("above/below") and low learned spatial validity ("left/right"). Consistent with this prediction, when two measures of selective attention were used, the results indicated that attention was less focused in response to "left/right" cues than in response to "above/below" cues, even when the actual validity of each of the cues was equal. In addition, Experiment 2 predicted that spatial words such as "left/right" would have lower spatial validity than would other directional symbols that specify direction along the horizontal axis, such as "<--/-->" cues. The results were also consistent with this hypothesis. Altogether, the present findings demonstrate important semantic-based constraints on the spatial distribution of attention.

General constraints on sampling wildlife on FIA plots

USGS Publications Warehouse

Bailey, L.L.; Sauer, J.R.; Nichols, J.D.; Geissler, P.H.; McRoberts, Ronald E.; Reams, Gregory A.; Van Deusen, Paul C.; McWilliams, William H.; Cieszewski, Chris J.

2005-01-01

This paper reviews the constraints to sampling wildlife populations at FIA points. Wildlife sampling programs must have well-defined goals and provide information adequate to meet those goals. Investigators should choose a State variable based on information needs and the spatial sampling scale. We discuss estimation-based methods for three State variables: species richness, abundance, and patch occupancy. All methods incorporate two essential sources of variation: detectability estimation and spatial variation. FIA sampling imposes specific space and time criteria that may need to be adjusted to meet local wildlife objectives.

Integrated Analysis of Airport Capacity and Environmental Constraints

NASA Technical Reports Server (NTRS)

Hasan, Shahab; Long, Dou; Hart, George; Eckhause, Jeremy; Hemm, Robert; Busick, Andrew; Graham, Michael; Thompson, Terry; Murphy, Charles; Poage, James

2010-01-01

LMI conducted an integrated analysis of airport capacity and environmental constraints. identifying and ranking the key factors limiting achievement of NextGen capacity goals. The primary metric used was projected throughput, which was estimated for the years 2015 and 2025 based on the unconstrained demand forecast from the Federal Aviation Administration, and planned improvements including those proposed in the NextGen plan. A set of 310 critical airports was identified.. collectively accounting for more than 99 percent of domestic air traffic volume; a one-off analytical approach was used to isolate the constraint being assessed. The study considered three capacity constraints (runway.. taxiway, and gate) and three environmental constraints (fuel, NO(x) emissions, and noise). For the ten busiest airports, runway and noise are the primary and secondary constraints in both 2015 and 2025. For the OEP 35 airports and overall for the remaining airports, the most binding constraint is noise. Six of the 10 busiest airports, will face runway constraints in 2025, and 95 will face gate constraints. Nearly every airport will be subject to constraints due to emissions and NOx. Runway and taxi constraints are more concentrated in the large airports: environmental constraints are present at almost every airport regardless of size.

Three-dimensional stochastic model of actin–myosin binding in the sarcomere lattice

PubMed Central

Kayser-Herold, Oliver; Stojanovic, Boban; Nedic, Djordje; Irving, Thomas C.; Geeves, Michael A.

2016-01-01

The effect of molecule tethering in three-dimensional (3-D) space on bimolecular binding kinetics is rarely addressed and only occasionally incorporated into models of cell motility. The simplest system that can quantitatively determine this effect is the 3-D sarcomere lattice of the striated muscle, where tethered myosin in thick filaments can only bind to a relatively small number of available sites on the actin filament, positioned within a limited range of thermal movement of the myosin head. Here we implement spatially explicit actomyosin interactions into the multiscale Monte Carlo platform MUSICO, specifically defining how geometrical constraints on tethered myosins can modulate state transition rates in the actomyosin cycle. The simulations provide the distribution of myosin bound to sites on actin, ensure conservation of the number of interacting myosins and actin monomers, and most importantly, the departure in behavior of tethered myosin molecules from unconstrained myosin interactions with actin. In addition, MUSICO determines the number of cross-bridges in each actomyosin cycle state, the force and number of attached cross-bridges per myosin filament, the range of cross-bridge forces and accounts for energy consumption. At the macroscopic scale, MUSICO simulations show large differences in predicted force-velocity curves and in the response during early force recovery phase after a step change in length comparing to the two simplest mass action kinetic models. The origin of these differences is rooted in the different fluxes of myosin binding and corresponding instantaneous cross-bridge distributions and quantitatively reflects a major flaw of the mathematical description in all mass action kinetic models. Consequently, this new approach shows that accurate recapitulation of experimental data requires significantly different binding rates, number of actomyosin states, and cross-bridge elasticity than typically used in mass action kinetic models to correctly describe the biochemical reactions of tethered molecules and their interaction energetics. PMID:27864330

Three-dimensional stochastic model of actin–myosin binding in the sarcomere lattice

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

Mijailovich, Srboljub M.; Kayser-Herold, Oliver; Stojanovic, Boban

2016-11-18

The effect of molecule tethering in three-dimensional (3-D) space on bimolecular binding kinetics is rarely addressed and only occasionally incorporated into models of cell motility. The simplest system that can quantitatively determine this effect is the 3-D sarcomere lattice of the striated muscle, where tethered myosin in thick filaments can only bind to a relatively small number of available sites on the actin filament, positioned within a limited range of thermal movement of the myosin head. Here we implement spatially explicit actomyosin interactions into the multiscale Monte Carlo platform MUSICO, specifically defining how geometrical constraints on tethered myosins can modulatemore » state transition rates in the actomyosin cycle. The simulations provide the distribution of myosin bound to sites on actin, ensure conservation of the number of interacting myosins and actin monomers, and most importantly, the departure in behavior of tethered myosin molecules from unconstrained myosin interactions with actin. In addition, MUSICO determines the number of cross-bridges in each actomyosin cycle state, the force and number of attached cross-bridges per myosin filament, the range of cross-bridge forces and accounts for energy consumption. At the macroscopic scale, MUSICO simulations show large differences in predicted force-velocity curves and in the response during early force recovery phase after a step change in length comparing to the two simplest mass action kinetic models. The origin of these differences is rooted in the different fluxes of myosin binding and corresponding instantaneous cross-bridge distributions and quantitatively reflects a major flaw of the mathematical description in all mass action kinetic models. Consequently, this new approach shows that accurate recapitulation of experimental data requires significantly different binding rates, number of actomyosin states, and cross-bridge elasticity than typically used in mass action kinetic models to correctly describe the biochemical reactions of tethered molecules and their interaction energetics.« less

Methods, compositions and kits for imaging cells and tissues using nanoparticles and spatial frequency heterodyne imaging

DOEpatents

Rose-Petruck, Christoph; Wands, Jack R.; Rand, Danielle; Derdak, Zoltan; Ortiz, Vivian

2016-04-19

Methods, compositions, systems, devices and kits are provided herein for preparing and using a nanoparticle composition and spatial frequency heterodyne imaging for visualizing cells or tissues. In various embodiments, the nanoparticle composition includes at least one of: a nanoparticle, a polymer layer, and a binding agent, such that the polymer layer coats the nanoparticle and is for example a polyethylene glycol, a polyelectrolyte, an anionic polymer, or a cationic polymer, and such that the binding agent that specifically binds the cells or the tissue. Methods, compositions, systems, devices and kits are provided for identifying potential therapeutic agents in a model using the nanoparticle composition and spatial frequency heterodyne imaging.

Optimal synchronization in space

NASA Astrophysics Data System (ADS)

Brede, Markus

2010-02-01

In this Rapid Communication we investigate spatially constrained networks that realize optimal synchronization properties. After arguing that spatial constraints can be imposed by limiting the amount of “wire” available to connect nodes distributed in space, we use numerical optimization methods to construct networks that realize different trade offs between optimal synchronization and spatial constraints. Over a large range of parameters such optimal networks are found to have a link length distribution characterized by power-law tails P(l)∝l-α , with exponents α increasing as the networks become more constrained in space. It is also shown that the optimal networks, which constitute a particular type of small world network, are characterized by the presence of nodes of distinctly larger than average degree around which long-distance links are centered.

An Optimization Model for Scheduling Problems with Two-Dimensional Spatial Resource Constraint

NASA Technical Reports Server (NTRS)

Garcia, Christopher; Rabadi, Ghaith

2010-01-01

Traditional scheduling problems involve determining temporal assignments for a set of jobs in order to optimize some objective. Some scheduling problems also require the use of limited resources, which adds another dimension of complexity. In this paper we introduce a spatial resource-constrained scheduling problem that can arise in assembly, warehousing, cross-docking, inventory management, and other areas of logistics and supply chain management. This scheduling problem involves a twodimensional rectangular area as a limited resource. Each job, in addition to having temporal requirements, has a width and a height and utilizes a certain amount of space inside the area. We propose an optimization model for scheduling the jobs while respecting all temporal and spatial constraints.

TARA: Tool Assisted Requirements Analysis

DTIC Science & Technology

1988-05-01

provided during the project and to aid tool integration . Chapter 6 provides a brief discussion of the experience of specifying the ASET case study in CORE...set of Prolog clauses. This includes the context-free grammar rules depicted in Figure 2.1, integrity constraints such as those defining the binding...Jeremaes (1986). This was developed originally for specifying database management ". semantics (for example, the preservation of integrity constraints

Spatial Context and Visual Perception for Action

ERIC Educational Resources Information Center

Coello, Yann

2005-01-01

In this paper, evidences that visuo-spatial perception in the peri-personal space is not an abstract, disembodied phenomenon but is rather shaped by action constraints are reviewed. Locating a visual target with the intention of reaching it requires that the relevant spatial information is considered in relation with the body-part that will be…

Spatial optimization of prairie dog colonies for black-footed ferret recovery

Treesearch

Michael Bevers; John G. Hof; Daniel W. Uresk; Gregory L. Schenbeck

1997-01-01

A discrete-time reaction-diffusion model for black-footed ferret release, population growth, and dispersal is combined with ferret carrying capacity constraints based on prairie dog population management decisions to form a spatial optimization model. Spatial arrangement of active prairie dog colonies within a ferret reintroduction area is optimized over time for...

SPARQL Query Re-writing Using Partonomy Based Transformation Rules

NASA Astrophysics Data System (ADS)

Jain, Prateek; Yeh, Peter Z.; Verma, Kunal; Henson, Cory A.; Sheth, Amit P.

Often the information present in a spatial knowledge base is represented at a different level of granularity and abstraction than the query constraints. For querying ontology's containing spatial information, the precise relationships between spatial entities has to be specified in the basic graph pattern of SPARQL query which can result in long and complex queries. We present a novel approach to help users intuitively write SPARQL queries to query spatial data, rather than relying on knowledge of the ontology structure. Our framework re-writes queries, using transformation rules to exploit part-whole relations between geographical entities to address the mismatches between query constraints and knowledge base. Our experiments were performed on completely third party datasets and queries. Evaluations were performed on Geonames dataset using questions from National Geographic Bee serialized into SPARQL and British Administrative Geography Ontology using questions from a popular trivia website. These experiments demonstrate high precision in retrieval of results and ease in writing queries.

Cognitive and neuropsychological underpinnings of relational and conjunctive working memory binding across age.

PubMed

van Geldorp, Bonnie; Parra, Mario A; Kessels, Roy P C

2015-01-01

The ability to form associations (i.e., binding) is critical for memory formation. Recent studies suggest that aging specifically affects relational binding (associating separate features) but not conjunctive binding (integrating features within an object). Possibly, this dissociation may be driven by the spatial nature of the studies so far. Alternatively, relational binding may simply require more attentional resources. We assessed relational and conjunctive binding in three age groups and we included an interfering task (i.e., an articulatory suppression task). Binding was examined in a working memory (WM) task using non-spatial features: shape and colour. Thirty-one young adults (mean age = 22.35), 30 middle-aged adults (mean age = 54.80) and 30 older adults (mean age = 70.27) performed the task. Results show an effect of type of binding and an effect of age but no interaction between type of binding and age. The interaction between type of binding and interference was significant. These results indicate that aging affects relational binding and conjunctive binding similarly. However, relational binding is more susceptible to interference than conjunctive binding, which suggests that relational binding may require more attentional resources. We suggest that a general decline in WM resources associated with frontal dysfunction underlies age-related deficits in WM binding.

High Data Rate Satellite Communications for Environmental Remote Sensing

NASA Astrophysics Data System (ADS)

Jackson, J. M.; Munger, J.; Emch, P. G.; Sen, B.; Gu, D.

2014-12-01

Satellite to ground communication bandwidth limitations place constraints on current earth remote sensing instruments which limit the spatial and spectral resolution of data transmitted to the ground for processing. Instruments such as VIIRS, CrIS and OMPS on the Soumi-NPP spacecraft must aggregate data both spatially and spectrally in order to fit inside current data rate constraints limiting the optimal use of the as-built sensors. Future planned missions such as HyspIRI, SLI, PACE, and NISAR will have to trade spatial and spectral resolution if increased communication band width is not made available. A number of high-impact, environmental remote sensing disciplines such as hurricane observation, mega-city air quality, wild fire detection and monitoring, and monitoring of coastal oceans would benefit dramatically from enabling the downlinking of sensor data at higher spatial and spectral resolutions. The enabling technologies of multi-Gbps Ka-Band communication, flexible high speed on-board processing, and multi-Terabit SSRs are currently available with high technological maturity enabling high data volume mission requirements to be met with minimal mission constraints while utilizing a limited set of ground sites from NASA's Near Earth Network (NEN) or TDRSS. These enabling technologies will be described in detail with emphasis on benefits to future remote sensing missions currently under consideration by government agencies.

Curvature constraints from large scale structure

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

Dio, Enea Di; Montanari, Francesco; Raccanelli, Alvise

We modified the CLASS code in order to include relativistic galaxy number counts in spatially curved geometries; we present the formalism and study the effect of relativistic corrections on spatial curvature. The new version of the code is now publicly available. Using a Fisher matrix analysis, we investigate how measurements of the spatial curvature parameter Ω {sub K} with future galaxy surveys are affected by relativistic effects, which influence observations of the large scale galaxy distribution. These effects include contributions from cosmic magnification, Doppler terms and terms involving the gravitational potential. As an application, we consider angle and redshift dependentmore » power spectra, which are especially well suited for model independent cosmological constraints. We compute our results for a representative deep, wide and spectroscopic survey, and our results show the impact of relativistic corrections on spatial curvature parameter estimation. We show that constraints on the curvature parameter may be strongly biased if, in particular, cosmic magnification is not included in the analysis. Other relativistic effects turn out to be subdominant in the studied configuration. We analyze how the shift in the estimated best-fit value for the curvature and other cosmological parameters depends on the magnification bias parameter, and find that significant biases are to be expected if this term is not properly considered in the analysis.« less

On the structure of solar and stellar coronae - Loops and loop heat transport

NASA Technical Reports Server (NTRS)

Litwin, Christof; Rosner, Robert

1993-01-01

We discuss the principal constraints on mechanisms for structuring and heating the outer atmospheres - the coronae - of stars. We argue that the essential cause of highly localized heating in the coronae of stars like the sun is the spatially intermittent nature of stellar surface magnetic fields, and that the spatial scale of the resulting coronal structures is related to the spatial structure of the photospheric fields. We show that significant constraints on coronal heating mechanisms derive from the observed variations in coronal emission, and, in addition, show that the observed structuring perpendicular to coronal magnetic fields imposes severe constraints on mechanisms for heat dispersal in the low-beta atmosphere. In particular, we find that most of commonly considered mechanisms for heat dispersal, such as anomalous diffusion due to plasma turbulence or magnetic field line stochasticity, are much too slow to account for the observed rapid heating of coronal loops. The most plausible mechanism appears to be reconnection at the interface between two adjacent coronal flux bundles. Based on a model invoking hyperresistivity, we show that such a mechanism naturally leads to dominance of isolated single bright coronal loops and to bright coronal plasma structures whose spatial scale transverse to the local magnetic field is comparable to observed dimensions of coronal X-ray loops.

Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock Theory.

PubMed

Nascimento, Daniel R; DePrince, A Eugene

2018-05-08

The Hartree-Fock problem was recently recast as a semidefinite optimization over the space of rank-constrained two-body reduced-density matrices (RDMs) [ Phys. Rev. A 2014 , 89 , 010502(R) ]. This formulation of the problem transfers the nonconvexity of the Hartree-Fock energy functional to the rank constraint on the two-body RDM. We consider an equivalent optimization over the space of positive semidefinite one-electron RDMs (1-RDMs) that retains the nonconvexity of the Hartree-Fock energy expression. The optimized 1-RDM satisfies ensemble N-representability conditions, and ensemble spin-state conditions may be imposed as well. The spin-state conditions place additional linear and nonlinear constraints on the 1-RDM. We apply this RDM-based approach to several molecular systems and explore its spatial (point group) and spin ( Ŝ 2 and Ŝ 3 ) symmetry breaking properties. When imposing Ŝ 2 and Ŝ 3 symmetry but relaxing point group symmetry, the procedure often locates spatial-symmetry-broken solutions that are difficult to identify using standard algorithms. For example, the RDM-based approach yields a smooth, spatial-symmetry-broken potential energy curve for the well-known Be-H 2 insertion pathway. We also demonstrate numerically that, upon relaxation of Ŝ 2 and Ŝ 3 symmetry constraints, the RDM-based approach is equivalent to real-valued generalized Hartree-Fock theory.

Treefrogs as Animal Models for Research on Auditory Scene Analysis and the Cocktail Party Problem

PubMed Central

Bee, Mark A.

2014-01-01

The perceptual analysis of acoustic scenes involves binding together sounds from the same source and separating them from other sounds in the environment. In large social groups, listeners experience increased difficulty performing these tasks due to high noise levels and interference from the concurrent signals of multiple individuals. While a substantial body of literature on these issues pertains to human hearing and speech communication, few studies have investigated how nonhuman animals may be evolutionarily adapted to solve biologically analogous communication problems. Here, I review recent and ongoing work aimed at testing hypotheses about perceptual mechanisms that enable treefrogs in the genus Hyla to communicate vocally in noisy, multi-source social environments. After briefly introducing the genus and the methods used to study hearing in frogs, I outline several functional constraints on communication posed by the acoustic environment of breeding “choruses”. Then, I review studies of sound source perception aimed at uncovering how treefrog listeners may be adapted to cope with these constraints. Specifically, this review covers research on the acoustic cues used in sequential and simultaneous auditory grouping, spatial release from masking, and dip listening. Throughout the paper, I attempt to illustrate how broad-scale, comparative studies of carefully considered animal models may ultimately reveal an evolutionary diversity of underlying mechanisms for solving cocktail-party-like problems in communication. PMID:24424243

Cosmic time and reduced phase space of general relativity

NASA Astrophysics Data System (ADS)

Ita, Eyo Eyo; Soo, Chopin; Yu, Hoi-Lai

2018-05-01

In an ever-expanding spatially closed universe, the fractional change of the volume is the preeminent intrinsic time interval to describe evolution in general relativity. The expansion of the universe serves as a subsidiary condition which transforms Einstein's theory from a first class to a second class constrained system when the physical degrees of freedom (d.o.f.) are identified with transverse traceless excitations. The super-Hamiltonian constraint is solved by eliminating the trace of the momentum in terms of the other variables, and spatial diffeomorphism symmetry is tackled explicitly by imposing transversality. The theorems of Maskawa-Nishijima appositely relate the reduced phase space to the physical variables in canonical functional integral and Dirac's criterion for second class constraints to nonvanishing Faddeev-Popov determinants in the phase space measures. A reduced physical Hamiltonian for intrinsic time evolution of the two physical d.o.f. emerges. Freed from the first class Dirac algebra, deformation of the Hamiltonian constraint is permitted, and natural extension of the Hamiltonian while maintaining spatial diffeomorphism invariance leads to a theory with Cotton-York term as the ultraviolet completion of Einstein's theory.

The biological basis of a universal constraint on color naming: cone contrasts and the two-way categorization of colors.

PubMed

Xiao, Youping; Kavanau, Christopher; Bertin, Lauren; Kaplan, Ehud

2011-01-01

Many studies have provided evidence for the existence of universal constraints on color categorization or naming in various languages, but the biological basis of these constraints is unknown. A recent study of the pattern of color categorization across numerous languages has suggested that these patterns tend to avoid straddling a region in color space at or near the border between the English composite categories of "warm" and "cool". This fault line in color space represents a fundamental constraint on color naming. Here we report that the two-way categorization along the fault line is correlated with the sign of the L- versus M-cone contrast of a stimulus color. Moreover, we found that the sign of the L-M cone contrast also accounted for the two-way clustering of the spatially distributed neural responses in small regions of the macaque primary visual cortex, visualized with optical imaging. These small regions correspond to the hue maps, where our previous study found a spatially organized representation of stimulus hue. Altogether, these results establish a direct link between a universal constraint on color naming and the cone-specific information that is represented in the primate early visual system.

Perception of Social Interactions for Spatially Scrambled Biological Motion

PubMed Central

Thurman, Steven M.; Lu, Hongjing

2014-01-01

It is vitally important for humans to detect living creatures in the environment and to analyze their behavior to facilitate action understanding and high-level social inference. The current study employed naturalistic point-light animations to examine the ability of human observers to spontaneously identify and discriminate socially interactive behaviors between two human agents. Specifically, we investigated the importance of global body form, intrinsic joint movements, extrinsic whole-body movements, and critically, the congruency between intrinsic and extrinsic motions. Motion congruency is hypothesized to be particularly important because of the constraint it imposes on naturalistic action due to the inherent causal relationship between limb movements and whole body motion. Using a free response paradigm in Experiment 1, we discovered that many naïve observers (55%) spontaneously attributed animate and/or social traits to spatially-scrambled displays of interpersonal interaction. Total stimulus motion energy was strongly correlated with the likelihood that an observer would attribute animate/social traits, as opposed to physical/mechanical traits, to the scrambled dot stimuli. In Experiment 2, we found that participants could identify interactions between spatially-scrambled displays of human dance as long as congruency was maintained between intrinsic/extrinsic movements. Violating the motion congruency constraint resulted in chance discrimination performance for the spatially-scrambled displays. Finally, Experiment 3 showed that scrambled point-light dancing animations violating this constraint were also rated as significantly less interactive than animations with congruent intrinsic/extrinsic motion. These results demonstrate the importance of intrinsic/extrinsic motion congruency for biological motion analysis, and support a theoretical framework in which early visual filters help to detect animate agents in the environment based on several fundamental constraints. Only after satisfying these basic constraints could stimuli be evaluated for high-level social content. In this way, we posit that perceptual animacy may serve as a gateway to higher-level processes that support action understanding and social inference. PMID:25406075

Spatial, socio-economic, and ecological implications of incorporating minimum size constraints in marine protected area network design.

PubMed

Metcalfe, Kristian; Vaughan, Gregory; Vaz, Sandrine; Smith, Robert J

2015-12-01

Marine protected areas (MPAs) are the cornerstone of most marine conservation strategies, but the effectiveness of each one partly depends on its size and distance to other MPAs in a network. Despite this, current recommendations on ideal MPA size and spacing vary widely, and data are lacking on how these constraints might influence the overall spatial characteristics, socio-economic impacts, and connectivity of the resultant MPA networks. To address this problem, we tested the impact of applying different MPA size constraints in English waters. We used the Marxan spatial prioritization software to identify a network of MPAs that met conservation feature targets, whilst minimizing impacts on fisheries; modified the Marxan outputs with the MinPatch software to ensure each MPA met a minimum size; and used existing data on the dispersal distances of a range of species found in English waters to investigate the likely impacts of such spatial constraints on the region's biodiversity. Increasing MPA size had little effect on total network area or the location of priority areas, but as MPA size increased, fishing opportunity cost to stakeholders increased. In addition, as MPA size increased, the number of closely connected sets of MPAs in networks and the average distance between neighboring MPAs decreased, which consequently increased the proportion of the planning region that was isolated from all MPAs. These results suggest networks containing large MPAs would be more viable for the majority of the region's species that have small dispersal distances, but dispersal between MPA sets and spill-over of individuals into unprotected areas would be reduced. These findings highlight the importance of testing the impact of applying different MPA size constraints because there are clear trade-offs that result from the interaction of size, number, and distribution of MPAs in a network. © 2015 Society for Conservation Biology.

Regional Responses to Constrained Water Availability

NASA Astrophysics Data System (ADS)

Cui, Y.; Calvin, K. V.; Hejazi, M. I.; Clarke, L.; Kim, S. H.; Patel, P.

2017-12-01

There have been many concerns about water as a constraint to agricultural production, electricity generation, and many other human activities in the coming decades. Nevertheless, how different countries/economies would respond to such constraints has not been explored. Here, we examine the responding mechanism of binding water availability constraints at the water basin level and across a wide range of socioeconomic, climate and energy technology scenarios. Specifically, we look at the change in water withdrawals between energy, land-use and other sectors within an integrated framework, by using the Global Change Assessment Model (GCAM) that also endogenizes water use and allocation decisions based on costs. We find that, when water is taken into account as part of the production decision-making, countries/basins in general fall into three different categories, depending on the change of water withdrawals and water re-allocation between sectors. First, water is not a constraining factor for most of the basins. Second, advancements in water-saving technologies of the electricity generation cooling systems are sufficient of reducing water withdrawals to meet binding water availability constraints, such as in China and the EU-15. Third, water-saving in the electricity sector alone is not sufficient and thus cannot make up the lowered water availability from the binding case; for example, many basins in Pakistan, Middle East and India have to largely reduce irrigated water withdrawals by either switching to rain-fed agriculture or reducing production. The dominant responding strategy for individual countries/basins is quite robust across the range of alternate scenarios that we test. The relative size of water withdrawals between energy and agriculture sectors is one of the most important factors that affect the dominant mechanism.

Biochip-based instruments development for space exploration: influence of the antibody immobilization process on the biochip resistance to freeze-drying, temperature shifts and cosmic radiations

NASA Astrophysics Data System (ADS)

Coussot, G.; Moreau, T.; Faye, C.; Vigier, F.; Baqué, M.; Le Postollec, A.; Incerti, S.; Dobrijevic, M.; Vandenabeele-Trambouze, O.

2017-04-01

Due to the diversity of antibody (Ab)-based biochips chemistries available and the little knowledge about biochips resistance to space constraints, immobilization of Abs on the surface of the biochips dedicated to Solar System exploration is challenging. In the present paper, we have developed ten different biochip models including covalent or affinity immobilization with full-length Abs or Ab fragments. Ab immobilizations were carried out in oriented/non-oriented manner using commercial activated surfaces with N-hydroxysuccinic ester (NHS-surfaces) or homemade surfaces using three generations of dendrimers (dendrigraft of poly L-lysine (DGL) surfaces). The performances of the Ab -based surfaces were cross-compared on the following criteria: (i) analytical performances (expressed by both the surface density of immobilized Abs and the amount of antigens initially captured by the surface) and (ii) resistance of surfaces to preparation procedure (freeze-drying, storage) or spatial constraints (irradiation and temperature shifts) encountered during a space mission. The latter results have been expressed as percentage of surface binding capacity losses (or percentage of remaining active Abs). The highest amount of captured antigen was achieved with Ab surfaces having full-length Abs and DGL-surfaces that have much higher surface densities than commercial NHS-surface. After freeze-drying process, thermal shift and storage sample exposition, we found that more than 80% of surface binding sites remained active in this case. In addition, the resistance of Ab surfaces to irradiation with particles such as electron, carbon ions or protons depends not only on the chemistries (covalent/affinity linkages) and strategies (oriented/non-oriented) used to construct the biochip, but also on the type, energy and fluence of incident particles. Our results clearly indicate that full-length Ab immobilization on NHS-surfaces and DGL-surfaces should be preferred for potential use in instruments for planetary exploration.

Trivial constraints on orbital-free kinetic energy density functionals

NASA Astrophysics Data System (ADS)

Luo, Kai; Trickey, S. B.

2018-03-01

Approximate kinetic energy density functionals (KEDFs) are central to orbital-free density functional theory. Limitations on the spatial derivative dependencies of KEDFs have been claimed from differential virial theorems. We identify a central defect in the argument: the relationships are not true for an arbitrary density but hold only for the minimizing density and corresponding chemical potential. Contrary to the claims therefore, the relationships are not constraints and provide no independent information about the spatial derivative dependencies of approximate KEDFs. A simple argument also shows that validity for arbitrary v-representable densities is not restored by appeal to the density-potential bijection.

Genetically Encoded Chemical Probes In Cells Reveal the Binding Path of Urocortin-I to CRF Class B GPCR

PubMed Central

Coin, Irene; Katritch, Vsevolod; Sun, Tingting; Xiang, Zheng; Siu, Fai Yiu; Beyermann, Michael; Stevens, Raymond C.; Wang, Lei

2014-01-01

SUMMARY Molecular determinants regulating the activation of class B G-protein coupled receptors (GPCRs) by native peptide agonists are largely unknown. We have investigated here the interaction between the corticotropin releasing factor receptor type 1 (CRF1R) and its native 40-mer peptide ligand Urocortin-I directly in mammalian cells. By incorporating unnatural amino acid photo-chemical and new click-chemical probes into the receptor, 44 inter-molecular spatial constraints have been derived for the ligand-receptor interaction. The data were analyzed in the context of the recently resolved crystal structure of CRF1R transmembrane domain and existing extracellular domain structures, yielding a complete conformational model for the peptide-receptor complex. Structural features of the receptor-ligand complex yield molecular insights on the mechanism of receptor activation. The experimental strategy provides unique information on full-length post-translationally modified GPCRs in the native membrane of the live cell, complementing in vitro biophysical reductionist approaches. PMID:24290358

Biophysical Constraints Arising from Compositional Context in Synthetic Gene Networks.

PubMed

Yeung, Enoch; Dy, Aaron J; Martin, Kyle B; Ng, Andrew H; Del Vecchio, Domitilla; Beck, James L; Collins, James J; Murray, Richard M

2017-07-26

Synthetic gene expression is highly sensitive to intragenic compositional context (promoter structure, spacing regions between promoter and coding sequences, and ribosome binding sites). However, much less is known about the effects of intergenic compositional context (spatial arrangement and orientation of entire genes on DNA) on expression levels in synthetic gene networks. We compare expression of induced genes arranged in convergent, divergent, or tandem orientations. Induction of convergent genes yielded up to 400% higher expression, greater ultrasensitivity, and dynamic range than divergent- or tandem-oriented genes. Orientation affects gene expression whether one or both genes are induced. We postulate that transcriptional interference in divergent and tandem genes, mediated by supercoiling, can explain differences in expression and validate this hypothesis through modeling and in vitro supercoiling relaxation experiments. Treatment with gyrase abrogated intergenic context effects, bringing expression levels within 30% of each other. We rebuilt the toggle switch with convergent genes, taking advantage of supercoiling effects to improve threshold detection and switch stability. Copyright © 2017 Elsevier Inc. All rights reserved.

Contingency blindness: location-identity binding mismatches obscure awareness of spatial contingencies and produce profound interference in visual working memory.

PubMed

Fiacconi, Chris M; Milliken, Bruce

2012-08-01

The purpose of the present study was to highlight the role of location-identity binding mismatches in obscuring explicit awareness of a strong contingency. In a spatial-priming procedure, we introduced a high likelihood of location-repeat trials. Experiments 1, 2a, and 2b demonstrated that participants' explicit awareness of this contingency was heavily influenced by the local match in location-identity bindings. In Experiment 3, we sought to determine why location-identity binding mismatches produce such low levels of contingency awareness. Our results suggest that binding mismatches can interfere substantially with visual-memory performance. We attribute the low levels of contingency awareness to participants' inability to remember the critical location-identity binding in the prime on a trial-to-trial basis. These results imply a close interplay between object files and visual working memory.

Structural constraints-based evaluation of immunogenic avirulent toxins from Clostridium botulinum C2 and C3 toxins as subunit vaccines.

PubMed

Prisilla, A; Prathiviraj, R; Sasikala, R; Chellapandi, P

2016-10-01

Clostridium botulinum (group-III) is an anaerobic bacterium producing C2 and C3 toxins in addition to botulinum neurotoxins in avian and mammalian cells. C2 and C3 toxins are members of bacterial ADP-ribosyltransferase superfamily, which modify the eukaryotic cell surface proteins by ADP-ribosylation reaction. Herein, the mutant proteins with lack of catalytic and pore forming function derived from C2 (C2I and C2II) and C3 toxins were computationally evaluated to understand their structure-function integrity. We have chosen many structural constraints including local structural environment, folding process, backbone conformation, conformational dynamic sub-space, NAD-binding specificity and antigenic determinants for screening of suitable avirulent toxins. A total of 20 avirulent mutants were identified out of 23 mutants, which were experimentally produced by site-directed mutagenesis. No changes in secondary structural elements in particular to α-helices and β-sheets and also in fold rate of all-β classes. Structural stability was maintained by reordered hydrophobic and hydrogen bonding patterns. Molecular dynamic studies suggested that coupled mutations may restrain the binding affinity to NAD(+) or protein substrate upon structural destabilization. Avirulent toxins of this study have stable energetic backbone conformation with a common blue print of folding process. Molecular docking studies revealed that avirulent mutants formed more favorable hydrogen bonding with the side-chain of amino acids near to conserved NAD-binding core, despite of restraining NAD-binding specificity. Thus, structural constraints in the avirulent toxins would determine their immunogenic nature for the prioritization of protein-based subunit vaccine/immunogens to avian and veterinary animals infected with C. botulinum. Copyright © 2016 Elsevier B.V. All rights reserved.

PDNAsite: Identification of DNA-binding Site from Protein Sequence by Incorporating Spatial and Sequence Context

PubMed Central

Zhou, Jiyun; Xu, Ruifeng; He, Yulan; Lu, Qin; Wang, Hongpeng; Kong, Bing

2016-01-01

Protein-DNA interactions are involved in many fundamental biological processes essential for cellular function. Most of the existing computational approaches employed only the sequence context of the target residue for its prediction. In the present study, for each target residue, we applied both the spatial context and the sequence context to construct the feature space. Subsequently, Latent Semantic Analysis (LSA) was applied to remove the redundancies in the feature space. Finally, a predictor (PDNAsite) was developed through the integration of the support vector machines (SVM) classifier and ensemble learning. Results on the PDNA-62 and the PDNA-224 datasets demonstrate that features extracted from spatial context provide more information than those from sequence context and the combination of them gives more performance gain. An analysis of the number of binding sites in the spatial context of the target site indicates that the interactions between binding sites next to each other are important for protein-DNA recognition and their binding ability. The comparison between our proposed PDNAsite method and the existing methods indicate that PDNAsite outperforms most of the existing methods and is a useful tool for DNA-binding site identification. A web-server of our predictor (http://hlt.hitsz.edu.cn:8080/PDNAsite/) is made available for free public accessible to the biological research community. PMID:27282833

Using neutral models to identify constraints on low-severity fire regimes.

Treesearch

Donald McKenzie; Amy E. Hessl; Lara-Karena B. Kellogg

2006-01-01

Climate, topography, fuel loadings, and human activities all affect spatial and temporal patterns of fire occurrence. Because fire is modeled as a stochastic process, for which each fire history is only one realization, a simulation approach is necessary to understand baseline variability, thereby identifying constraints, or forcing functions, that affect fire regimes...

General Constraints on Sampling Wildlife on FIA Plots

Treesearch

Larissa L. Bailey; John R. Sauer; James D. Nichols; Paul H. Geissler

2005-01-01

This paper reviews the constraints to sampling wildlife populations at FIA points. Wildlife sampling programs must have well-defined goals and provide information adequate to meet those goals. Investigators should choose a State variable based on information needs and the spatial sampling scale. We discuss estimation-based methods for three State variables: species...

Equilibrium-phase MR angiography: Comparison of unspecific extracellular and protein-binding gadolinium-based contrast media with respect to image quality.

PubMed

Erb-Eigner, Katharina; Taupitz, Matthias; Asbach, Patrick

2016-01-01

The purpose of this study was to compare contrast and image quality of whole-body equilibrium-phase high-spatial-resolution MR angiography using a non-protein-binding unspecific extracellular gadolinium-based contrast medium with that of two contrast media with different protein-binding properties. 45 patients were examined using either 15 mL of gadobutrol (non-protein-binding, n = 15), 32 mL of gadobenate dimeglumine (weakly protein binding, n = 15) or 11 mL gadofosveset trisodium (protein binding, n = 15) followed by equilibrium-phase high-spatial-resolution MR-angiography of four consecutive anatomic regions. The time elapsed between the contrast injection and the beginning of the equilibrium-phase image acquisition in the respective region was measured and was up to 21 min. Signal intensity was measured in two vessels per region and in muscle tissue. Relative contrast (RC) values were calculated. Vessel contrast, artifacts and image quality were rated by two radiologists in consensus on a five-point scale. Compared with gadobutrol, gadofosveset trisodium revealed significantly higher RC values only when acquired later than 15 min after bolus injection. Otherwise, no significant differences between the three contrast media were found regarding vascular contrast and image quality. Equilibrium-phase high-spatial-resolution MR-angiography using a weakly protein-binding or even non-protein-binding contrast medium is equivalent to using a stronger protein-binding contrast medium when image acquisition is within the first 15 min after contrast injection, and allows depiction of the vasculature with high contrast and image quality. The protein-binding contrast medium was superior for imaging only later than 15 min after contrast medium injection. Copyright © 2015 John Wiley & Sons, Ltd.

Spatial effects in real networks: Measures, null models, and applications

NASA Astrophysics Data System (ADS)

Ruzzenenti, Franco; Picciolo, Francesco; Basosi, Riccardo; Garlaschelli, Diego

2012-12-01

Spatially embedded networks are shaped by a combination of purely topological (space-independent) and space-dependent formation rules. While it is quite easy to artificially generate networks where the relative importance of these two factors can be varied arbitrarily, it is much more difficult to disentangle these two architectural effects in real networks. Here we propose a solution to this problem, by introducing global and local measures of spatial effects that, through a comparison with adequate null models, effectively filter out the spurious contribution of nonspatial constraints. Our filtering allows us to consistently compare different embedded networks or different historical snapshots of the same network. As a challenging application we analyze the World Trade Web, whose topology is known to depend on geographic distances but is also strongly determined by nonspatial constraints (degree sequence or gross domestic product). Remarkably, we are able to detect weak but significant spatial effects both locally and globally in the network, showing that our method succeeds in retrieving spatial information even when nonspatial factors dominate. We finally relate our results to the economic literature on gravity models and trade globalization.

Efficient Lane Boundary Detection with Spatial-Temporal Knowledge Filtering

PubMed Central

Nan, Zhixiong; Wei, Ping; Xu, Linhai; Zheng, Nanning

2016-01-01

Lane boundary detection technology has progressed rapidly over the past few decades. However, many challenges that often lead to lane detection unavailability remain to be solved. In this paper, we propose a spatial-temporal knowledge filtering model to detect lane boundaries in videos. To address the challenges of structure variation, large noise and complex illumination, this model incorporates prior spatial-temporal knowledge with lane appearance features to jointly identify lane boundaries. The model first extracts line segments in video frames. Two novel filters—the Crossing Point Filter (CPF) and the Structure Triangle Filter (STF)—are proposed to filter out the noisy line segments. The two filters introduce spatial structure constraints and temporal location constraints into lane detection, which represent the spatial-temporal knowledge about lanes. A straight line or curve model determined by a state machine is used to fit the line segments to finally output the lane boundaries. We collected a challenging realistic traffic scene dataset. The experimental results on this dataset and other standard dataset demonstrate the strength of our method. The proposed method has been successfully applied to our autonomous experimental vehicle. PMID:27529248

Emerging spatial curvature can resolve the tension between high-redshift CMB and low-redshift distance ladder measurements of the Hubble constant

NASA Astrophysics Data System (ADS)

Bolejko, Krzysztof

2018-05-01

The measurements of the Hubble constant reveal a tension between high-redshift (CMB) and low-redshift (distance ladder) constraints. So far neither observational systematics nor new physics has been successfully implemented to explain away this tension. This paper presents a new solution to the Hubble constant problem. The solution is based on the Simsilun simulation (relativistic simulation of the large scale structure of the Universe) with the ray-tracing algorithm implemented. The initial conditions for the Simsilun simulation were set up as perturbations around the Λ CDM model. However, unlike in the standard cosmological model (i.e., Λ CDM model +perturbations ), within the Simsilun simulation relativistic and nonlinear evolution of cosmic structures lead to the phenomenon of emerging spatial curvature, where the mean spatial curvature evolves from the spatial flatness of the early Universe towards the slightly curved present-day Universe. Consequently, the present-day expansion rate is slightly faster compared to the spatially flat Λ CDM model. The results of the ray-tracing analysis show that the Universe which starts with initial conditions consistent with the Planck constraints should have the Hubble constant H0=72.5 ±2.1 km s-1 Mpc-1 . When the Simsilun simulation was rerun with no inhomogeneities imposed, the Hubble constant inferred within such a homogeneous simulation was H0=68.1 ±2.0 km s-1 Mpc-1 . Thus, the inclusion of nonlinear relativistic evolution that leads to the emergence of the spatial curvature can explain why the low-redshift measurements favor higher values compared to the high-redshift constraints and alleviate the tension between the CMB and distance ladder measurements of the Hubble constant.

A extract method of mountainous area settlement place information from GF-1 high resolution optical remote sensing image under semantic constraints

NASA Astrophysics Data System (ADS)

Guo, H., II

2016-12-01

Spatial distribution information of mountainous area settlement place is of great significance to the earthquake emergency work because most of the key earthquake hazardous areas of china are located in the mountainous area. Remote sensing has the advantages of large coverage and low cost, it is an important way to obtain the spatial distribution information of mountainous area settlement place. At present, fully considering the geometric information, spectral information and texture information, most studies have applied object-oriented methods to extract settlement place information, In this article, semantic constraints is to be added on the basis of object-oriented methods. The experimental data is one scene remote sensing image of domestic high resolution satellite (simply as GF-1), with a resolution of 2 meters. The main processing consists of 3 steps, the first is pretreatment, including ortho rectification and image fusion, the second is Object oriented information extraction, including Image segmentation and information extraction, the last step is removing the error elements under semantic constraints, in order to formulate these semantic constraints, the distribution characteristics of mountainous area settlement place must be analyzed and the spatial logic relation between settlement place and other objects must be considered. The extraction accuracy calculation result shows that the extraction accuracy of object oriented method is 49% and rise up to 86% after the use of semantic constraints. As can be seen from the extraction accuracy, the extract method under semantic constraints can effectively improve the accuracy of mountainous area settlement place information extraction. The result shows that it is feasible to extract mountainous area settlement place information form GF-1 image, so the article proves that it has a certain practicality to use domestic high resolution optical remote sensing image in earthquake emergency preparedness.

Analyzing key constraints to biogas production from crop residues and manure in the EU—A spatially explicit model

PubMed Central

Persson, U. Martin

2017-01-01

This paper presents a spatially explicit method for making regional estimates of the potential for biogas production from crop residues and manure, accounting for key technical, biochemical, environmental and economic constraints. Methods for making such estimates are important as biofuels from agricultural residues are receiving increasing policy support from the EU and major biogas producers, such as Germany and Italy, in response to concerns over unintended negative environmental and social impacts of conventional biofuels. This analysis comprises a spatially explicit estimate of crop residue and manure production for the EU at 250 m resolution, and a biogas production model accounting for local constraints such as the sustainable removal of residues, transportation of substrates, and the substrates’ biochemical suitability for anaerobic digestion. In our base scenario, the EU biogas production potential from crop residues and manure is about 0.7 EJ/year, nearly double the current EU production of biogas from agricultural substrates, most of which does not come from residues or manure. An extensive sensitivity analysis of the model shows that the potential could easily be 50% higher or lower, depending on the stringency of economic, technical and biochemical constraints. We find that the potential is particularly sensitive to constraints on the substrate mixtures’ carbon-to-nitrogen ratio and dry matter concentration. Hence, the potential to produce biogas from crop residues and manure in the EU depends to large extent on the possibility to overcome the challenges associated with these substrates, either by complementing them with suitable co-substrates (e.g. household waste and energy crops), or through further development of biogas technology (e.g. pretreatment of substrates and recirculation of effluent). PMID:28141827

Analyzing key constraints to biogas production from crop residues and manure in the EU-A spatially explicit model.

PubMed

Einarsson, Rasmus; Persson, U Martin

2017-01-01

This paper presents a spatially explicit method for making regional estimates of the potential for biogas production from crop residues and manure, accounting for key technical, biochemical, environmental and economic constraints. Methods for making such estimates are important as biofuels from agricultural residues are receiving increasing policy support from the EU and major biogas producers, such as Germany and Italy, in response to concerns over unintended negative environmental and social impacts of conventional biofuels. This analysis comprises a spatially explicit estimate of crop residue and manure production for the EU at 250 m resolution, and a biogas production model accounting for local constraints such as the sustainable removal of residues, transportation of substrates, and the substrates' biochemical suitability for anaerobic digestion. In our base scenario, the EU biogas production potential from crop residues and manure is about 0.7 EJ/year, nearly double the current EU production of biogas from agricultural substrates, most of which does not come from residues or manure. An extensive sensitivity analysis of the model shows that the potential could easily be 50% higher or lower, depending on the stringency of economic, technical and biochemical constraints. We find that the potential is particularly sensitive to constraints on the substrate mixtures' carbon-to-nitrogen ratio and dry matter concentration. Hence, the potential to produce biogas from crop residues and manure in the EU depends to large extent on the possibility to overcome the challenges associated with these substrates, either by complementing them with suitable co-substrates (e.g. household waste and energy crops), or through further development of biogas technology (e.g. pretreatment of substrates and recirculation of effluent).

Combining energy and Laplacian regularization to accurately retrieve the depth of brain activity of diffuse optical tomographic data

NASA Astrophysics Data System (ADS)

Chiarelli, Antonio M.; Maclin, Edward L.; Low, Kathy A.; Mathewson, Kyle E.; Fabiani, Monica; Gratton, Gabriele

2016-03-01

Diffuse optical tomography (DOT) provides data about brain function using surface recordings. Despite recent advancements, an unbiased method for estimating the depth of absorption changes and for providing an accurate three-dimensional (3-D) reconstruction remains elusive. DOT involves solving an ill-posed inverse problem, requiring additional criteria for finding unique solutions. The most commonly used criterion is energy minimization (energy constraint). However, as measurements are taken from only one side of the medium (the scalp) and sensitivity is greater at shallow depths, the energy constraint leads to solutions that tend to be small and superficial. To correct for this bias, we combine the energy constraint with another criterion, minimization of spatial derivatives (Laplacian constraint, also used in low resolution electromagnetic tomography, LORETA). Used in isolation, the Laplacian constraint leads to solutions that tend to be large and deep. Using simulated, phantom, and actual brain activation data, we show that combining these two criteria results in accurate (error <2 mm) absorption depth estimates, while maintaining a two-point spatial resolution of <24 mm up to a depth of 30 mm. This indicates that accurate 3-D reconstruction of brain activity up to 30 mm from the scalp can be obtained with DOT.

A novel artificial immune algorithm for spatial clustering with obstacle constraint and its applications.

PubMed

Sun, Liping; Luo, Yonglong; Ding, Xintao; Zhang, Ji

2014-01-01

An important component of a spatial clustering algorithm is the distance measure between sample points in object space. In this paper, the traditional Euclidean distance measure is replaced with innovative obstacle distance measure for spatial clustering under obstacle constraints. Firstly, we present a path searching algorithm to approximate the obstacle distance between two points for dealing with obstacles and facilitators. Taking obstacle distance as similarity metric, we subsequently propose the artificial immune clustering with obstacle entity (AICOE) algorithm for clustering spatial point data in the presence of obstacles and facilitators. Finally, the paper presents a comparative analysis of AICOE algorithm and the classical clustering algorithms. Our clustering model based on artificial immune system is also applied to the case of public facility location problem in order to establish the practical applicability of our approach. By using the clone selection principle and updating the cluster centers based on the elite antibodies, the AICOE algorithm is able to achieve the global optimum and better clustering effect.

Preemptive spatial competition under a reproduction-mortality constraint.

PubMed

Allstadt, Andrew; Caraco, Thomas; Korniss, G

2009-06-21

Spatially structured ecological interactions can shape selection pressures experienced by a population's different phenotypes. We study spatial competition between phenotypes subject to antagonistic pleiotropy between reproductive effort and mortality rate. The constraint we invoke reflects a previous life-history analysis; the implied dependence indicates that although propagation and mortality rates both vary, their ratio is fixed. We develop a stochastic invasion approximation predicting that phenotypes with higher propagation rates will invade an empty environment (no biotic resistance) faster, despite their higher mortality rate. However, once population density approaches demographic equilibrium, phenotypes with lower mortality are favored, despite their lower propagation rate. We conducted a set of pairwise invasion analyses by simulating an individual-based model of preemptive competition. In each case, the phenotype with the lowest mortality rate and (via antagonistic pleiotropy) the lowest propagation rate qualified as evolutionarily stable among strategies simulated. This result, for a fixed propagation to mortality ratio, suggests that a selective response to spatial competition can extend the time scale of the population's dynamics, which in turn decelerates phenotypic evolution.

Allosteric Control of Icosahedral Capsid Assembly

PubMed Central

Lazaro, Guillermo R.

2017-01-01

During the lifecycle of a virus, viral proteins and other components self-assemble to form an ordered protein shell called a capsid. This assembly process is subject to multiple competing constraints, including the need to form a thermostable shell while avoiding kinetic traps. It has been proposed that viral assembly satisfies these constraints through allosteric regulation, including the interconversion of capsid proteins among conformations with different propensities for assembly. In this article we use computational and theoretical modeling to explore how such allostery affects the assembly of icosahedral shells. We simulate assembly under a wide range of protein concentrations, protein binding affinities, and two different mechanisms of allosteric control. We find that, above a threshold strength of allosteric control, assembly becomes robust over a broad range of subunit binding affinities and concentrations, allowing the formation of highly thermostable capsids. Our results suggest that allostery can significantly shift the range of protein binding affinities that lead to successful assembly, and thus should be accounted for in models that are used to estimate interaction parameters from experimental data. PMID:27117092

Peptide Inhibitors of the Amyloidogenesis of IAPP: Verification of the Hairpin Binding Geometry Hypothesis

PubMed Central

Sivanesam, Kalkena; Shu, Irene; Huggins, Kelly N. L.; Tatarek-Nossol, Marianna; Kapurniotu, Aphrodite; Andersen, Niels H.

2016-01-01

Versions of a previously discovered β-hairpin peptide inhibitor of IAPP aggregation that are stabilized in that conformation, or even forced to remain in the hairpin conformation by a backbone cyclization constraint, display superior activity as inhibitors. The cyclized hairpin, cyclo-WW2, displays inhibitory activity at sub-stoichiometric concentrations relative to this amyloidogenic peptide. The hairpin binding hypothesis stands confirmed. PMID:27317951

Interaction of metal ions and amino acids - Possible mechanisms for the adsorption of amino acids on homoionic smectite clays

NASA Technical Reports Server (NTRS)

Gupta, A.; Loew, G. H.; Lawless, J.

1983-01-01

A semiempirical molecular orbital method is used to characterize the binding of amino acids to hexahydrated Cu(2+) and Ni(2+), a process presumed to occur when they are adsorbed in the interlamellar space of homoionic smectite clays. Five alpha-amino acids, beta-alanine, and gamma-aminobutyric acid were used to investigate the metal ion and amino acid specificity in binding. It was assumed that the alpha, beta, and gamma-amino acids would bind as bidentate anionic ligands, forming either 1:1 or 1:2 six-coordinated five, six, and seven-membered-ring chelate complexes, respectively. Energies of complex formation, optimized geometries, and electron and spin distribution were determined; and steric constraints of binding of the amino acids to the ion-exchanged cations in the interlamellar spacing of a clay were examined. Results indicate that hexahydrated Cu(2+) forms more stable complexes than hexahydrated Ni(2+) with all the amino acids studied. However, among these amino acids, complex formation does not favor the adsorption of the biological subset. Calculated energetics of complex formation and steric constraints are shown to predict that 1:1 rather than 1:2 metal-amino acid complexes are generally favored in the clay.

Small pelagic fish reproductive strategies in upwelling systems: A natal homing evolutionary model to study environmental constraints

NASA Astrophysics Data System (ADS)

Brochier, T.; Colas, F.; Lett, C.; Echevin, V.; Cubillos, L. A.; Tam, J.; Chlaida, M.; Mullon, C.; Fréon, P.

2009-12-01

Although little is known about the individual-level mechanisms that influence small pelagic fish species’ reproductive strategy, Mullon et al. [Mullon, C., Cury, P., Penven, P., 2002. Evolutionary individual-based model for the recruitment of anchovy ( Engraulis capensis) in the southern Benguela. Canadian Journal of Fisheries and Aquatic Sciences 59, 910-922] showed that the observed anchovy spawning patterns in the southern Benguela Current system off South Africa could be accurately reproduced by simulating a natal homing reproductive strategy, i.e. individuals spawning at their natal date and place. Here we used a similar method, i.e., an individual-based model of the natal homing reproductive strategy, and applied it to other upwelling systems: the northern Humboldt Current system off Peru, the southern Humboldt Current system off Chile and the central Canary Current system off Morocco. We investigated the spatial (horizontal and vertical) and seasonal spawning patterns that emerged after applying different environmental constraints in the model, and compared these to observed spawning patterns of sardine and anchovy in their respective systems. The selective environmental constraints tested were: (1) lethal temperature; (2) retention over the continental shelf; and (3) avoidance of dispersive structures. Simulated horizontal spatial patterns and seasonal patterns compared reasonably well with field data, but vertical patterns in most cases did not. Similarly to what was found for the southern Benguela, temperature was a determinant constraint in the southern Humboldt. The shelf retention constraint led to selection of a particular spawning season during the period of minimum upwelling in all three of the upwelling regions considered, and to spatial patterns that matched observed anchovy spawning off Chile and sardine spawning off Morocco. The third constraint, avoidance of dispersive structures, led to the emergence of a spawning season during the period of maximum upwelling off Chile and Morocco, but not in Peru. The most accurate representation of observed spatio-temporal spawning patterns off Peru was achieved through a combination of shelf retention and non-dispersion constraints.

Binding proteins enhance specific uptake rate by increasing the substrate-transporter encounter rate.

PubMed

Bosdriesz, Evert; Magnúsdóttir, Stefanía; Bruggeman, Frank J; Teusink, Bas; Molenaar, Douwe

2015-06-01

Microorganisms rely on binding-protein assisted, active transport systems to scavenge for scarce nutrients. Several advantages of using binding proteins in such uptake systems have been proposed. However, a systematic, rigorous and quantitative analysis of the function of binding proteins is lacking. By combining knowledge of selection pressure and physiochemical constraints, we derive kinetic, thermodynamic, and stoichiometric properties of binding-protein dependent transport systems that enable a maximal import activity per amount of transporter. Under the hypothesis that this maximal specific activity of the transport complex is the selection objective, binding protein concentrations should exceed the concentration of both the scarce nutrient and the transporter. This increases the encounter rate of transporter with loaded binding protein at low substrate concentrations, thereby enhancing the affinity and specific uptake rate. These predictions are experimentally testable, and a number of observations confirm them. © 2015 FEBS.

Modeling Spectral Turnovers in Interplanetary Shocks Observed by ULYSSES

NASA Astrophysics Data System (ADS)

Summerlin, E. J.; Baring, M. G.

2009-12-01

Interplanetary shocks in the heliosphere provide excellent test cases for the simulation and theory of particle acceleration at shocks thanks to the presence of in-situ measurements and a relatively well understood initial particle distribution. The Monte-Carlo test particle simulation employed in this work has been previously used to study injection and acceleration from thermal energies into the high energy power-law tail at co-rotating interaction regions (CIRs) in the heliosphere presuming a steady state planar shock (Summerlin & Baring, 2006, Baring and Summerlin, 2008). These simulated power-spectra compare favorably with in-situ measurements from the ULYSSES spacecraft below 60 keV. However, to effectively model the high energy exponential cutoff at energies above 60 keV observed in these distributions, simulations must apply spatial or temporal constraints to the acceleration process. This work studies the effects of a variety of temporal and spatial co! nstraints (including spatial constraints on the turbulent region around the shock as determined by magnetometer data, spatial constraints related to the scale size of the shock and constraints on the acceleration time based on the known limits for the shock's lifetime) on the high energy cut-off and compares simulated particle spectra to those observed by the ULYSSES HI-SCALE instrument in an effort to determine which constraint is creating the cut-off and using that constraining parameter to determine additional information about the shock that can not, normally, be determined by a single data point, such as the spatial extent of the shock or how long the shock has been propagating through the heliosphere before it encounters the spacecraft. Shocks observed by multiple spacecraft will be of particular interest as their parameters will be better constrained than shocks observed by only one spacecraft. To achieve these goals, the simulation will be modified to include the re! trodictive approach of Jones (1978) to accurately track time spent dow nstream while maintaining, to large degree, the large dynamic range and short run times that make this type of simulation so attractive. This work is inspired by examinations of acceleration cutoffs in SEP events performed by various authors (see Li et al., 2009, and references therein), and it is hoped that this work will pave the way for a multi-species analysis similar to theirs that should greatly enhance the information one can derive about shocks based on individual observations.

Building flexible real-time systems using the Flex language

NASA Technical Reports Server (NTRS)

Kenny, Kevin B.; Lin, Kwei-Jay

1991-01-01

The design and implementation of a real-time programming language called Flex, which is a derivative of C++, are presented. It is shown how different types of timing requirements might be expressed and enforced in Flex, how they might be fulfilled in a flexible way using different program models, and how the programming environment can help in making binding and scheduling decisions. The timing constraint primitives in Flex are easy to use yet powerful enough to define both independent and relative timing constraints. Program models like imprecise computation and performance polymorphism can carry out flexible real-time programs. In addition, programmers can use a performance measurement tool that produces statistically correct timing models to predict the expected execution time of a program and to help make binding decisions. A real-time programming environment is also presented.

Ligand-based virtual screening under partial shape constraints.

PubMed

von Behren, Mathias M; Rarey, Matthias

2017-04-01

Ligand-based virtual screening has proven to be a viable technology during the search for new lead structures in drug discovery. Despite the rapidly increasing number of published methods, meaningful shape matching as well as ligand and target flexibility still remain open challenges. In this work, we analyze the influence of knowledge-based sterical constraints on the performance of the recently published ligand-based virtual screening method mRAISE. We introduce the concept of partial shape matching enabling a more differentiated view on chemical structure. The new method is integrated into the LBVS tool mRAISE providing multiple options for such constraints. The applied constraints can either be derived automatically from a protein-ligand complex structure or by manual selection of ligand atoms. In this way, the descriptor directly encodes the fit of a ligand into the binding site. Furthermore, the conservation of close contacts between the binding site surface and the query ligand can be enforced. We validated our new method on the DUD and DUD-E datasets. Although the statistical performance remains on the same level, detailed analysis reveal that for certain and especially very flexible targets a significant improvement can be achieved. This is further highlighted looking at the quality of calculated molecular alignments using the recently introduced mRAISE dataset. The new partial shape constraints improved the overall quality of molecular alignments especially for difficult targets with highly flexible or different sized molecules. The software tool mRAISE is freely available on Linux operating systems for evaluation purposes and academic use (see http://www.zbh.uni-hamburg.de/raise ).

Ligand-based virtual screening under partial shape constraints

NASA Astrophysics Data System (ADS)

von Behren, Mathias M.; Rarey, Matthias

2017-04-01

Ligand-based virtual screening has proven to be a viable technology during the search for new lead structures in drug discovery. Despite the rapidly increasing number of published methods, meaningful shape matching as well as ligand and target flexibility still remain open challenges. In this work, we analyze the influence of knowledge-based sterical constraints on the performance of the recently published ligand-based virtual screening method mRAISE. We introduce the concept of partial shape matching enabling a more differentiated view on chemical structure. The new method is integrated into the LBVS tool mRAISE providing multiple options for such constraints. The applied constraints can either be derived automatically from a protein-ligand complex structure or by manual selection of ligand atoms. In this way, the descriptor directly encodes the fit of a ligand into the binding site. Furthermore, the conservation of close contacts between the binding site surface and the query ligand can be enforced. We validated our new method on the DUD and DUD-E datasets. Although the statistical performance remains on the same level, detailed analysis reveal that for certain and especially very flexible targets a significant improvement can be achieved. This is further highlighted looking at the quality of calculated molecular alignments using the recently introduced mRAISE dataset. The new partial shape constraints improved the overall quality of molecular alignments especially for difficult targets with highly flexible or different sized molecules. The software tool mRAISE is freely available on Linux operating systems for evaluation purposes and academic use (see http://www.zbh.uni-hamburg.de/raise).

Elucidating the Functional Roles of Spatial Organization in Cross-Membrane Signal Transduction by a Hybrid Simulation Method.

PubMed

Chen, Jiawen; Xie, Zhong-Ru; Wu, Yinghao

2016-07-01

The ligand-binding of membrane receptors on cell surfaces initiates the dynamic process of cross-membrane signal transduction. It is an indispensable part of the signaling network for cells to communicate with external environments. Recent experiments revealed that molecular components in signal transduction are not randomly mixed, but spatially organized into distinctive patterns. These patterns, such as receptor clustering and ligand oligomerization, lead to very different gene expression profiles. However, little is understood about the molecular mechanisms and functional impacts of this spatial-temporal regulation in cross-membrane signal transduction. In order to tackle this problem, we developed a hybrid computational method that decomposes a model of signaling network into two simulation modules. The physical process of binding between receptors and ligands on cell surfaces are simulated by a diffusion-reaction algorithm, while the downstream biochemical reactions are modeled by stochastic simulation of Gillespie algorithm. These two processes are coupled together by a synchronization framework. Using this method, we tested the dynamics of a simple signaling network in which the ligand binding of cell surface receptors triggers the phosphorylation of protein kinases, and in turn regulates the expression of target genes. We found that spatial aggregation of membrane receptors at cellular interfaces is able to either amplify or inhibit downstream signaling outputs, depending on the details of clustering mechanism. Moreover, by providing higher binding avidity, the co-localization of ligands into multi-valence complex modulates signaling in very different ways that are closely related to the binding affinity between ligand and receptor. We also found that the temporal oscillation of the signaling pathway that is derived from genetic feedback loops can be modified by the spatial clustering of membrane receptors. In summary, our method demonstrates the functional importance of spatial organization in cross-membrane signal transduction. The method can be applied to any specific signaling pathway in cells.

Research on the decision-making model of land-use spatial optimization

NASA Astrophysics Data System (ADS)

He, Jianhua; Yu, Yan; Liu, Yanfang; Liang, Fei; Cai, Yuqiu

2009-10-01

Using the optimization result of landscape pattern and land use structure optimization as constraints of CA simulation results, a decision-making model of land use spatial optimization is established coupled the landscape pattern model with cellular automata to realize the land use quantitative and spatial optimization simultaneously. And Huangpi district is taken as a case study to verify the rationality of the model.

Spatial Memory in the Morris Water Maze and Activation of Cyclic AMP Response Element-Binding (CREB) Protein within the Mouse Hippocampus

ERIC Educational Resources Information Center

Porte, Yves; Buhot, Marie Christine; Mons, Nicole E.

2008-01-01

We investigated the spatio-temporal dynamics of learning-induced cAMP response element-binding protein activation/phosphorylation (pCREB) in mice trained in a spatial reference memory task in the water maze. Using immunohistochemistry, we examined pCREB immunoreactivity (pCREB-ir) in hippocampal CA1 and CA3 and related brain structures. During the…

Cardiac transient outward potassium current: a pulse chemistry model of frequency-dependent properties.

PubMed

Liu, L; Krinsky, V I; Grant, A O; Starmer, C F

1996-01-01

Recent voltage-clamp studies of isolated myocytes have demonstrated widespread occurrence of a transient outward current (I(to)) carried by potassium ions. In the canine ventricle, this current is well developed in epicardial cells but not in endocardial cells. The resultant spatial dispersion of refractoriness is potentially proarrhythmic and may be amplified by channel blockade. The inactivation and recovery time constants of this channel are in excess of several hundred milliseconds, and consequently channel availability is frequency dependent at physiological stimulation rates. When the time constants associated with transitions between different channel conformations are rapid relative to drug binding kinetics, the interactions between drugs and an ion channel can be approximated by a sequence of first-order reactions, in which binding occurs in pulses in response to pulse train stimulation (pulse chemistry). When channel conformation transition time constants do not meet this constraint, analytical characterizations of the drug-channel interaction must then be modified to reflect the channel time-dependent properties. Here we report that the rate and steady-state amount of frequency-dependent inactivation of I(to) are consistent with a generalization of the channel blockade model: channel availability is reduced in a pulsatile exponential pattern as the stimulation frequency is increased, and the rate of reduction is a linear function of the pulse train depolarizing and recovery intervals. I(to) was reduced in the presence of quinidine. After accounting for the use-dependent availability of I(to) channels, we found little evidence of an additional use-dependent component of block after exposure to quinidine, suggesting that quinidine reacts with both open and closed I(to) channels as though the binding site is continuously accessible. The model provides a useful tool for assessing drug-channel interactions when the reaction cannot be continuously monitored.

Cytometer on a chip

NASA Technical Reports Server (NTRS)

Lynes, Michael A. (Inventor); Fernandez, Salvador M. (Inventor)

2010-01-01

An assay technique for label-free, highly parallel, qualitative and quantitative detection of specific cell populations in a sample and for assessing cell functional status, cell-cell interactions and cellular responses to drugs, environmental toxins, bacteria, viruses and other factors that may affect cell function. The technique includes a) creating a first array of binding regions in a predetermined spatial pattern on a sensor surface capable of specifically binding the cells to be assayed; b) creating a second set of binding regions in specific spatial patterns relative to the first set designed to efficiently capture potential secreted or released products from cells captured on the first set of binding regions; c) contacting the sensor surface with the sample, and d) simultaneously monitoring the optical properties of all the binding regions of the sensor surface to determine the presence and concentration of specific cell populations in the sample and their functional status by detecting released or secreted bioproducts.

On Anaphora and the Binding Principles in Categorial Grammar

NASA Astrophysics Data System (ADS)

Morrill, Glyn; Valentín, Oriol

In type logical categorial grammar the analysis of an expression is a resource-conscious proof. Anaphora represents a particular challenge to this approach in that the antecedent resource is multiplied in the semantics. This duplication, which corresponds logically to the structural rule of contraction, may be treated lexically or syntactically. Furthermore, anaphora is subject to constraints, which Chomsky (1981) formulated as Binding Principles A, B, and C. In this paper we consider English anaphora in categorial grammar including reference to the binding principles. We invoke displacement calculus, modal categorial calculus, categorial calculus with limited contraction, and entertain addition of negation as failure.

Shrub expansion in northern Chihuahuan Desert grasslands: Spatial patterns of transition and biophysical constraints

USDA-ARS?s Scientific Manuscript database

Among the greatest contemporary threats to the structure, function and biological diversity of desert grassland and shrub savanna ecosystems of the southwestern United States is the displacement of mesophytic grasses by xerophytic woody plants. Through a combination of field sampling and spatial mod...

Effect of Temporal Constraints on Hemispheric Asymmetries during Spatial Frequency Processing

ERIC Educational Resources Information Center

Peyrin, Carole; Mermillod, Martial; Chokron, Sylvie; Marendaz, Christian

2006-01-01

Studies on functional hemispheric asymmetries have suggested that the right vs. left hemisphere should be predominantly involved in low vs. high spatial frequency (SF) analysis, respectively. By manipulating exposure duration of filtered natural scene images, we examined whether the temporal characteristics of SF analysis (i.e., the temporal…

Peptide Inhibitors of the amyloidogenesis of IAPP: verification of the hairpin-binding geometry hypothesis.

PubMed

Sivanesam, Kalkena; Shu, Irene; Huggins, Kelly N L; Tatarek-Nossol, Marianna; Kapurniotu, Aphrodite; Andersen, Niels H

2016-08-01

Versions of a previously discovered β-hairpin peptide inhibitor of IAPP aggregation that are stabilized in that conformation, or even forced to remain in the hairpin conformation by a backbone cyclization constraint, display superior activity as inhibitors. The cyclized hairpin, cyclo-WW2, displays inhibitory activity at substoichiometric concentrations relative to this amyloidogenic peptide. The hairpin-binding hypothesis stands confirmed. © 2016 Federation of European Biochemical Societies.

How gene order is influenced by the biophysics of transcription regulation

PubMed Central

Kolesov, Grigory; Wunderlich, Zeba; Laikova, Olga N.; Gelfand, Mikhail S.; Mirny, Leonid A.

2007-01-01

What are the forces that shape the structure of prokaryotic genomes: the order of genes, their proximity, and their orientation? Coregulation and coordinated horizontal gene transfer are believed to promote the proximity of functionally related genes and the formation of operons. However, forces that influence the structure of the genome beyond the level of a single operon remain unknown. Here, we show that the biophysical mechanism by which regulatory proteins search for their sites on DNA can impose constraints on genome structure. Using simulations, we demonstrate that rapid and reliable gene regulation requires that the transcription factor (TF) gene be close to the site on DNA the TF has to bind, thus promoting the colocalization of TF genes and their targets on the genome. We use parameters that have been measured in recent experiments to estimate the relevant length and times scales of this process and demonstrate that the search for a cognate site may be prohibitively slow if a TF has a low copy number and is not colocalized. We also analyze TFs and their sites in a number of bacterial genomes, confirm that they are colocalized significantly more often than expected, and show that this observation cannot be attributed to the pressure for coregulation or formation of selfish gene clusters, thus supporting the role of the biophysical constraint in shaping the structure of prokaryotic genomes. Our results demonstrate how spatial organization can influence timing and noise in gene expression. PMID:17709750

Unbiased, scalable sampling of protein loop conformations from probabilistic priors.

PubMed

Zhang, Yajia; Hauser, Kris

2013-01-01

Protein loops are flexible structures that are intimately tied to function, but understanding loop motion and generating loop conformation ensembles remain significant computational challenges. Discrete search techniques scale poorly to large loops, optimization and molecular dynamics techniques are prone to local minima, and inverse kinematics techniques can only incorporate structural preferences in adhoc fashion. This paper presents Sub-Loop Inverse Kinematics Monte Carlo (SLIKMC), a new Markov chain Monte Carlo algorithm for generating conformations of closed loops according to experimentally available, heterogeneous structural preferences. Our simulation experiments demonstrate that the method computes high-scoring conformations of large loops (>10 residues) orders of magnitude faster than standard Monte Carlo and discrete search techniques. Two new developments contribute to the scalability of the new method. First, structural preferences are specified via a probabilistic graphical model (PGM) that links conformation variables, spatial variables (e.g., atom positions), constraints and prior information in a unified framework. The method uses a sparse PGM that exploits locality of interactions between atoms and residues. Second, a novel method for sampling sub-loops is developed to generate statistically unbiased samples of probability densities restricted by loop-closure constraints. Numerical experiments confirm that SLIKMC generates conformation ensembles that are statistically consistent with specified structural preferences. Protein conformations with 100+ residues are sampled on standard PC hardware in seconds. Application to proteins involved in ion-binding demonstrate its potential as a tool for loop ensemble generation and missing structure completion.

Unbiased, scalable sampling of protein loop conformations from probabilistic priors

PubMed Central

2013-01-01

Background Protein loops are flexible structures that are intimately tied to function, but understanding loop motion and generating loop conformation ensembles remain significant computational challenges. Discrete search techniques scale poorly to large loops, optimization and molecular dynamics techniques are prone to local minima, and inverse kinematics techniques can only incorporate structural preferences in adhoc fashion. This paper presents Sub-Loop Inverse Kinematics Monte Carlo (SLIKMC), a new Markov chain Monte Carlo algorithm for generating conformations of closed loops according to experimentally available, heterogeneous structural preferences. Results Our simulation experiments demonstrate that the method computes high-scoring conformations of large loops (>10 residues) orders of magnitude faster than standard Monte Carlo and discrete search techniques. Two new developments contribute to the scalability of the new method. First, structural preferences are specified via a probabilistic graphical model (PGM) that links conformation variables, spatial variables (e.g., atom positions), constraints and prior information in a unified framework. The method uses a sparse PGM that exploits locality of interactions between atoms and residues. Second, a novel method for sampling sub-loops is developed to generate statistically unbiased samples of probability densities restricted by loop-closure constraints. Conclusion Numerical experiments confirm that SLIKMC generates conformation ensembles that are statistically consistent with specified structural preferences. Protein conformations with 100+ residues are sampled on standard PC hardware in seconds. Application to proteins involved in ion-binding demonstrate its potential as a tool for loop ensemble generation and missing structure completion. PMID:24565175

Frustration-guided motion planning reveals conformational transitions in proteins

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

Budday, Dominik; Fonseca, Rasmus; Leyendecker, Sigrid

Proteins exist as conformational ensembles, exchanging between substates to perform their function. Advances in experimental techniques yield unprecedented access to structural snapshots of their conformational landscape. However, computationally modeling how proteins use collective motions to transition between substates is challenging owing to a rugged landscape and large energy barriers. Here in this paper, we present a new, robotics-inspired motion planning procedure called dCCRRT that navigates the rugged landscape between substates by introducing dynamic, interatomic constraints to modulate frustration. The constraints balance non-native contacts and flexibility, and instantaneously redirect the motion towards sterically favorable conformations. On a test set of eightmore » proteins determined in two conformations separated by, on average, 7.5Å root mean square deviation (RMSD), our pathways reduced the Cα atom RMSD to the goal conformation by 78%, outperforming peer methods. Additionally, we then applied dCC-RRT to examine how collective, small-scale motions of four side-chains in the active site of cyclophilin A propagate through the protein. dCC-RRT uncovered a spatially contiguous network of residues linked by steric interactions and collective motion connecting the active site to a recently proposed, non-canonical capsid binding site 25Å away, rationalizing NMR and multi-temperature crystallography experiments. In all, dCC-RRT can reveal detailed, all-atom molecular mechanisms for small and large amplitude motions.Source code and binaries are freely available at https://github.com/ExcitedStates/KGS/.« less

Frustration-guided motion planning reveals conformational transitions in proteins.

PubMed

Budday, Dominik; Fonseca, Rasmus; Leyendecker, Sigrid; van den Bedem, Henry

2017-10-01

Proteins exist as conformational ensembles, exchanging between substates to perform their function. Advances in experimental techniques yield unprecedented access to structural snapshots of their conformational landscape. However, computationally modeling how proteins use collective motions to transition between substates is challenging owing to a rugged landscape and large energy barriers. Here, we present a new, robotics-inspired motion planning procedure called dCC-RRT that navigates the rugged landscape between substates by introducing dynamic, interatomic constraints to modulate frustration. The constraints balance non-native contacts and flexibility, and instantaneously redirect the motion towards sterically favorable conformations. On a test set of eight proteins determined in two conformations separated by, on average, 7.5 Å root mean square deviation (RMSD), our pathways reduced the Cα atom RMSD to the goal conformation by 78%, outperforming peer methods. We then applied dCC-RRT to examine how collective, small-scale motions of four side-chains in the active site of cyclophilin A propagate through the protein. dCC-RRT uncovered a spatially contiguous network of residues linked by steric interactions and collective motion connecting the active site to a recently proposed, non-canonical capsid binding site 25 Å away, rationalizing NMR and multi-temperature crystallography experiments. In all, dCC-RRT can reveal detailed, all-atom molecular mechanisms for small and large amplitude motions. Source code and binaries are freely available at https://github.com/ExcitedStates/KGS/. © 2017 Wiley Periodicals, Inc.

Frustration-guided motion planning reveals conformational transitions in proteins

DOE PAGES

Budday, Dominik; Fonseca, Rasmus; Leyendecker, Sigrid; ...

2017-07-12

Proteins exist as conformational ensembles, exchanging between substates to perform their function. Advances in experimental techniques yield unprecedented access to structural snapshots of their conformational landscape. However, computationally modeling how proteins use collective motions to transition between substates is challenging owing to a rugged landscape and large energy barriers. Here in this paper, we present a new, robotics-inspired motion planning procedure called dCCRRT that navigates the rugged landscape between substates by introducing dynamic, interatomic constraints to modulate frustration. The constraints balance non-native contacts and flexibility, and instantaneously redirect the motion towards sterically favorable conformations. On a test set of eightmore » proteins determined in two conformations separated by, on average, 7.5Å root mean square deviation (RMSD), our pathways reduced the Cα atom RMSD to the goal conformation by 78%, outperforming peer methods. Additionally, we then applied dCC-RRT to examine how collective, small-scale motions of four side-chains in the active site of cyclophilin A propagate through the protein. dCC-RRT uncovered a spatially contiguous network of residues linked by steric interactions and collective motion connecting the active site to a recently proposed, non-canonical capsid binding site 25Å away, rationalizing NMR and multi-temperature crystallography experiments. In all, dCC-RRT can reveal detailed, all-atom molecular mechanisms for small and large amplitude motions.Source code and binaries are freely available at https://github.com/ExcitedStates/KGS/.« less

A virtual pebble game to ensemble average graph rigidity.

PubMed

González, Luis C; Wang, Hui; Livesay, Dennis R; Jacobs, Donald J

2015-01-01

The body-bar Pebble Game (PG) algorithm is commonly used to calculate network rigidity properties in proteins and polymeric materials. To account for fluctuating interactions such as hydrogen bonds, an ensemble of constraint topologies are sampled, and average network properties are obtained by averaging PG characterizations. At a simpler level of sophistication, Maxwell constraint counting (MCC) provides a rigorous lower bound for the number of internal degrees of freedom (DOF) within a body-bar network, and it is commonly employed to test if a molecular structure is globally under-constrained or over-constrained. MCC is a mean field approximation (MFA) that ignores spatial fluctuations of distance constraints by replacing the actual molecular structure by an effective medium that has distance constraints globally distributed with perfect uniform density. The Virtual Pebble Game (VPG) algorithm is a MFA that retains spatial inhomogeneity in the density of constraints on all length scales. Network fluctuations due to distance constraints that may be present or absent based on binary random dynamic variables are suppressed by replacing all possible constraint topology realizations with the probabilities that distance constraints are present. The VPG algorithm is isomorphic to the PG algorithm, where integers for counting "pebbles" placed on vertices or edges in the PG map to real numbers representing the probability to find a pebble. In the VPG, edges are assigned pebble capacities, and pebble movements become a continuous flow of probability within the network. Comparisons between the VPG and average PG results over a test set of proteins and disordered lattices demonstrate the VPG quantitatively estimates the ensemble average PG results well. The VPG performs about 20% faster than one PG, and it provides a pragmatic alternative to averaging PG rigidity characteristics over an ensemble of constraint topologies. The utility of the VPG falls in between the most accurate but slowest method of ensemble averaging over hundreds to thousands of independent PG runs, and the fastest but least accurate MCC.

Spatial patterns of hydro-social metrics in the Northeastern United States from the Colonial Era through the Industrial Revolution (1600-1920)

NASA Astrophysics Data System (ADS)

Witherell, B. B.; Bain, D. J.; Salant, N.; Aloysius, N. R.

2009-12-01

Humans impact the hydrologic cycle at local, regional and global scales. Understanding how spatial patterns of human water use and hydrologic impact have changed over time is important to future water management in an era of increasing water constraints and globalization of high water-use resources. This study investigates spatial dependence and spatial patterns of hydro-social metrics for the Northeastern United States from 1600 to 1920 through the use of spatial statistical techniques. Several relevant hydro-social metrics, including water residence time, surface water storage (natural and human engineered) and per capita water availability, are analyzed. This study covers a region and period of time that saw significant population growth, landscape change, and industrial growth. These changes had important impacts on water availability. Although some changes such as the elimination of beavers, and the resulting loss of beaver ponds on low-order streams, are felt at a regional scale, preliminary analysis indicates that humans responded to water constraints by acting locally (e.g., mill ponds for water power and water supply reservoirs for public health). This 320-year historical analysis of spatial patterns of hydro-social metrics provides unique insight into long-term changes in coupled human-water systems.

Constraints on Multiple Object Tracking in Williams Syndrome: How Atypical Development Can Inform Theories of Visual Processing

ERIC Educational Resources Information Center

Ferrara, Katrina; Hoffman, James E.; O'Hearn, Kirsten; Landau, Barbara

2016-01-01

The ability to track moving objects is a crucial skill for performance in everyday spatial tasks. The tracking mechanism depends on representation of moving items as coherent entities, which follow the spatiotemporal constraints of objects in the world. In the present experiment, participants tracked 1 to 4 targets in a display of 8 identical…

Deploying initial attack resources for wildfire suppression: spatial coordination, budget constraints, and capacity constraints

Treesearch

Yohan Lee; Jeremy S. Fried; Heidi J. Albers; Robert G. Haight

2013-01-01

We combine a scenario-based, standard-response optimization model with stochastic simulation to improve the efficiency of resource deployment for initial attack on wildland fires in three planning units in California. The optimization model minimizes the expected number of fires that do not receive a standard response--defined as the number of resources by type that...

Spatial, Hysteretic, and Adaptive Host-Guest Chemistry in a Metal-Organic Framework with Open Watson-Crick Sites.

PubMed

Cai, Hong; Li, Mian; Lin, Xiao-Rong; Chen, Wei; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan

2015-09-01

Biological and artificial molecules and assemblies capable of supramolecular recognition, especially those with nucleobase pairing, usually rely on autonomous or collective binding to function. Advanced site-specific recognition takes advantage of cooperative spatial effects, as in local folding in protein-DNA binding. Herein, we report a new nucleobase-tagged metal-organic framework (MOF), namely ZnBTCA (BTC=benzene-1,3,5-tricarboxyl, A=adenine), in which the exposed Watson-Crick faces of adenine residues are immobilized periodically on the interior crystalline surface. Systematic control experiments demonstrated the cooperation of the open Watson-Crick sites and spatial effects within the nanopores, and thermodynamic and kinetic studies revealed a hysteretic host-guest interaction attributed to mild chemisorption. We further exploited this behavior for adenine-thymine binding within the constrained pores, and a globally adaptive response of the MOF host was observed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamics simulations for engineering macromolecular interactions

NASA Astrophysics Data System (ADS)

Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A.; Way, Jeffrey

2013-06-01

The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20 000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could simultaneously bind to distinct cell-surface receptors, and explored the landscape of linker lengths and stiffnesses that could enhance receptor binding of one ligand when the other ligand has already bound to its receptor, thus, addressing potential mechanisms for improving targeted signal transduction proteins. These specific results have implications for the design of targeted fusion proteins and artificial transcription factors involving fusion of natural domains. More broadly, the simulation framework described here could be extended to include more detailed system features such as non-spherical protein shapes and electrostatics, without requiring detailed, computationally expensive specifications. This framework should be useful in predicting behavior of engineered protein systems including binding and dissociation reactions.

Dynamics simulations for engineering macromolecular interactions.

PubMed

Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A; Way, Jeffrey

2013-06-01

The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20,000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could simultaneously bind to distinct cell-surface receptors, and explored the landscape of linker lengths and stiffnesses that could enhance receptor binding of one ligand when the other ligand has already bound to its receptor, thus, addressing potential mechanisms for improving targeted signal transduction proteins. These specific results have implications for the design of targeted fusion proteins and artificial transcription factors involving fusion of natural domains. More broadly, the simulation framework described here could be extended to include more detailed system features such as non-spherical protein shapes and electrostatics, without requiring detailed, computationally expensive specifications. This framework should be useful in predicting behavior of engineered protein systems including binding and dissociation reactions.

msCentipede: Modeling Heterogeneity across Genomic Sites and Replicates Improves Accuracy in the Inference of Transcription Factor Binding

PubMed Central

Gilad, Yoav; Pritchard, Jonathan K.; Stephens, Matthew

2015-01-01

Understanding global gene regulation depends critically on accurate annotation of regulatory elements that are functional in a given cell type. CENTIPEDE, a powerful, probabilistic framework for identifying transcription factor binding sites from tissue-specific DNase I cleavage patterns and genomic sequence content, leverages the hypersensitivity of factor-bound chromatin and the information in the DNase I spatial cleavage profile characteristic of each DNA binding protein to accurately infer functional factor binding sites. However, the model for the spatial profile in this framework fails to account for the substantial variation in the DNase I cleavage profiles across different binding sites. Neither does it account for variation in the profiles at the same binding site across multiple replicate DNase I experiments, which are increasingly available. In this work, we introduce new methods, based on multi-scale models for inhomogeneous Poisson processes, to account for such variation in DNase I cleavage patterns both within and across binding sites. These models account for the spatial structure in the heterogeneity in DNase I cleavage patterns for each factor. Using DNase-seq measurements assayed in a lymphoblastoid cell line, we demonstrate the improved performance of this model for several transcription factors by comparing against the Chip-seq peaks for those factors. Finally, we explore the effects of DNase I sequence bias on inference of factor binding using a simple extension to our framework that allows for a more flexible background model. The proposed model can also be easily applied to paired-end ATAC-seq and DNase-seq data. msCentipede, a Python implementation of our algorithm, is available at http://rajanil.github.io/msCentipede. PMID:26406244

msCentipede: Modeling Heterogeneity across Genomic Sites and Replicates Improves Accuracy in the Inference of Transcription Factor Binding.

PubMed

Raj, Anil; Shim, Heejung; Gilad, Yoav; Pritchard, Jonathan K; Stephens, Matthew

2015-01-01

Understanding global gene regulation depends critically on accurate annotation of regulatory elements that are functional in a given cell type. CENTIPEDE, a powerful, probabilistic framework for identifying transcription factor binding sites from tissue-specific DNase I cleavage patterns and genomic sequence content, leverages the hypersensitivity of factor-bound chromatin and the information in the DNase I spatial cleavage profile characteristic of each DNA binding protein to accurately infer functional factor binding sites. However, the model for the spatial profile in this framework fails to account for the substantial variation in the DNase I cleavage profiles across different binding sites. Neither does it account for variation in the profiles at the same binding site across multiple replicate DNase I experiments, which are increasingly available. In this work, we introduce new methods, based on multi-scale models for inhomogeneous Poisson processes, to account for such variation in DNase I cleavage patterns both within and across binding sites. These models account for the spatial structure in the heterogeneity in DNase I cleavage patterns for each factor. Using DNase-seq measurements assayed in a lymphoblastoid cell line, we demonstrate the improved performance of this model for several transcription factors by comparing against the Chip-seq peaks for those factors. Finally, we explore the effects of DNase I sequence bias on inference of factor binding using a simple extension to our framework that allows for a more flexible background model. The proposed model can also be easily applied to paired-end ATAC-seq and DNase-seq data. msCentipede, a Python implementation of our algorithm, is available at http://rajanil.github.io/msCentipede.

Spatial control of translation repression and polarized growth by conserved NDR kinase Orb6 and RNA-binding protein Sts5.

PubMed

Nuñez, Illyce; Rodriguez Pino, Marbelys; Wiley, David J; Das, Maitreyi E; Chen, Chuan; Goshima, Tetsuya; Kume, Kazunori; Hirata, Dai; Toda, Takashi; Verde, Fulvia

2016-07-30

RNA-binding proteins contribute to the formation of ribonucleoprotein (RNP) granules by phase transition, but regulatory mechanisms are not fully understood. Conserved fission yeast NDR (Nuclear Dbf2-Related) kinase Orb6 governs cell morphogenesis in part by spatially controlling Cdc42 GTPase. Here we describe a novel, independent function for Orb6 kinase in negatively regulating the recruitment of RNA-binding protein Sts5 into RNPs to promote polarized cell growth. We find that Orb6 kinase inhibits Sts5 recruitment into granules, its association with processing (P) bodies, and degradation of Sts5-bound mRNAs by promoting Sts5 interaction with 14-3-3 protein Rad24. Many Sts5-bound mRNAs encode essential factors for polarized cell growth, and Orb6 kinase spatially and temporally controls the extent of Sts5 granule formation. Disruption of this control system affects cell morphology and alters the pattern of polarized cell growth, revealing a role for Orb6 kinase in the spatial control of translational repression that enables normal cell morphogenesis.

Topography-mediated controls on local vegetation phenology estimated from MODIS vegetation index

Treesearch

Taehee Hwang; Conghe Song; James Vose; Lawrence Band

2011-01-01

Forest canopy phenology is an important constraint on annual water and carbon budgets, and responds to regional interannual climate variation. In steep terrain, there are complex spatial variations in phenology due to topographic influences on microclimate, community composition, and available soil moisture. In this study, we investigate spatial patterns of phenology...

Identification of spatially-localized initial conditions via sparse PCA

NASA Astrophysics Data System (ADS)

Dwivedi, Anubhav; Jovanovic, Mihailo

2017-11-01

Principal Component Analysis involves maximization of a quadratic form subject to a quadratic constraint on the initial flow perturbations and it is routinely used to identify the most energetic flow structures. For general flow configurations, principal components can be efficiently computed via power iteration of the forward and adjoint governing equations. However, the resulting flow structures typically have a large spatial support leading to a question of physical realizability. To obtain spatially-localized structures, we modify the quadratic constraint on the initial condition to include a convex combination with an additional regularization term which promotes sparsity in the physical domain. We formulate this constrained optimization problem as a nonlinear eigenvalue problem and employ an inverse power-iteration-based method to solve it. The resulting solution is guaranteed to converge to a nonlinear eigenvector which becomes increasingly localized as our emphasis on sparsity increases. We use several fluids examples to demonstrate that our method indeed identifies the most energetic initial perturbations that are spatially compact. This work was supported by Office of Naval Research through Grant Number N00014-15-1-2522.

Optimal Area Use in Orb Webs of the Spider Araneus diadematus

NASA Astrophysics Data System (ADS)

Krink, T.; Vollrath, F.

We studied the abilities of the garden cross spider Araneus diadematus regarding adaptation of web geometry to spatial constraints. Spiders reacted to a spatial reduction in their building site from a square-shaped frame to a slimmer, rectangular frame (side ratio 1 : 2) by maintaining overall web geometry while reducing the web area covered by the sticky capture spiral. However, when the frames were changed further to a rectangular side ratio of 1 : 3, the spiders changed specific web properties in such a way that a further reduction in the capture spiral area was prevented. Construction of the threads making up the web frame and the auxiliary spiral requires that the spider explores the spatial constraints of its building site. The geometry of both frame and auxiliary spiral threads in turn determine the geometry of the capture threads. Since in very narrow frames the spider adjusted the auxiliary to suit the subsequent capture spiral, we suggest that an initial spatial survey led to the final adaptation of overall web geometry to a web site.

Optimal area use in orb webs of the spider Araneus diadematus.

PubMed

Krink, T; Vollrath, F

2000-02-01

We studied the abilities of the garden cross spider Araneus diadematus regarding adaptation of web geometry to spatial constraints. Spiders reacted to a spatial reduction in their building site from a square-shaped frame to a slimmer, rectangular frame (side ratio 1 : 2) by maintaining overall web geometry while reducing the web area covered by the sticky capture spiral. However, when the frames were changed further to a rectangular side ratio of 1 : 3, the spiders changed specific web properties in such a way that a further reduction in the capture spiral area was prevented. Construction of the threads making up the web frame and the auxiliary spiral requires that the spider explores the spatial constraints of its building site. The geometry of both frame and auxiliary spiral threads in turn determine the geometry of the capture threads. Since in very narrow frames the spider adjusted the auxiliary to suit the subsequent capture spiral, we suggest that an initial spatial survey led to the final adaptation of overall web geometry to a web site.

Landmark and route knowledge in children's spatial representation of a virtual environment.

PubMed

Nys, Marion; Gyselinck, Valérie; Orriols, Eric; Hickmann, Maya

2014-01-01

This study investigates the development of landmark and route knowledge in complex wayfinding situations. It focuses on how children (aged 6, 8, and 10 years) and young adults (n = 79) indicate, recognize, and bind landmarks and directions in both verbal and visuo-spatial tasks after learning a virtual route. Performance in these tasks is also related to general verbal and visuo-spatial abilities as assessed by independent standardized tests (attention, working memory, perception of direction, production and comprehension of spatial terms, sentences and stories). The results first show that the quantity and quality of landmarks and directions produced and recognized by participants in both verbal and visuo-spatial tasks increased with age. In addition, an increase with age was observed in participants' selection of decisional landmarks (i.e., landmarks associated with a change of direction), as well as in their capacity to bind landmarks and directions. Our results support the view that children first acquire landmark knowledge, then route knowledge, as shown by their late developing ability to bind knowledge of directions and landmarks. Overall, the quality of verbal and visuo-spatial information in participants' spatial representations was found to vary mostly with their visuo-spatial abilities (attention and perception of directions) and not with their verbal abilities. Interestingly, however, when asked to recognize landmarks encountered during the route, participants show an increasing bias with age toward choosing a related landmark of the same category, regardless of its visual characteristics, i.e., they incorrectly choose the picture of another fountain. The discussion highlights the need for further studies to determine more precisely the role of verbal and visuo-spatial knowledge and the nature of how children learn to represent and memorize routes.

Combining parallel detection of proton echo planar spectroscopic imaging (PEPSI) measurements with a data-consistency constraint improves SNR.

PubMed

Tsai, Shang-Yueh; Hsu, Yi-Cheng; Chu, Ying-Hua; Kuo, Wen-Jui; Lin, Fa-Hsuan

2015-12-01

One major challenge of MRSI is the poor signal-to-noise ratio (SNR), which can be improved by using a surface coil array. Here we propose to exploit the spatial sensitivity of different channels of a coil array to enforce the k-space data consistency (DC) in order to suppress noise and consequently to improve MRSI SNR. MRSI data were collected using a proton echo planar spectroscopic imaging (PEPSI) sequence at 3 T using a 32-channel coil array and were averaged with one, two and eight measurements (avg-1, avg-2 and avg-8). The DC constraint was applied using a regularization parameter λ of 1, 2, 3, 5 or 10. Metabolite concentrations were quantified using LCModel. Our results show that the suppression of noise by applying the DC constraint to PEPSI reconstruction yields up to 32% and 27% SNR gain for avg-1 and avg-2 data with λ = 5, respectively. According to the reported Cramer-Rao lower bounds, the improvement in metabolic fitting was significant (p < 0.01) when the DC constraint was applied with λ ≥ 2. Using the DC constraint with λ = 3 or 5 can minimize both root-mean-square errors and spatial variation for all subjects using the avg-8 data set as reference values. Our results suggest that MRSI reconstructed with a DC constraint can save around 70% of scanning time to obtain images and spectra with similar SNRs using λ = 5. Copyright © 2015 John Wiley & Sons, Ltd.

Dark matter constraints from a joint analysis of dwarf Spheroidal galaxy observations with VERITAS

DOE PAGES

Archambault, S.; Archer, A.; Benbow, W.; ...

2017-04-05

We present constraints on the annihilation cross section of weakly interacting massive particles dark matter based on the joint statistical analysis of four dwarf galaxies with VERITAS. These results are derived from an optimized photon weighting statistical technique that improves on standard imaging atmospheric Cherenkov telescope (IACT) analyses by utilizing the spectral and spatial properties of individual photon events.

Testing Geometrical Discrimination within an Enzyme Active Site: Constrained Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole

PubMed Central

Sigala, Paul A.; Kraut, Daniel A.; Caaveiro, Jose M. M.; Pybus, Brandon; Ruben, Eliza A.; Ringe, Dagmar; Petsko, Gregory A.; Herschlag, Daniel

2009-01-01

Enzymes are classically proposed to accelerate reactions by binding substrates within active site environments that are structurally preorganized to optimize binding interactions with reaction transition states rather than ground states. This is a remarkably formidable task considering the limited 0.1 – 1 Å scale of most substrate rearrangements. The flexibility of active site functional groups along the coordinate of substrate rearrangement, the distance scale on which enzymes can distinguish structural rearrangement, and the energetic significance of discrimination on that scale remain open questions that are fundamental to a basic physical understanding of enzyme active sites and catalysis. We bring together high resolution X-ray crystallography, 1H and 19F NMR spectroscopy, quantum mechanical calculations, and transition state analog binding measurements to test the distance scale on which non-covalent forces can constrain side chain and ligand relaxation or translation along a specific coordinate and the energetic consequences of such geometric constraints within the active site of bacterial ketosteroid isomerase (KSI). Our results strongly suggest that packing and binding interactions within the KSI active site can constrain local side chain reorientation and prevent hydrogen bond shortening by 0.1 Å or less. Further, this constraint has substantial energetic effects on ligand binding and stabilization of negative charge within the oxyanion hole. These results provide evidence that subtle geometric effects, indistinguishable in most X-ray crystallographic structures, can have significant energetic consequences and highlight the importance of using synergistic experimental approaches to dissect enzyme function. PMID:18808119

Dynamics of tactical behaviour in association football when manipulating players' space of interaction.

PubMed

Ric, Angel; Torrents, Carlota; Gonçalves, Bruno; Torres-Ronda, Lorena; Sampaio, Jaime; Hristovski, Robert

2017-01-01

The analysis of positional data in association football allows the spatial distribution of players during matches to be described in order to improve the understanding of tactical-related constraints on the behavioural dynamics of players. The aim of this study was to identify how players' spatial restrictions affected the exploratory tactical behaviour and constrained the perceptual-motor workspace of players in possession of the ball, as well as inter-player passing interactions. Nineteen professional outfield male players were divided into two teams of 10 and 9 players, respectively. The game was played under three spatial constraints: a) players were not allowed to move out of their allocated zones, except for the player in possession of the ball; b) players were allowed to move to an adjacent zone, and; c) non-specific spatial constraints. Positional data was captured using a 5 Hz interpolated GPS tracking system and used to define the configuration states of players for each second in time. The configuration state comprised 37 categories derived from tactical actions, distance from the nearest opponent, distance from the target and movement speed. Notational analysis of players in possession of the ball allowed the mean time of ball possession and the probabilities of passing the ball between players to be calculated. The results revealed that the players' long-term exploratory behaviour decreased and their short-term exploration increased when restricting their space of interaction. Relaxing players' positional constraints seemed to increase the speed of ball flow dynamics. Allowing players to move to an adjacent sub-area increased the probabilities of interaction with the full-back during play build-up. The instability of the coordinative state defined by being free from opponents when players had the ball possession was an invariant feature under all three task constraints. By allowing players to move to adjacent sub-areas, the coordinative state became highly unstable when the distance from the target decreased. Ball location relative to the scoring zone and interpersonal distance constitute key environmental information that constrains the players' coordinative behaviour. Based on our results, dynamic overlap is presented as a good option to capture tactical performance. Moreover, the selected collective (i.e. relational) variables would allow coaches to identify the effects of training drills on teams and players' behaviour. More research is needed considering these type variables to understand how the manipulation of constraints induce a more stable or flexible dynamical structure of tactical behaviour.

Dynamics of tactical behaviour in association football when manipulating players' space of interaction

PubMed Central

Torrents, Carlota; Gonçalves, Bruno; Torres-Ronda, Lorena; Sampaio, Jaime; Hristovski, Robert

2017-01-01

The analysis of positional data in association football allows the spatial distribution of players during matches to be described in order to improve the understanding of tactical-related constraints on the behavioural dynamics of players. The aim of this study was to identify how players’ spatial restrictions affected the exploratory tactical behaviour and constrained the perceptual-motor workspace of players in possession of the ball, as well as inter-player passing interactions. Nineteen professional outfield male players were divided into two teams of 10 and 9 players, respectively. The game was played under three spatial constraints: a) players were not allowed to move out of their allocated zones, except for the player in possession of the ball; b) players were allowed to move to an adjacent zone, and; c) non-specific spatial constraints. Positional data was captured using a 5 Hz interpolated GPS tracking system and used to define the configuration states of players for each second in time. The configuration state comprised 37 categories derived from tactical actions, distance from the nearest opponent, distance from the target and movement speed. Notational analysis of players in possession of the ball allowed the mean time of ball possession and the probabilities of passing the ball between players to be calculated. The results revealed that the players’ long-term exploratory behaviour decreased and their short-term exploration increased when restricting their space of interaction. Relaxing players’ positional constraints seemed to increase the speed of ball flow dynamics. Allowing players to move to an adjacent sub-area increased the probabilities of interaction with the full-back during play build-up. The instability of the coordinative state defined by being free from opponents when players had the ball possession was an invariant feature under all three task constraints. By allowing players to move to adjacent sub-areas, the coordinative state became highly unstable when the distance from the target decreased. Ball location relative to the scoring zone and interpersonal distance constitute key environmental information that constrains the players’ coordinative behaviour. Based on our results, dynamic overlap is presented as a good option to capture tactical performance. Moreover, the selected collective (i.e. relational) variables would allow coaches to identify the effects of training drills on teams and players’ behaviour. More research is needed considering these type variables to understand how the manipulation of constraints induce a more stable or flexible dynamical structure of tactical behaviour. PMID:28708868

Riboswitches: emerging themes in RNA structure and function.

PubMed

Montange, Rebecca K; Batey, Robert T

2008-01-01

Riboswitches are RNAs capable of binding cellular metabolites using a diverse array of secondary and tertiary structures to modulate gene expression. The recent determination of the three-dimensional structures of parts of six different riboswitches illuminates common features that allow riboswitches to be grouped into one of two types. Type I riboswitches, as exemplified by the purine riboswitch, are characterized by a single, localized binding pocket supported by a largely pre-established global fold. This arrangement limits ligand-induced conformational changes in the RNA to a small region. In contrast, Type II riboswitches, such as the thiamine pyrophosphate riboswitch, contain binding pockets split into at least two spatially distinct sites. As a result, binding induces both local changes to the binding pocket and global architecture. Similar organizational themes are found in other noncoding RNAs, making it possible to begin to build a hierarchical classification of RNA structure based on the spatial organization of their active sites and associated secondary structural elements.

A simple and efficient method to enhance audiovisual binding tendencies

PubMed Central

Wozny, David R.; Shams, Ladan

2017-01-01

Individuals vary in their tendency to bind signals from multiple senses. For the same set of sights and sounds, one individual may frequently integrate multisensory signals and experience a unified percept, whereas another individual may rarely bind them and often experience two distinct sensations. Thus, while this binding/integration tendency is specific to each individual, it is not clear how plastic this tendency is in adulthood, and how sensory experiences may cause it to change. Here, we conducted an exploratory investigation which provides evidence that (1) the brain’s tendency to bind in spatial perception is plastic, (2) that it can change following brief exposure to simple audiovisual stimuli, and (3) that exposure to temporally synchronous, spatially discrepant stimuli provides the most effective method to modify it. These results can inform current theories about how the brain updates its internal model of the surrounding sensory world, as well as future investigations seeking to increase integration tendencies. PMID:28462016

Coevolutionary constraints in the sequence-space of macromolecular complexes reflect their self-assembly pathways.

PubMed

Mallik, Saurav; Kundu, Sudip

2017-07-01

Is the order in which biomolecular subunits self-assemble into functional macromolecular complexes imprinted in their sequence-space? Here, we demonstrate that the temporal order of macromolecular complex self-assembly can be efficiently captured using the landscape of residue-level coevolutionary constraints. This predictive power of coevolutionary constraints is irrespective of the structural, functional, and phylogenetic classification of the complex and of the stoichiometry and quaternary arrangement of the constituent monomers. Combining this result with a number of structural attributes estimated from the crystal structure data, we find indications that stronger coevolutionary constraints at interfaces formed early in the assembly hierarchy probably promotes coordinated fixation of mutations that leads to high-affinity binding with higher surface area, increased surface complementarity and elevated number of molecular contacts, compared to those that form late in the assembly. Proteins 2017; 85:1183-1189. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Mobilities, Moorings and Boundary Marking in Developing Semantic Technologies in Educational Practices

ERIC Educational Resources Information Center

Edwards, Richard; Tracy, Fran; Jordan, Katy

2011-01-01

While much attention has been given to the changing spaces of education introduced by new technologies, the impact of spatial theory on the discussion of such education is less well developed. Drawing upon empirical evidence from the Ensemble research project, this article examines spatially some of the possibilities and constraints that arise in…

The neural correlates of age effects on verbal-spatial binding in working memory.

PubMed

Meier, Timothy B; Nair, Veena A; Meyerand, Mary E; Birn, Rasmus M; Prabhakaran, Vivek

2014-06-01

In this study, we investigated the neural correlates of age-related differences in the binding of verbal and spatial information utilizing event-related working memory tasks. Twenty-one right handed younger adults and twenty-one right handed older adults performed two versions of a dual task of verbal and spatial working memory. In the unbound dual task version letters and locations were presented simultaneously in separate locations, while in the bound dual task version each letter was paired with a specific location. In order to identify binding-specific differences, mixed-effects ANOVAs were run with the interaction of age and task as the effect of interest. Although older adults performed worse in the bound task than younger adults, there was no significant interaction between task and age on working memory performance. However, interactions of age and task were observed in brain activity analyses. Older adults did not display the greater unbound than bound task activity that younger adults did at the encoding phase in bilateral inferior parietal lobule, right putamen, and globus pallidus as well as at the maintenance phase in the cerebellum. We conclude that the binding of letters and locations in working memory is not as efficient in older adults as it is in younger adults, possibly due to the decline of cognitive control processes that are specific to working memory binding. Copyright © 2014 Elsevier B.V. All rights reserved.

Space-based constraints on spatial and temporal patterns of NO(x) emissions in California, 2005-2008.

PubMed

Russell, Ashley R; Valin, Lukas C; Bucsela, Eric J; Wenig, Mark O; Cohen, Ronald C

2010-05-01

We describe ground and space-based measurements of spatial and temporal variation of NO(2) in four California metropolitan regions. The measurements of weekly cycles and trends over the years 2005-2008 observed both from the surface and from space are nearly identical to each other. Observed decreases in Los Angeles and the surrounding cities are 46% on weekends and 9%/year from 2005-2008. Similar decreases are observed in the San Francisco Bay area and in Sacramento. In the San Joaquin Valley cities of Fresno and Bakersfield weekend decreases are much smaller, only 27%, and the decreasing trend is only 4%/year. We describe evidence that the satellite observations provide a uniquely complete view of changes in spatial patterns over time. For example, we observe variations in the spatial pattern of weekday-weekend concentrations in the Los Angeles basin with much steeper weekend decreases at the eastern edge of the basin. We also observe that the spatial extent of high NO(2) in the San Joaquin Valley has not receded as much as it has for other regions in the state. Analysis of these measurements is used to describe observational constraints on temporal trends in emission sources in the different regions.

Spatial-temporal travel pattern mining using massive taxi trajectory data

NASA Astrophysics Data System (ADS)

Zheng, Linjiang; Xia, Dong; Zhao, Xin; Tan, Longyou; Li, Hang; Chen, Li; Liu, Weining

2018-07-01

Deep understanding of residents' travel patterns would provide helpful insights into the mechanisms of many socioeconomic phenomena. With the rapid development of location-aware computing technologies, researchers have easy access to large quantities of travel data. As an important data source, taxi trajectory data are featured by their high quality, good continuity and wide distribution, making it suitable for travel pattern mining. In this paper, we use taxi trajectory data to study spatial-temporal characterization of urban residents' travel patterns from two aspects: attractive areas and hot paths. Firstly, a framework of trajectory preprocessing, including data cleaning and extracting the taxi passenger pick-up/drop-off points, is presented to reduce the noise and redundancy in raw trajectory data. Then, a grid density based clustering algorithm is proposed to discover travel attractive areas in different periods of a day. On this basis, we put forward a spatial-temporal trajectory clustering method to discover hot paths among travel attractive areas. Compared with previous algorithms, which only consider the spatial constraint between trajectories, temporal constraint is also considered in our method. Through the experiments, we discuss how to determine the optimal parameters of the two clustering algorithms and verify the effectiveness of the algorithms using real data. Furthermore, we analyze spatial-temporal characterization of Chongqing residents' travel pattern.

Functional connectivity supporting the selective maintenance of feature-location binding in visual working memory

PubMed Central

Takahama, Sachiko; Saiki, Jun

2014-01-01

Information on an object's features bound to its location is very important for maintaining object representations in visual working memory. Interactions with dynamic multi-dimensional objects in an external environment require complex cognitive control, including the selective maintenance of feature-location binding. Here, we used event-related functional magnetic resonance imaging to investigate brain activity and functional connectivity related to the maintenance of complex feature-location binding. Participants were required to detect task-relevant changes in feature-location binding between objects defined by color, orientation, and location. We compared a complex binding task requiring complex feature-location binding (color-orientation-location) with a simple binding task in which simple feature-location binding, such as color-location, was task-relevant and the other feature was task-irrelevant. Univariate analyses showed that the dorsolateral prefrontal cortex (DLPFC), hippocampus, and frontoparietal network were activated during the maintenance of complex feature-location binding. Functional connectivity analyses indicated cooperation between the inferior precentral sulcus (infPreCS), DLPFC, and hippocampus during the maintenance of complex feature-location binding. In contrast, the connectivity for the spatial updating of simple feature-location binding determined by reanalyzing the data from Takahama et al. (2010) demonstrated that the superior parietal lobule (SPL) cooperated with the DLPFC and hippocampus. These results suggest that the connectivity for complex feature-location binding does not simply reflect general memory load and that the DLPFC and hippocampus flexibly modulate the dorsal frontoparietal network, depending on the task requirements, with the infPreCS involved in the maintenance of complex feature-location binding and the SPL involved in the spatial updating of simple feature-location binding. PMID:24917833

Functional connectivity supporting the selective maintenance of feature-location binding in visual working memory.

PubMed

Takahama, Sachiko; Saiki, Jun

2014-01-01

Information on an object's features bound to its location is very important for maintaining object representations in visual working memory. Interactions with dynamic multi-dimensional objects in an external environment require complex cognitive control, including the selective maintenance of feature-location binding. Here, we used event-related functional magnetic resonance imaging to investigate brain activity and functional connectivity related to the maintenance of complex feature-location binding. Participants were required to detect task-relevant changes in feature-location binding between objects defined by color, orientation, and location. We compared a complex binding task requiring complex feature-location binding (color-orientation-location) with a simple binding task in which simple feature-location binding, such as color-location, was task-relevant and the other feature was task-irrelevant. Univariate analyses showed that the dorsolateral prefrontal cortex (DLPFC), hippocampus, and frontoparietal network were activated during the maintenance of complex feature-location binding. Functional connectivity analyses indicated cooperation between the inferior precentral sulcus (infPreCS), DLPFC, and hippocampus during the maintenance of complex feature-location binding. In contrast, the connectivity for the spatial updating of simple feature-location binding determined by reanalyzing the data from Takahama et al. (2010) demonstrated that the superior parietal lobule (SPL) cooperated with the DLPFC and hippocampus. These results suggest that the connectivity for complex feature-location binding does not simply reflect general memory load and that the DLPFC and hippocampus flexibly modulate the dorsal frontoparietal network, depending on the task requirements, with the infPreCS involved in the maintenance of complex feature-location binding and the SPL involved in the spatial updating of simple feature-location binding.

High precision and high yield fabrication of dense nanoparticle arrays onto DNA origami at statistically independent binding sites

NASA Astrophysics Data System (ADS)

Takabayashi, Sadao; Klein, William P.; Onodera, Craig; Rapp, Blake; Flores-Estrada, Juan; Lindau, Elias; Snowball, Lejmarc; Sam, Joseph T.; Padilla, Jennifer E.; Lee, Jeunghoon; Knowlton, William B.; Graugnard, Elton; Yurke, Bernard; Kuang, Wan; Hughes, William L.

2014-10-01

High precision, high yield, and high density self-assembly of nanoparticles into arrays is essential for nanophotonics. Spatial deviations as small as a few nanometers can alter the properties of near-field coupled optical nanostructures. Several studies have reported assemblies of few nanoparticle structures with controlled spacing using DNA nanostructures with variable yield. Here, we report multi-tether design strategies and attachment yields for homo- and hetero-nanoparticle arrays templated by DNA origami nanotubes. Nanoparticle attachment yield via DNA hybridization is comparable with streptavidin-biotin binding. Independent of the number of binding sites, >97% site-occupation was achieved with four tethers and 99.2% site-occupation is theoretically possible with five tethers. The interparticle distance was within 2 nm of all design specifications and the nanoparticle spatial deviations decreased with interparticle spacing. Modified geometric, binomial, and trinomial distributions indicate that site-bridging, steric hindrance, and electrostatic repulsion were not dominant barriers to self-assembly and both tethers and binding sites were statistically independent at high particle densities.High precision, high yield, and high density self-assembly of nanoparticles into arrays is essential for nanophotonics. Spatial deviations as small as a few nanometers can alter the properties of near-field coupled optical nanostructures. Several studies have reported assemblies of few nanoparticle structures with controlled spacing using DNA nanostructures with variable yield. Here, we report multi-tether design strategies and attachment yields for homo- and hetero-nanoparticle arrays templated by DNA origami nanotubes. Nanoparticle attachment yield via DNA hybridization is comparable with streptavidin-biotin binding. Independent of the number of binding sites, >97% site-occupation was achieved with four tethers and 99.2% site-occupation is theoretically possible with five tethers. The interparticle distance was within 2 nm of all design specifications and the nanoparticle spatial deviations decreased with interparticle spacing. Modified geometric, binomial, and trinomial distributions indicate that site-bridging, steric hindrance, and electrostatic repulsion were not dominant barriers to self-assembly and both tethers and binding sites were statistically independent at high particle densities. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr03069a

The performance of the spatiotemporal Kalman filter and LORETA in seizure onset localization.

PubMed

Hamid, Laith; Sarabi, Masoud; Japaridze, Natia; Wiegand, Gert; Heute, Ulrich; Stephani, Ulrich; Galka, Andreas; Siniatchkin, Michael

2015-08-01

The assumption of spatial-smoothness is often used to solve the bioelectric inverse problem during electroencephalographic (EEG) source imaging, e.g., in low resolution electromagnetic tomography (LORETA). Since the EEG data show a temporal structure, the combination of the temporal-smoothness and the spatial-smoothness constraints may improve the solution of the EEG inverse problem. This study investigates the performance of the spatiotemporal Kalman filter (STKF) method, which is based on spatial and temporal smoothness, in the localization of a focal seizure's onset and compares its results to those of LORETA. The main finding of the study was that the STKF with an autoregressive model of order two significantly outperformed LORETA in the accuracy and consistency of the localization, provided that the source space consists of a whole-brain volumetric grid. In the future, these promising results will be confirmed using data from more patients and performing statistical analyses on the results. Furthermore, the effects of the temporal smoothness constraint will be studied using different types of focal seizures.

Magnetic resonance image restoration via dictionary learning under spatially adaptive constraints.

PubMed

Wang, Shanshan; Xia, Yong; Dong, Pei; Feng, David Dagan; Luo, Jianhua; Huang, Qiu

2013-01-01

This paper proposes a spatially adaptive constrained dictionary learning (SAC-DL) algorithm for Rician noise removal in magnitude magnetic resonance (MR) images. This algorithm explores both the strength of dictionary learning to preserve image structures and the robustness of local variance estimation to remove signal-dependent Rician noise. The magnitude image is first separated into a number of partly overlapping image patches. The statistics of each patch are collected and analyzed to obtain a local noise variance. To better adapt to Rician noise, a correction factor is formulated with the local signal-to-noise ratio (SNR). Finally, the trained dictionary is used to denoise each image patch under spatially adaptive constraints. The proposed algorithm has been compared to the popular nonlocal means (NLM) filtering and unbiased NLM (UNLM) algorithm on simulated T1-weighted, T2-weighted and PD-weighted MR images. Our results suggest that the SAC-DL algorithm preserves more image structures while effectively removing the noise than NLM and it is also superior to UNLM at low noise levels.

Dynein-Based Accumulation of Membranes Regulates Nuclear Expansion in Xenopus laevis Egg Extracts.

PubMed

Hara, Yuki; Merten, Christoph A

2015-06-08

Nuclear size changes dynamically during development and has long been observed to correlate with the space surrounding the nucleus, as well as with the volume of the cell. Here we combine an in vitro cell-free system of Xenopus laevis egg extract with microfluidic devices to systematically analyze the effect of spatial constraints. The speed of nuclear expansion depended on the available space surrounding the nucleus up to a threshold volume in the nanoliter range, herein referred to as the nuclear domain. Under spatial constraints smaller than this nuclear domain, the size of microtubule-occupied space surrounding the nucleus turned out to be limiting for the accumulation of membranes around the nucleus via the motor protein dynein, therefore determining the speed of nuclear expansion. This mechanism explains how spatial information surrounding the nucleus, such as the positioning of the nucleus inside the cell, can control nuclear expansion. Copyright © 2015 Elsevier Inc. All rights reserved.

Spatial Coverage Planning and Optimization for Planetary Exploration

NASA Technical Reports Server (NTRS)

Gaines, Daniel M.; Estlin, Tara; Chouinard, Caroline

2008-01-01

We are developing onboard planning and scheduling technology to enable in situ robotic explorers, such as rovers and aerobots, to more effectively assist scientists in planetary exploration. In our current work, we are focusing on situations in which the robot is exploring large geographical features such as craters, channels or regional boundaries. In to develop valid and high quality plans, the robot must take into account a range of scientific and engineering constraints and preferences. We have developed a system that incorporates multiobjective optimization and planning allowing the robot to generate high quality mission operations plans that respect resource limitations and mission constraints while attempting to maximize science and engineering objectives. An important scientific objective for the exploration of geological features is selecting observations that spatially cover an area of interest. We have developed a metric to enable an in situ explorer to reason about and track the spatial coverage quality of a plan. We describe this technique and show how it is combined in the overall multiobjective optimization and planning algorithm.

Percolation of spatially constraint networks

NASA Astrophysics Data System (ADS)

Li, Daqing; Li, Guanliang; Kosmidis, Kosmas; Stanley, H. E.; Bunde, Armin; Havlin, Shlomo

2011-03-01

We study how spatial constraints are reflected in the percolation properties of networks embedded in one-dimensional chains and two-dimensional lattices. We assume long-range connections between sites on the lattice where two sites at distance r are chosen to be linked with probability p(r)~r-δ. Similar distributions have been found in spatially embedded real networks such as social and airline networks. We find that for networks embedded in two dimensions, with 2<δ<4, the percolation properties show new intermediate behavior different from mean field, with critical exponents that depend on δ. For δ<2, the percolation transition belongs to the universality class of percolation in Erdös-Rényi networks (mean field), while for δ>4 it belongs to the universality class of percolation in regular lattices. For networks embedded in one dimension, we find that, for δ<1, the percolation transition is mean field. For 1<δ<2, the critical exponents depend on δ, while for δ>2 there is no percolation transition as in regular linear chains.

Using GIS to generate spatially balanced random survey designs for natural resource applications.

PubMed

Theobald, David M; Stevens, Don L; White, Denis; Urquhart, N Scott; Olsen, Anthony R; Norman, John B

2007-07-01

Sampling of a population is frequently required to understand trends and patterns in natural resource management because financial and time constraints preclude a complete census. A rigorous probability-based survey design specifies where to sample so that inferences from the sample apply to the entire population. Probability survey designs should be used in natural resource and environmental management situations because they provide the mathematical foundation for statistical inference. Development of long-term monitoring designs demand survey designs that achieve statistical rigor and are efficient but remain flexible to inevitable logistical or practical constraints during field data collection. Here we describe an approach to probability-based survey design, called the Reversed Randomized Quadrant-Recursive Raster, based on the concept of spatially balanced sampling and implemented in a geographic information system. This provides environmental managers a practical tool to generate flexible and efficient survey designs for natural resource applications. Factors commonly used to modify sampling intensity, such as categories, gradients, or accessibility, can be readily incorporated into the spatially balanced sample design.

Self-dissimilar landscapes: Revealing the signature of geologic constraints on landscape dissection via topologic and multi-scale analysis

NASA Astrophysics Data System (ADS)

Danesh-Yazdi, Mohammad; Tejedor, Alejandro; Foufoula-Georgiou, Efi

2017-10-01

Climatic or geologic controls, such as tectonics or glacial drainage, might impose constraints on landscape self-organization resulting in spatial patterns of rivers and valleys which do not obey the typical self-similar relationships found in most landscapes. The goal of this study is to quantify how such geologic constraints express themselves on channel network topology, spatial heterogeneity of drainage patterns, and emergence of preferred scales of landscape dissection. We use as an example a basin located in the Upper Midwestern United States where successive glaciations over the past thousand years have led to a pronounced spatially anisotropic channel network structure which defeats most scaling laws of fluvial landscapes. This is contrasted with another river basin in the North-Central U.S. which has been organized under the absence of major geologic influences and follows a typical self-similar channel network organization. We show how the geologic constraints have imposed a competition for space which is captured in the slope-local drainage density probabilistic structure, in the failure of self-similarity in basin-wide river network topology, and in the length-area scaling relationship being not typical of fluvial landscapes. Via a two-dimensional wavelet analysis and synthesis, we demonstrate the occurrence of a gap in the power spectrum which corresponds to the presence of preferred scales of organization, and characterize them through multi-scale detrending. The developed methodologies can be useful in advancing our geomorphologic understanding of how external controls might manifest themselves in creating a landscape dissection that is outside the norm and how this dissection can be studied objectively for understanding cause and effect.

Ligand Binding to WW Tandem Domains of YAP2 Transcriptional Regulator Is Under Negative Cooperativity

PubMed Central

Schuchardt, Brett J.; Mikles, David C.; Hoang, Lawrence M.; Bhat, Vikas; McDonald, Caleb B.; Sudol, Marius; Farooq, Amjad

2014-01-01

YAP2 transcriptional regulator drives a multitude of cellular processes, including the newly discovered Hippo tumor suppressor pathway, by virtue of the ability of its WW domains to bind and recruit PPXY-containing ligands to specific subcellular compartments. Herein, we employ an array of biophysical tools to investigate allosteric communication between the WW tandem domains of YAP2. Our data show that the WW tandem domains of YAP2 negatively cooperate when binding to their cognate ligands. Moreover, the molecular origin of such negative cooperativity lies in an unfavorable entropic contribution to the overall free energy relative to ligand binding to isolated WW domains. Consistent with this notion, the WW tandem domains adopt a fixed spatial orientation such that the WW1 domain curves outwards and stacks onto the binding groove of WW2 domain, thereby sterically hindering ligand binding to both itself and its tandem partner. Although ligand binding to both WW domains disrupts such interdomain stacking interaction, they reorient themselves and adopt an alternative fixed spatial orientation in the liganded state by virtue of their ability to engage laterally so as to allow their binding grooves to point outwards and away from each other. In short, while the ability of WW tandem domains to aid ligand binding is well-documented, our demonstration that they may also be subject to negative binding cooperativity represents a paradigm shift in our understanding of the molecular action of this ubiquitous family of protein modules. PMID:25283809

Setting local rank constraints by orthogonal projections for image resolution analysis: application to the determination of a low dose pharmaceutical compound.

PubMed

Boiret, Mathieu; de Juan, Anna; Gorretta, Nathalie; Ginot, Yves-Michel; Roger, Jean-Michel

2015-09-10

Raman chemical imaging provides chemical and spatial information about pharmaceutical drug product. By using resolution methods on acquired spectra, the objective is to calculate pure spectra and distribution maps of image compounds. With multivariate curve resolution-alternating least squares, constraints are used to improve the performance of the resolution and to decrease the ambiguity linked to the final solution. Non negativity and spatial local rank constraints have been identified as the most powerful constraints to be used. In this work, an alternative method to set local rank constraints is proposed. The method is based on orthogonal projections pretreatment. For each drug product compound, raw Raman spectra are orthogonally projected to a basis including all the variability from the formulation compounds other than the product of interest. Presence or absence of the compound of interest is obtained by observing the correlations between the orthogonal projected spectra and a pure spectrum orthogonally projected to the same basis. By selecting an appropriate threshold, maps of presence/absence of compounds can be set up for all the product compounds. This method appears as a powerful approach to identify a low dose compound within a pharmaceutical drug product. The maps of presence/absence of compounds can be used as local rank constraints in resolution methods, such as multivariate curve resolution-alternating least squares process in order to improve the resolution of the system. The method proposed is particularly suited for pharmaceutical systems, where the identity of all compounds in the formulations is known and, therefore, the space of interferences can be well defined. Copyright © 2015 Elsevier B.V. All rights reserved.

Constraints on the dark matter neutralinos from the radio emissions of galaxy clusters

NASA Astrophysics Data System (ADS)

Kiew, Ching-Yee; Hwang, Chorng-Yuan; Zainal Abibin, Zamri

2017-05-01

By assuming the dark matter to be composed of neutralinos, we used the detection of upper limit on diffuse radio emission in a sample of galaxy clusters to put constraint on the properties of neutralinos. We showed the upper limit constraint on <σv>-mχ space with neutralino annihilation through b\\bar{b} and μ+μ- channels. The best constraint is from the galaxy clusters A2199 and A1367. We showed the uncertainty due to the density profile and cluster magnetic field. The largest uncertainty comes from the uncertainty in dark matter spatial distribution. We also investigated the constraints on minimal Supergravity (mSUGRA) and minimal supersymmetric standard model (MSSM) parameter space by scanning the parameters using the darksusy package. By using the current radio observation, we managed to exclude 40 combinations of mSUGRA parameters. On the other hand, 573 combinations of MSSM parameters can be excluded by current observation.

Considering low-rank, sparse and gas-inflow effects constraints for accelerated pulmonary dynamic hyperpolarized 129Xe MRI

NASA Astrophysics Data System (ADS)

Xiao, Sa; Deng, He; Duan, Caohui; Xie, Junshuai; Zhang, Huiting; Sun, Xianping; Ye, Chaohui; Zhou, Xin

2018-05-01

Dynamic hyperpolarized (HP) 129Xe MRI is able to visualize the process of lung ventilation, which potentially provides unique information about lung physiology and pathophysiology. However, the longitudinal magnetization of HP 129Xe is nonrenewable, making it difficult to achieve high image quality while maintaining high temporal-spatial resolution in the pulmonary dynamic MRI. In this paper, we propose a new accelerated dynamic HP 129Xe MRI scheme incorporating the low-rank, sparse and gas-inflow effects (L + S + G) constraints. According to the gas-inflow effects of HP gas during the lung inspiratory process, a variable-flip-angle (VFA) strategy is designed to compensate for the rapid attenuation of the magnetization. After undersampling k-space data, an effective reconstruction algorithm considering the low-rank, sparse and gas-inflow effects constraints is developed to reconstruct dynamic MR images. In this way, the temporal and spatial resolution of dynamic MR images is improved and the artifacts are lessened. Simulation and in vivo experiments implemented on the phantom and healthy volunteers demonstrate that the proposed method is not only feasible and effective to compensate for the decay of the magnetization, but also has a significant improvement compared with the conventional reconstruction algorithms (P-values are less than 0.05). This confirms the superior performance of the proposed designs and their ability to maintain high quality and temporal-spatial resolution.

Uniqueness of Petrov Type D Spatially Inhomogeneous Irrotational Silent Models

NASA Astrophysics Data System (ADS)

Apostolopoulos, Pantelis S.; Carot, Jaume

The consistency of the constraint with the evolution equations for spatially inhomogeneous and irrotational silent (SIIS) models of Petrov type I, demands that the former are preserved along the timelike congruence represented by the velocity of the dust fluid, leading to new nontrivial constraints. This fact has been used to conjecture that the resulting models correspond to the spatially homogeneous (SH) models of Bianchi type I, at least for the case where the cosmological constant vanish. By exploiting the full set of the constraint equations as expressed in the 1+3 covariant formalism and using elements from the theory of the spacelike congruences, we provide a direct and simple proof of this conjecture for vacuum and dust fluid models, which shows that the Szekeres family of solutions represents the most general class of SIIS models. The suggested procedure also shows that, the uniqueness of the SIIS of the Petrov type D is not, in general, affected by the presence of a nonzero pressure fluid. Therefore, in order to allow a broader class of Petrov type I solutions apart from the SH models of Bianchi type I, one should consider more general "silent" configurations by relaxing the vanishing of the vorticity and the magnetic part of the Weyl tensor but maintaining their "silence" properties, i.e. the vanishing of the curls of Eab, Hab and the pressure p.

Spatial and temporal coherence in perceptual binding

PubMed Central

Blake, Randolph; Yang, Yuede

1997-01-01

Component visual features of objects are registered by distributed patterns of activity among neurons comprising multiple pathways and visual areas. How these distributed patterns of activity give rise to unified representations of objects remains unresolved, although one recent, controversial view posits temporal coherence of neural activity as a binding agent. Motivated by the possible role of temporal coherence in feature binding, we devised a novel psychophysical task that requires the detection of temporal coherence among features comprising complex visual images. Results show that human observers can more easily detect synchronized patterns of temporal contrast modulation within hybrid visual images composed of two components when those components are drawn from the same original picture. Evidently, time-varying changes within spatially coherent features produce more salient neural signals. PMID:9192701

Relative Packing Groups in Template-Based Structure Prediction: Cooperative Effects of True Positive Constraints

PubMed Central

Day, Ryan; Qu, Xiaotao; Swanson, Rosemarie; Bohannan, Zach; Bliss, Robert

2011-01-01

Abstract Most current template-based structure prediction methods concentrate on finding the correct backbone conformation and then packing sidechains within that backbone. Our packing-based method derives distance constraints from conserved relative packing groups (RPGs). In our refinement approach, the RPGs provide a level of resolution that restrains global topology while allowing conformational sampling. In this study, we test our template-based structure prediction method using 51 prediction units from CASP7 experiments. RPG-based constraints are able to substantially improve approximately two-thirds of starting templates. Upon deeper investigation, we find that true positive spatial constraints, especially those non-local in sequence, derived from the RPGs were important to building nearer native models. Surprisingly, the fraction of incorrect or false positive constraints does not strongly influence the quality of the final candidate. This result indicates that our RPG-based true positive constraints sample the self-consistent, cooperative interactions of the native structure. The lack of such reinforcing cooperativity explains the weaker effect of false positive constraints. Generally, these findings are encouraging indications that RPGs will improve template-based structure prediction. PMID:21210729

Swarm Intelligence for Urban Dynamics Modelling

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

Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gerard H. E.

2009-04-16

In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

Swarm Intelligence for Urban Dynamics Modelling

NASA Astrophysics Data System (ADS)

Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gérard H. E.

2009-04-01

In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

Estimating true instead of apparent survival using spatial Cormack-Jolly-Seber models

USGS Publications Warehouse

Schaub, Michael; Royle, J. Andrew

2014-01-01

Spatial CJS models enable study of dispersal and survival independent of study design constraints such as imperfect detection and size of the study area provided that some of the dispersing individuals remain in the study area. We discuss possible extensions of our model: alternative dispersal models and the inclusion of covariates and of a habitat suitability map.

Unsupervised change detection of multispectral images based on spatial constraint chi-squared transform and Markov random field model

NASA Astrophysics Data System (ADS)

Shi, Aiye; Wang, Chao; Shen, Shaohong; Huang, Fengchen; Ma, Zhenli

2016-10-01

Chi-squared transform (CST), as a statistical method, can describe the difference degree between vectors. The CST-based methods operate directly on information stored in the difference image and are simple and effective methods for detecting changes in remotely sensed images that have been registered and aligned. However, the technique does not take spatial information into consideration, which leads to much noise in the result of change detection. An improved unsupervised change detection method is proposed based on spatial constraint CST (SCCST) in combination with a Markov random field (MRF) model. First, the mean and variance matrix of the difference image of bitemporal images are estimated by an iterative trimming method. In each iteration, spatial information is injected to reduce scattered changed points (also known as "salt and pepper" noise). To determine the key parameter confidence level in the SCCST method, a pseudotraining dataset is constructed to estimate the optimal value. Then, the result of SCCST, as an initial solution of change detection, is further improved by the MRF model. The experiments on simulated and real multitemporal and multispectral images indicate that the proposed method performs well in comprehensive indices compared with other methods.

Eigenvectors phase correction in inverse modal problem

NASA Astrophysics Data System (ADS)

Qiao, Guandong; Rahmatalla, Salam

2017-12-01

The solution of the inverse modal problem for the spatial parameters of mechanical and structural systems is heavily dependent on the quality of the modal parameters obtained from the experiments. While experimental and environmental noises will always exist during modal testing, the resulting modal parameters are expected to be corrupted with different levels of noise. A novel methodology is presented in this work to mitigate the errors in the eigenvectors when solving the inverse modal problem for the spatial parameters. The phases of the eigenvector component were utilized as design variables within an optimization problem that minimizes the difference between the calculated and experimental transfer functions. The equation of motion in terms of the modal and spatial parameters was used as a constraint in the optimization problem. Constraints that reserve the positive and semi-positive definiteness and the inter-connectivity of the spatial matrices were implemented using semi-definite programming. Numerical examples utilizing noisy eigenvectors with augmented Gaussian white noise of 1%, 5%, and 10% were used to demonstrate the efficacy of the proposed method. The results showed that the proposed method is superior when compared with a known method in the literature.

PolyUbiquitin Chain Linkage Topology Selects the Functions from the Underlying Binding Landscape

PubMed Central

Wang, Yong; Tang, Chun; Wang, Erkang; Wang, Jin

2014-01-01

Ubiquitin (Ub) can generate versatile molecular signals and lead to different celluar fates. The functional poly-valence of Ub is believed to be resulted from its ability to form distinct polymerized chains with eight linkage types. To provide a full picture of ubiquitin code, we explore the binding landscape of two free Ub monomers and also the functional landscapes of of all eight linkage types by theoretical modeling. Remarkably, we found that most of the compact structures of covalently connected dimeric Ub chains (diUbs) pre-exist on the binding landscape. These compact functional states were subsequently validated by corresponding linkage models. This leads to the proposal that the folding architecture of Ub monomer has encoded all functional states into its binding landscape, which is further selected by different topologies of polymeric Ub chains. Moreover, our results revealed that covalent linkage leads to symmetry breaking of interfacial interactions. We further propose that topological constraint not only limits the conformational space for effective switching between functional states, but also selects the local interactions for realizing the corresponding biological function. Therefore, the topological constraint provides a way for breaking the binding symmetry and reaching the functional specificity. The simulation results also provide several predictions that qualitatively and quantitatively consistent with experiments. Importantly, the K48 linkage model successfully predicted intermediate states. The resulting multi-state energy landscape was further employed to reconcile the seemingly contradictory experimental data on the conformational equilibrium of K48-diUb. Our results further suggest that hydrophobic interactions are dominant in the functional landscapes of K6-, K11-, K33- and K48 diUbs, while electrostatic interactions play a more important role in the functional landscapes of K27, K29, K63 and linear linkages. PMID:24992446

PolyUbiquitin chain linkage topology selects the functions from the underlying binding landscape.

PubMed

Wang, Yong; Tang, Chun; Wang, Erkang; Wang, Jin

2014-07-01

Ubiquitin (Ub) can generate versatile molecular signals and lead to different celluar fates. The functional poly-valence of Ub is believed to be resulted from its ability to form distinct polymerized chains with eight linkage types. To provide a full picture of ubiquitin code, we explore the binding landscape of two free Ub monomers and also the functional landscapes of of all eight linkage types by theoretical modeling. Remarkably, we found that most of the compact structures of covalently connected dimeric Ub chains (diUbs) pre-exist on the binding landscape. These compact functional states were subsequently validated by corresponding linkage models. This leads to the proposal that the folding architecture of Ub monomer has encoded all functional states into its binding landscape, which is further selected by different topologies of polymeric Ub chains. Moreover, our results revealed that covalent linkage leads to symmetry breaking of interfacial interactions. We further propose that topological constraint not only limits the conformational space for effective switching between functional states, but also selects the local interactions for realizing the corresponding biological function. Therefore, the topological constraint provides a way for breaking the binding symmetry and reaching the functional specificity. The simulation results also provide several predictions that qualitatively and quantitatively consistent with experiments. Importantly, the K48 linkage model successfully predicted intermediate states. The resulting multi-state energy landscape was further employed to reconcile the seemingly contradictory experimental data on the conformational equilibrium of K48-diUb. Our results further suggest that hydrophobic interactions are dominant in the functional landscapes of K6-, K11-, K33- and K48 diUbs, while electrostatic interactions play a more important role in the functional landscapes of K27, K29, K63 and linear linkages.

Spatially Resolved Sensitivity of Single-Particle Plasmon Sensors

PubMed Central

2018-01-01

The high sensitivity of localized surface plasmon resonance sensors to the local refractive index allows for the detection of single-molecule binding events. Though binding events of single objects can be detected by their induced plasmon shift, the broad distribution of observed shifts remains poorly understood. Here, we perform a single-particle study wherein single nanospheres bind to a gold nanorod, and relate the observed plasmon shift to the binding location using correlative microscopy. To achieve this we combine atomic force microscopy to determine the binding location, and single-particle spectroscopy to determine the corresponding plasmon shift. As expected, we find a larger plasmon shift for nanospheres binding at the tip of a rod compared to its sides, in good agreement with numerical calculations. However, we also find a broad distribution of shifts even for spheres that were bound at a similar location to the nanorod. Our correlative approach allows us to disentangle effects of nanoparticle dimensions and binding location, and by comparison to numerical calculations we find that the biggest contributor to this observed spread is the dispersion in nanosphere diameter. These experiments provide insight into the spatial sensitivity and signal-heterogeneity of single-particle plasmon sensors and provides a framework for signal interpretation in sensing applications. PMID:29520315

Dynamics simulations for engineering macromolecular interactions

PubMed Central

Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A.; Way, Jeffrey

2013-01-01

The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20 000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could simultaneously bind to distinct cell-surface receptors, and explored the landscape of linker lengths and stiffnesses that could enhance receptor binding of one ligand when the other ligand has already bound to its receptor, thus, addressing potential mechanisms for improving targeted signal transduction proteins. These specific results have implications for the design of targeted fusion proteins and artificial transcription factors involving fusion of natural domains. More broadly, the simulation framework described here could be extended to include more detailed system features such as non-spherical protein shapes and electrostatics, without requiring detailed, computationally expensive specifications. This framework should be useful in predicting behavior of engineered protein systems including binding and dissociation reactions. PMID:23822508

MinD-dependent conformational changes in MinE required for the Min oscillator to spatially regulate cytokinesis

PubMed Central

Park, Kyung-Tae; Wu, Wei; Battaile, Kevin P.; Lovell, Scott; Holyoak, Todd; Lutkenhaus, Joe

2011-01-01

Summary MinD recruits MinE to the membrane leading to a coupled oscillation required for spatial regulation of the cytokinetic Z ring in E. coli. How these proteins interact, however, is not clear since the MinD binding regions of MinE are sequestered within a 6-stranded β-sheet and masked by N-terminal helices. Here, minE mutations are isolated that restore interaction to some MinD and MinE mutants. These mutations alter the MinE structure releasing the MinD binding regions and N-terminal helices that bind MinD and the membrane, respectively. Crystallization of MinD-MinE complexes reveals a 4-stranded β-sheet MinE dimer with the released β strands (MinD binding regions) converted to α-helices bound to MinD dimers. These results suggest a 6 stranded, β-sheet dimer of MinE ‘senses’ MinD and switches to a 4-stranded β-sheet dimer that binds MinD and contributes to membrane binding. Also, the results indicate how MinE persists at the MinD-membrane surface. PMID:21816275

What's in a "face file"? Feature binding with facial identity, emotion, and gaze direction.

PubMed

Fitousi, Daniel

2017-07-01

A series of four experiments investigated the binding of facial (i.e., facial identity, emotion, and gaze direction) and non-facial (i.e., spatial location and response location) attributes. Evidence for the creation and retrieval of temporary memory face structures across perception and action has been adduced. These episodic structures-dubbed herein "face files"-consisted of both visuo-visuo and visuo-motor bindings. Feature binding was indicated by partial-repetition costs. That is repeating a combination of facial features or altering them altogether, led to faster responses than repeating or alternating only one of the features. Taken together, the results indicate that: (a) "face files" affect both action and perception mechanisms, (b) binding can take place with facial dimensions and is not restricted to low-level features (Hommel, Visual Cognition 5:183-216, 1998), and (c) the binding of facial and non-facial attributes is facilitated if the dimensions share common spatial or motor codes. The theoretical contributions of these results to "person construal" theories (Freeman, & Ambady, Psychological Science, 20(10), 1183-1188, 2011), as well as to face recognition models (Haxby, Hoffman, & Gobbini, Biological Psychiatry, 51(1), 59-67, 2000) are discussed.

Constraints on backreaction in dust universes

NASA Astrophysics Data System (ADS)

Räsänen, Syksy

2006-03-01

We study backreaction in dust universes using exact equations which do not rely on perturbation theory, concentrating on theoretical and observational constraints. In particular, we discuss the recent suggestion (Kolb et al 2005 Preprint hep-th/0503117) that superhorizon perturbations could explain present-day accelerated expansion as a useful example which can be ruled out. We note that a backreaction explanation of late-time acceleration will have to involve spatial curvature and subhorizon perturbations.

Silver (I) as DNA glue: Ag+-mediated guanine pairing revealed by removing Watson-Crick constraints

PubMed Central

Swasey, Steven M.; Leal, Leonardo Espinosa; Lopez-Acevedo, Olga; Pavlovich, James; Gwinn, Elisabeth G.

2015-01-01

Metal ion interactions with DNA have far-reaching implications in biochemistry and DNA nanotechnology. Ag+ is uniquely interesting because it binds exclusively to the bases rather than the backbone of DNA, without the toxicity of Hg2+. In contrast to prior studies of Ag+ incorporation into double-stranded DNA, we remove the constraints of Watson-Crick pairing by focusing on homo-base DNA oligomers of the canonical bases. High resolution electro-spray ionization mass spectrometry reveals an unanticipated Ag+-mediated pairing of guanine homo-base strands, with higher stability than canonical guanine-cytosine pairing. By exploring unrestricted binding geometries, quantum chemical calculations find that Ag+ bridges between non-canonical sites on guanine bases. Circular dichroism spectroscopy shows that the Ag+-mediated structuring of guanine homobase strands persists to at least 90 °C under conditions for which canonical guanine-cytosine duplexes melt below 20 °C. These findings are promising for DNA nanotechnology and metal-ion based biomedical science. PMID:25973536

Silver (I) as DNA glue: Ag(+)-mediated guanine pairing revealed by removing Watson-Crick constraints.

PubMed

Swasey, Steven M; Leal, Leonardo Espinosa; Lopez-Acevedo, Olga; Pavlovich, James; Gwinn, Elisabeth G

2015-05-14

Metal ion interactions with DNA have far-reaching implications in biochemistry and DNA nanotechnology. Ag(+) is uniquely interesting because it binds exclusively to the bases rather than the backbone of DNA, without the toxicity of Hg(2+). In contrast to prior studies of Ag(+) incorporation into double-stranded DNA, we remove the constraints of Watson-Crick pairing by focusing on homo-base DNA oligomers of the canonical bases. High resolution electro-spray ionization mass spectrometry reveals an unanticipated Ag(+)-mediated pairing of guanine homo-base strands, with higher stability than canonical guanine-cytosine pairing. By exploring unrestricted binding geometries, quantum chemical calculations find that Ag(+) bridges between non-canonical sites on guanine bases. Circular dichroism spectroscopy shows that the Ag(+)-mediated structuring of guanine homobase strands persists to at least 90 °C under conditions for which canonical guanine-cytosine duplexes melt below 20 °C. These findings are promising for DNA nanotechnology and metal-ion based biomedical science.

A joint global carbon inversion system using both CO2 and 13CO2 atmospheric concentration data

NASA Astrophysics Data System (ADS)

Chen, Jing M.; Mo, Gang; Deng, Feng

2017-03-01

Observations of 13CO2 at 73 sites compiled in the GLOBALVIEW database are used for an additional constraint in a global atmospheric inversion of the surface CO2 flux using CO2 observations at 210 sites (62 collocated with 13CO2 sites) for the 2002-2004 period for 39 land regions and 11 ocean regions. This constraint is implemented using prior CO2 fluxes estimated with a terrestrial ecosystem model and an ocean model. These models simulate 13CO2 discrimination rates of terrestrial photosynthesis and ocean-atmosphere diffusion processes. In both models, the 13CO2 disequilibrium between fluxes to and from the atmosphere is considered due to the historical change in atmospheric 13CO2 concentration. This joint inversion system using both13CO2 and CO2 observations is effectively a double deconvolution system with consideration of the spatial variations of isotopic discrimination and disequilibrium. Compared to the CO2-only inversion, this 13CO2 constraint on the inversion considerably reduces the total land carbon sink from 3.40 ± 0.84 to 2.53 ± 0.93 Pg C year-1 but increases the total oceanic carbon sink from 1.48 ± 0.40 to 2.36 ± 0.49 Pg C year-1. This constraint also changes the spatial distribution of the carbon sink. The largest sink increase occurs in the Amazon, while the largest source increases are in southern Africa, and Asia, where CO2 data are sparse. Through a case study, in which the spatial distribution of the annual 13CO2 discrimination rate over land is ignored by treating it as a constant at the global average of -14. 1 ‰, the spatial distribution of the inverted CO2 flux over land was found to be significantly modified (up to 15 % for some regions). The uncertainties in our disequilibrium flux estimation are 8.0 and 12.7 Pg C year-1 ‰ for land and ocean, respectively. These uncertainties induced the unpredictability of 0.47 and 0.54 Pg C year-1 in the inverted CO2 fluxes for land and ocean, respectively. Our joint inversion system is therefore useful for improving the partitioning between ocean and land sinks and the spatial distribution of the inverted carbon flux.

The Purine Bias of Coding Sequences is Determined by Physicochemical Constraints on Proteins.

PubMed

Ponce de Leon, Miguel; de Miranda, Antonio Basilio; Alvarez-Valin, Fernando; Carels, Nicolas

2014-01-01

For this report, we analyzed protein secondary structures in relation to the statistics of three nucleotide codon positions. The purpose of this investigation was to find which properties of the ribosome, tRNA or protein level, could explain the purine bias (Rrr) as it is observed in coding DNA. We found that the Rrr pattern is the consequence of a regularity (the codon structure) resulting from physicochemical constraints on proteins and thermodynamic constraints on ribosomal machinery. The physicochemical constraints on proteins mainly come from the hydropathy and molecular weight (MW) of secondary structures as well as the energy cost of amino acid synthesis. These constraints appear through a network of statistical correlations, such as (i) the cost of amino acid synthesis, which is in favor of a higher level of guanine in the first codon position, (ii) the constructive contribution of hydropathy alternation in proteins, (iii) the spatial organization of secondary structure in proteins according to solvent accessibility, (iv) the spatial organization of secondary structure according to amino acid hydropathy, (v) the statistical correlation of MW with protein secondary structures and their overall hydropathy, (vi) the statistical correlation of thymine in the second codon position with hydropathy and the energy cost of amino acid synthesis, and (vii) the statistical correlation of adenine in the second codon position with amino acid complexity and the MW of secondary protein structures. Amino acid physicochemical properties and functional constraints on proteins constitute a code that is translated into a purine bias within the coding DNA via tRNAs. In that sense, the Rrr pattern within coding DNA is the effect of information transfer on nucleotide composition from protein to DNA by selection according to the codon positions. Thus, coding DNA structure and ribosomal machinery co-evolved to minimize the energy cost of protein coding given the functional constraints on proteins.

Modeling Multivalent Ligand-Receptor Interactions with Steric Constraints on Configurations of Cell-Surface Receptor Aggregates

PubMed Central

Monine, Michael I.; Posner, Richard G.; Savage, Paul B.; Faeder, James R.; Hlavacek, William S.

2010-01-01

Abstract We use flow cytometry to characterize equilibrium binding of a fluorophore-labeled trivalent model antigen to bivalent IgE-FcεRI complexes on RBL cells. We find that flow cytometric measurements are consistent with an equilibrium model for ligand-receptor binding in which binding sites are assumed to be equivalent and ligand-induced receptor aggregates are assumed to be acyclic. However, this model predicts extensive receptor aggregation at antigen concentrations that yield strong cellular secretory responses, which is inconsistent with the expectation that large receptor aggregates should inhibit such responses. To investigate possible explanations for this discrepancy, we evaluate four rule-based models for interaction of a trivalent ligand with a bivalent cell-surface receptor that relax simplifying assumptions of the equilibrium model. These models are simulated using a rule-based kinetic Monte Carlo approach to investigate the kinetics of ligand-induced receptor aggregation and to study how the kinetics and equilibria of ligand-receptor interaction are affected by steric constraints on receptor aggregate configurations and by the formation of cyclic receptor aggregates. The results suggest that formation of linear chains of cyclic receptor dimers may be important for generating secretory signals. Steric effects that limit receptor aggregation and transient formation of small receptor aggregates may also be important. PMID:20085718

Multicontrast reconstruction using compressed sensing with low rank and spatially varying edge-preserving constraints for high-resolution MR characterization of myocardial infarction.

PubMed

Zhang, Li; Athavale, Prashant; Pop, Mihaela; Wright, Graham A

2017-08-01

To enable robust reconstruction for highly accelerated three-dimensional multicontrast late enhancement imaging to provide improved MR characterization of myocardial infarction with isotropic high spatial resolution. A new method using compressed sensing with low rank and spatially varying edge-preserving constraints (CS-LASER) is proposed to improve the reconstruction of fine image details from highly undersampled data. CS-LASER leverages the low rank feature of the multicontrast volume series in MR relaxation and integrates spatially varying edge preservation into the explicit low rank constrained compressed sensing framework using weighted total variation. With an orthogonal temporal basis pre-estimated, a multiscale iterative reconstruction framework is proposed to enable the practice of CS-LASER with spatially varying weights of appropriate accuracy. In in vivo pig studies with both retrospective and prospective undersamplings, CS-LASER preserved fine image details better and presented tissue characteristics with a higher degree of consistency with histopathology, particularly in the peri-infarct region, than an alternative technique for different acceleration rates. An isotropic resolution of 1.5 mm was achieved in vivo within a single breath-hold using the proposed techniques. Accelerated three-dimensional multicontrast late enhancement with CS-LASER can achieve improved MR characterization of myocardial infarction with high spatial resolution. Magn Reson Med 78:598-610, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Ligand binding to WW tandem domains of YAP2 transcriptional regulator is under negative cooperativity.

PubMed

Schuchardt, Brett J; Mikles, David C; Hoang, Lawrence M; Bhat, Vikas; McDonald, Caleb B; Sudol, Marius; Farooq, Amjad

2014-12-01

YES-associated protein 2 (YAP2) transcriptional regulator drives a multitude of cellular processes, including the newly discovered Hippo tumor suppressor pathway, by virtue of the ability of its WW domains to bind and recruit PPXY-containing ligands to specific subcellular compartments. Herein, we employ an array of biophysical tools to investigate allosteric communication between the WW tandem domains of YAP2. Our data show that the WW tandem domains of YAP2 negatively cooperate when binding to their cognate ligands. Moreover, the molecular origin of such negative cooperativity lies in an unfavorable entropic contribution to the overall free energy relative to ligand binding to isolated WW domains. Consistent with this notion, the WW tandem domains adopt a fixed spatial orientation such that the WW1 domain curves outwards and stacks onto the binding groove of the WW2 domain, thereby sterically hindering ligand binding to both itself and its tandem partner. Although ligand binding to both WW domains disrupts such interdomain stacking interaction, they reorient themselves and adopt an alternative fixed spatial orientation in the liganded state by virtue of their ability to engage laterally so as to allow their binding grooves to point outwards and away from each other. In short, while the ability of WW tandem domains to aid ligand binding is well documented, our demonstration that they may also be subject to negative binding cooperativity represents a paradigm shift in our understanding of the molecular action of this ubiquitous family of protein modules. © 2014 FEBS.

High Structural Resolution Hydroxyl Radical Protein Footprinting Reveals an Extended Robo1-Heparin Binding Interface*

PubMed Central

Li, Zixuan; Moniz, Heather; Wang, Shuo; Ramiah, Annapoorani; Zhang, Fuming; Moremen, Kelley W.; Linhardt, Robert J.; Sharp, Joshua S.

2015-01-01

Interaction of transmembrane receptors of the Robo family and the secreted protein Slit provides important signals in the development of the central nervous system and regulation of axonal midline crossing. Heparan sulfate, a sulfated linear polysaccharide modified in a complex variety of ways, serves as an essential co-receptor in Slit-Robo signaling. Previous studies have shown that closely related heparin octasaccharides bind to Drosophila Robo directly, and surface plasmon resonance analysis revealed that Robo1 binds more tightly to full-length unfractionated heparin. For the first time, we utilized electron transfer dissociation-based high spatial resolution hydroxyl radical protein footprinting to identify two separate binding sites for heparin interaction with Robo1: one binding site at the previously identified site for heparin dp8 and a second binding site at the N terminus of Robo1 that is disordered in the x-ray crystal structure. Mutagenesis of the identified N-terminal binding site exhibited a decrease in binding affinity as measured by surface plasmon resonance and heparin affinity chromatography. Footprinting also indicated that heparin binding induces a minor change in the conformation and/or dynamics of the Ig2 domain, but no major conformational changes were detected. These results indicate a second low affinity binding site in the Robo-Slit complex as well as suggesting the role of the Ig2 domain of Robo1 in heparin-mediated signal transduction. This study also marks the first use of electron transfer dissociation-based high spatial resolution hydroxyl radical protein footprinting, which shows great utility for the characterization of protein-carbohydrate complexes. PMID:25752613

Spatial separation and entanglement of identical particles

NASA Astrophysics Data System (ADS)

Cunden, Fabio Deelan; di Martino, Sara; Facchi, Paolo; Florio, Giuseppe

2014-04-01

We reconsider the effect of indistinguishability on the reduced density operator of the internal degrees of freedom (tracing out the spatial degrees of freedom) for a quantum system composed of identical particles located in different spatial regions. We explicitly show that if the spin measurements are performed in disjoint spatial regions then there are no constraints on the structure of the reduced state of the system. This implies that the statistics of identical particles has no role from the point of view of separability and entanglement when the measurements are spatially separated. We extend the treatment to the case of n particles and show the connection with some recent criteria for separability based on subalgebras of observables.

Multi-Resolution Analysis of MODIS and ASTER Satellite Data for Water Classification

DTIC Science & Technology

2006-09-01

spectral bands, but also with different pixel resolutions . The overall goal... the total water surface. Due to the constraint that high spatial resolution satellite images are low temporal resolution , one needs a reliable method...at 15 m resolution , were processed. We used MODIS reflectance data from MOD02 Level 1B data. Even the spatial resolution of the 1240 nm

Simulation of atmospheric N2O with GEOS-Chem and its adjoint: evaluation of observational constraints

NASA Astrophysics Data System (ADS)

Wells, K. C.; Millet, D. B.; Bousserez, N.; Henze, D. K.; Chaliyakunnel, S.; Griffis, T. J.; Luan, Y.; Dlugokencky, E. J.; Prinn, R. G.; O'Doherty, S.; Weiss, R. F.; Dutton, G. S.; Elkins, J. W.; Krummel, P. B.; Langenfelds, R.; Steele, L. P.; Kort, E. A.; Wofsy, S. C.; Umezawa, T.

2015-07-01

We describe a new 4D-Var inversion framework for N2O based on the GEOS-Chem chemical transport model and its adjoint, and apply this framework in a series of observing system simulation experiments to assess how well N2O sources and sinks can be constrained by the current global observing network. The employed measurement ensemble includes approximately weekly and quasi-continuous N2O measurements (hourly averages used) from several long-term monitoring networks, N2O measurements collected from discrete air samples aboard a commercial aircraft (CARIBIC), and quasi-continuous measurements from an airborne pole-to-pole sampling campaign (HIPPO). For a two-year inversion, we find that the surface and HIPPO observations can accurately resolve a uniform bias in emissions during the first year; CARIBIC data provide a somewhat weaker constraint. Variable emission errors are much more difficult to resolve given the long lifetime of N2O, and major parts of the world lack significant constraints on the seasonal cycle of fluxes. Current observations can largely correct a global bias in the stratospheric sink of N2O if emissions are known, but do not provide information on the temporal and spatial distribution of the sink. However, for the more realistic scenario where source and sink are both uncertain, we find that simultaneously optimizing both would require unrealistically small errors in model transport. Regardless, a bias in the magnitude of the N2O sink would not affect the a posteriori N2O emissions for the two-year timescale used here, given realistic initial conditions, due to the timescale required for stratosphere-troposphere exchange (STE). The same does not apply to model errors in the rate of STE itself, which we show exerts a larger influence on the tropospheric burden of N2O than does the chemical loss rate over short (< 3 year) timescales. We use a stochastic estimate of the inverse Hessian for the inversion to evaluate the spatial resolution of emission constraints provided by the observations, and find that significant, spatially explicit constraints can be achieved in locations near and immediately upwind of surface measurements and the HIPPO flight tracks; however, these are mostly confined to North America, Europe, and Australia. None of the current observing networks are able to provide significant spatial information on tropical N2O emissions. There, averaging kernels are highly smeared spatially and extend even to the midlatitudes, so that tropical emissions risk being conflated with those elsewhere. For global inversions, therefore, the current lack of constraints on the tropics also places an important limit on our ability to understand extratropical emissions. Based on the error reduction statistics from the inverse Hessian, we characterize the atmospheric distribution of unconstrained N2O, and identify regions in and downwind of South America, Central Africa, and Southeast Asia where new surface or profile measurements would have the most value for reducing present uncertainty in the global N2O budget.

Constraint Embedding Technique for Multibody System Dynamics

NASA Technical Reports Server (NTRS)

Woo, Simon S.; Cheng, Michael K.

2011-01-01

Multibody dynamics play a critical role in simulation testbeds for space missions. There has been a considerable interest in the development of efficient computational algorithms for solving the dynamics of multibody systems. Mass matrix factorization and inversion techniques and the O(N) class of forward dynamics algorithms developed using a spatial operator algebra stand out as important breakthrough on this front. Techniques such as these provide the efficient algorithms and methods for the application and implementation of such multibody dynamics models. However, these methods are limited only to tree-topology multibody systems. Closed-chain topology systems require different techniques that are not as efficient or as broad as those for tree-topology systems. The closed-chain forward dynamics approach consists of treating the closed-chain topology as a tree-topology system subject to additional closure constraints. The resulting forward dynamics solution consists of: (a) ignoring the closure constraints and using the O(N) algorithm to solve for the free unconstrained accelerations for the system; (b) using the tree-topology solution to compute a correction force to enforce the closure constraints; and (c) correcting the unconstrained accelerations with correction accelerations resulting from the correction forces. This constraint-embedding technique shows how to use direct embedding to eliminate local closure-loops in the system and effectively convert the system back to a tree-topology system. At this point, standard tree-topology techniques can be brought to bear on the problem. The approach uses a spatial operator algebra approach to formulating the equations of motion. The operators are block-partitioned around the local body subgroups to convert them into aggregate bodies. Mass matrix operator factorization and inversion techniques are applied to the reformulated tree-topology system. Thus in essence, the new technique allows conversion of a system with closure-constraints into an equivalent tree-topology system, and thus allows one to take advantage of the host of techniques available to the latter class of systems. This technology is highly suitable for the class of multibody systems where the closure-constraints are local, i.e., where they are confined to small groupings of bodies within the system. Important examples of such local closure-constraints are constraints associated with four-bar linkages, geared motors, differential suspensions, etc. One can eliminate these closure-constraints and convert the system into a tree-topology system by embedding the constraints directly into the system dynamics and effectively replacing the body groupings with virtual aggregate bodies. Once eliminated, one can apply the well-known results and algorithms for tree-topology systems to solve the dynamics of such closed-chain system.

ReAsH/FlAsH labeling and image analysis of tetracysteine sensor proteins in cells.

PubMed

Irtegun, Sevgi; Ramdzan, Yasmin M; Mulhern, Terrence D; Hatters, Danny M

2011-08-31

Fluorescent proteins and dyes are essential tools for the study of protein trafficking, localization and function in cells. While fluorescent proteins such as green fluorescence protein (GFP) have been extensively used as fusion partners to proteins to track the properties of a protein of interest, recent developments with smaller tags enable new functionalities of proteins to be examined in cells such as conformational change and protein-association. One small tag system involves a tetracysteine motif (CCXXCC) genetically inserted into a target protein, which binds to biarsenical dyes, ReAsH (red fluorescent) and FlAsH (green fluorescent), with high specificity even in live cells. The TC/biarsenical dye system offers far less steric constraints to the host protein than fluorescent proteins which has enabled several new approaches to measure conformational change and protein-protein interactions. We recently developed a novel application of TC tags as sensors of oligomerization in cells expressing mutant huntingtin, which when mutated aggregates in neurons in Huntington disease. Huntingtin was tagged with two fluorescent dyes, one a fluorescent protein to track protein location, and the second a TC tag which only binds biarsenical dyes in monomers. Hence, changes in colocalization between protein and biarsenical dye reactivity enabled submicroscopic oligomer content to be spatially mapped within cells. Here, we describe how to label TC-tagged proteins fused to a fluorescent protein (Cherry, GFP or CFP) with FlAsH or ReAsH in live mammalian cells and how to quantify the two color fluorescence (Cherry/FlAsH, CFP/FlAsH or GFP/ReAsH combinations).

Geocoronal Imaging from the Deep Space Gateway

NASA Astrophysics Data System (ADS)

Waldrop, L.; Immel, T.; Clarke, J.; Fillingim, M.; Rider, K.; Qin, J.; Bhattacharyya, D.; Doe, R.

2018-02-01

UV imaging of geocoronal emission at high spatial and temporal resolution from deep space would provide crucial new constraints on global exospheric structure and dynamics, significantly advancing models of space weather and atmospheric escape.

RSS Fingerprint Based Indoor Localization Using Sparse Representation with Spatio-Temporal Constraint

PubMed Central

Piao, Xinglin; Zhang, Yong; Li, Tingshu; Hu, Yongli; Liu, Hao; Zhang, Ke; Ge, Yun

2016-01-01

The Received Signal Strength (RSS) fingerprint-based indoor localization is an important research topic in wireless network communications. Most current RSS fingerprint-based indoor localization methods do not explore and utilize the spatial or temporal correlation existing in fingerprint data and measurement data, which is helpful for improving localization accuracy. In this paper, we propose an RSS fingerprint-based indoor localization method by integrating the spatio-temporal constraints into the sparse representation model. The proposed model utilizes the inherent spatial correlation of fingerprint data in the fingerprint matching and uses the temporal continuity of the RSS measurement data in the localization phase. Experiments on the simulated data and the localization tests in the real scenes show that the proposed method improves the localization accuracy and stability effectively compared with state-of-the-art indoor localization methods. PMID:27827882

On spatial spillover in feedforward and feedback noise control

NASA Astrophysics Data System (ADS)

Xie, Antai; Bernstein, Dennis

2017-03-01

Active feedback noise control for rejecting broadband disturbances must contend with the Bode integral constraint, which implies that suppression over some frequency range gives rise to amplification over another range at the performance microphone. This is called spectral spillover. The present paper deals with spatial spillover, which refers to the amplification of noise at locations where no microphone is located. A spatial spillover function is defined, which is valid for both feedforward and feedback control with scalar and vector control inputs. This function is numerically analyzed and measured experimentally. Obstructions are introduced in the acoustic space to investigate their effect on spatial spillover.

BiP clustering facilitates protein folding in the endoplasmic reticulum.

PubMed

Griesemer, Marc; Young, Carissa; Robinson, Anne S; Petzold, Linda

2014-07-01

The chaperone BiP participates in several regulatory processes within the endoplasmic reticulum (ER): translocation, protein folding, and ER-associated degradation. To facilitate protein folding, a cooperative mechanism known as entropic pulling has been proposed to demonstrate the molecular-level understanding of how multiple BiP molecules bind to nascent and unfolded proteins. Recently, experimental evidence revealed the spatial heterogeneity of BiP within the nuclear and peripheral ER of S. cerevisiae (commonly referred to as 'clusters'). Here, we developed a model to evaluate the potential advantages of accounting for multiple BiP molecules binding to peptides, while proposing that BiP's spatial heterogeneity may enhance protein folding and maturation. Scenarios were simulated to gauge the effectiveness of binding multiple chaperone molecules to peptides. Using two metrics: folding efficiency and chaperone cost, we determined that the single binding site model achieves a higher efficiency than models characterized by multiple binding sites, in the absence of cooperativity. Due to entropic pulling, however, multiple chaperones perform in concert to facilitate the resolubilization and ultimate yield of folded proteins. As a result of cooperativity, multiple binding site models used fewer BiP molecules and maintained a higher folding efficiency than the single binding site model. These insilico investigations reveal that clusters of BiP molecules bound to unfolded proteins may enhance folding efficiency through cooperative action via entropic pulling.

DFT-based ranking of zinc-binding groups in histone deacetylase inhibitors.

PubMed

Vanommeslaeghe, K; Loverix, S; Geerlings, P; Tourwé, D

2005-11-01

Histone deacetylases (HDACs) have recently attracted considerable interest as targets in the treatment of cell proliferative diseases such as cancer. In the present work, a general framework is proposed for chemical groups that bind into the HDAC catalytic core. Based on this framework, a series of groups was selected for further investigation. A method was developed to rank the HDAC inhibitory potential of these moieties at the B3LYP/6-31G* level, making use of extra diffuse functions and of the PCM solvation model where appropriate. The resulting binding geometries indicate that very stringent constraints should be satisfied in order to have bidental zinc chelation, and even more so to have a strong binding affinity, which makes it difficult to predict the binding mode and affinity of such zinc-binding groups. The chemical hardness and the pK(a) were identified as important criteria for the binding affinity. Also, the hydrophilicity may have a direct influence on the binding affinity. The calculated binding energies were qualitatively validated with experimental results from the literature, and were shown to be meaningful for the purpose of ranking. Additionally, the insights gained from the present work may be useful for increasing the accuracy of QSAR models by providing a rational basis for selecting descriptors.

When Spatial and Temporal Contiguities Help the Integration in Working Memory: "A Multimedia Learning" Approach

ERIC Educational Resources Information Center

Mammarella, Nicola; Fairfield, Beth; Di Domenico, Alberto

2013-01-01

Two experiments examined the effects of spatial and temporal contiguities in a working memory binding task that required participants to remember coloured objects. In Experiment 1, a black and white drawing and a corresponding phrase that indicated its colour perceptually were either near or far (spatial study condition), while in Experiment 2,…

Chronic Enhancement of CREB Activity in the Hippocampus Interferes with the Retrieval of Spatial Information

ERIC Educational Resources Information Center

Viosca, Jose; Malleret, Gael; Bourtchouladze, Rusiko; Benito, Eva; Vronskava, Svetlana; Kandel, Eric R.; Barco, Angel

2009-01-01

The activation of cAMP-responsive element-binding protein (CREB)-dependent gene expression is thought to be critical for the formation of different types of long-term memory. To explore the consequences of chronic enhancement of CREB function on spatial memory in mammals, we examined spatial navigation in bitransgenic mice that express in a…

Feature integration and spatial attention: common processes for endogenous and exogenous orienting.

PubMed

Henderickx, David; Maetens, Kathleen; Soetens, Eric

2010-05-01

Briand (J Exp Psychol Hum Percept Perform 24:1243-1256, 1998) and Briand and Klein (J Exp Psychol Hum Percept Perform 13:228-241, 1987) demonstrated that spatial cueing effects are larger for detecting conjunction of features than for detecting simple features when spatial attention is oriented exogenously, and not when attention is oriented endogenously. Their results were interpreted as if only exogenous attention affects the posterior spatial attention system that performs the feature binding function attributed to spatial attention by Treisman's feature integration theory (FIT; 1980). In a series of 6 experiments, we attempted to replicate Briand's findings. Manipulations of distractor string size and symmetry of stimulus presentation left and right from fixation were implemented in Posner's cueing paradigm. The data indicate that both exogenous and endogenous cueing address the same attentional mechanism needed for feature binding. The results also limit the generalisability of Briand's proposal concerning the role of exogenous attention in feature integration. Furthermore, the importance to control the effect of unintended attentional capture in a cueing task is demonstrated.

The algebra of supertraces for 2+1 super de Sitter gravity

NASA Technical Reports Server (NTRS)

Urrutia, L. F.; Waelbroeck, H.; Zertuche, F.

1993-01-01

The algebra of the observables for 2+1 super de Sitter gravity, for one genus of the spatial surface is calculated. The algebra turns out to be an infinite Lie algebra subject to non-linear constraints. The constraints are solved explicitly in terms of five independent complex supertraces. These variables are the true degrees of freedom of the system and their quantized algebra generates a new structure which is referred to as a 'central extension' of the quantum algebra SU(2)q.

Estimating the volume of glacial ice on Mars: Geographic and geometric constraints on concentric crater fill, lineated valley fill, and lobate debris aprons along the Martian dichotomy boundary

NASA Astrophysics Data System (ADS)

Fassett, C.; Levy, J.; Head, J.

2013-09-01

Landforms inferred to have formed from glacial processes are abundant on Mars and include features such as concentric crater fill (CCF), lobate debris aprons (LDA), and lineated valley fill (LVF). Here, we present new mapping of the spatial extent of these landforms derived from CTX and THEMIS VIS image data, and new geometric constraints on the volume of glaciogenic fill material present in concentric crater fill deposits.

Least-Squares Deconvolution of Compton Telescope Data with the Positivity Constraint

NASA Technical Reports Server (NTRS)

Wheaton, William A.; Dixon, David D.; Tumer, O. Tumay; Zych, Allen D.

1993-01-01

We describe a Direct Linear Algebraic Deconvolution (DLAD) approach to imaging of data from Compton gamma-ray telescopes. Imposition of the additional physical constraint, that all components of the model be non-negative, has been found to have a powerful effect in stabilizing the results, giving spatial resolution at or near the instrumental limit. A companion paper (Dixon et al. 1993) presents preliminary images of the Crab Nebula region using data from COMPTEL on the Compton Gamma-Ray Observatory.

Ambiguities and conventions in the perception of visual art.

PubMed

Mamassian, Pascal

2008-09-01

Vision perception is ambiguous and visual arts play with these ambiguities. While perceptual ambiguities are resolved with prior constraints, artistic ambiguities are resolved by conventions. Is there a relationship between priors and conventions? This review surveys recent work related to these ambiguities in composition, spatial scale, illumination and color, three-dimensional layout, shape, and movement. While most conventions seem to have their roots in perceptual constraints, those conventions that differ from priors may help us appreciate how visual arts differ from everyday perception.

An Improved Variational Method for Hyperspectral Image Pansharpening with the Constraint of Spectral Difference Minimization

NASA Astrophysics Data System (ADS)

Huang, Z.; Chen, Q.; Shen, Y.; Chen, Q.; Liu, X.

2017-09-01

Variational pansharpening can enhance the spatial resolution of a hyperspectral (HS) image using a high-resolution panchromatic (PAN) image. However, this technology may lead to spectral distortion that obviously affect the accuracy of data analysis. In this article, we propose an improved variational method for HS image pansharpening with the constraint of spectral difference minimization. We extend the energy function of the classic variational pansharpening method by adding a new spectral fidelity term. This fidelity term is designed following the definition of spectral angle mapper, which means that for every pixel, the spectral difference value of any two bands in the HS image is in equal proportion to that of the two corresponding bands in the pansharpened image. Gradient descent method is adopted to find the optimal solution of the modified energy function, and the pansharpened image can be reconstructed. Experimental results demonstrate that the constraint of spectral difference minimization is able to preserve the original spectral information well in HS images, and reduce the spectral distortion effectively. Compared to original variational method, our method performs better in both visual and quantitative evaluation, and achieves a good trade-off between spatial and spectral information.

Design of coupled mace filters for optical pattern recognition using practical spatial light modulators

NASA Technical Reports Server (NTRS)

Rajan, P. K.; Khan, Ajmal

1993-01-01

Spatial light modulators (SLMs) are being used in correlation-based optical pattern recognition systems to implement the Fourier domain filters. Currently available SLMs have certain limitations with respect to the realizability of these filters. Therefore, it is necessary to incorporate the SLM constraints in the design of the filters. The design of a SLM-constrained minimum average correlation energy (SLM-MACE) filter using the simulated annealing-based optimization technique was investigated. The SLM-MACE filter was synthesized for three different types of constraints. The performance of the filter was evaluated in terms of its recognition (discrimination) capabilities using computer simulations. The correlation plane characteristics of the SLM-MACE filter were found to be reasonably good. The SLM-MACE filter yielded far better results than the analytical MACE filter implemented on practical SLMs using the constrained magnitude technique. Further, the filter performance was evaluated in the presence of noise in the input test images. This work demonstrated the need to include the SLM constraints in the filter design. Finally, a method is suggested to reduce the computation time required for the synthesis of the SLM-MACE filter.

[Addictions: Motivated or forced care].

PubMed

Cottencin, Olivier; Bence, Camille

2016-12-01

Patients presenting with addictions are often obliged to consult. This constraint can be explicit (partner, children, parents, doctor, police, justice) or can be implicit (for their children, for their families, or for their health). Thus, beyond the fact that the caregiver faces the paradox of caring for subjects who do not ask treatment, he faces as well a double bind considered to be supporter of the social order or helper of patients. The transtheoretical model of change is complex showing us that it was neither fixed in time, nor perpetual for a given individual. This model includes ambivalence, resistance and even relapse, but it still considers constraint as a brake than an effective tool. Therapist must have adequate communication tools to enable everyone (forced or not) understand that involvement in care will enable him/her to regain his free will, even though it took to go through coercion. We propose in this article to detail the first steps with the patient presenting with addiction looking for constraint (implicit or explicit), how to work with constraint, avoid making resistances ourselves and make of constraint a powerful motivator for change. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Object-Location Memory: A Lesion-Behavior Mapping Study in Stroke Patients

ERIC Educational Resources Information Center

van Asselen, Marieke; Kessels, Roy P. C.; Frijns, Catharina J. M.; Kappelle, L. Jaap; Neggers, Sebastiaan F. W.; Postma, Albert

2009-01-01

Object-location memory is an important form of spatial memory, comprising different subcomponents that each process specific types of information within memory, i.e. remembering objects, remembering positions and binding these features in memory. In the current study we investigated the neural correlates of binding categorical (relative) or…

Building a Pre-Competitive Knowledge Base to Support Australia's Wave Energy Industry

NASA Astrophysics Data System (ADS)

Hoeke, R. K.; Hemer, M. A.; Symonds, G.; Rosebrock, U.; Kenyon, R.; Zieger, S.; Durrant, T.; Contardo, S.; O'Grady, J.; Mcinnes, K. L.

2016-02-01

A pre-competitive, query-able and openly available spatio-temporal atlas of Australia's wind-wave energy resource and marine management uses is being delivered. To provide the best representation of wave energy resource information, accounting for both spatial and temporal characteristics of the resource, a 34+yr numerical hindcast of wave conditions in the Australian region has been developed. Considerable in situ and remotely sensed data have been collected to support calibration and validation of the hindcast, resulting in a high-quality characterisation of the available wave resource in the Australian domain. Planning for wave energy projects is also subject to other spatial constraints. Spatial information on alternative uses of the marine domain including, for example, fisheries and aquaculture, oil and gas, shipping, navigation and ports, marine parks and reserves, sub-sea cables and infrastructure, shipwrecks and sites of cultural significance, have been compiled to complement the spatial characterisation of resource and support spatial planning of future wave energy projects. Both resource and spatial constraint information are being disseminated via a state-of-the-art portal, designed to meet the needs of all industry stakeholders. Another aspect currently impeding the industry in Australia is the limited evidence-base of impacts of wave energy extraction on adjacent marine and coastal environments. To build this evidence base, a network of in situ wave measurement devices have been deployed surrounding the 3 wave energy converters of Carnegie Wave Energy Limited's Perth Wave Energy Project. This data is being used to calibrate and validate numerical simulations of the project site. Early stage results will be presented.

Climate and Human Pressure Constraints Co-Explain Regional Plant Invasion at Different Spatial Scales

PubMed Central

García-Baquero, Gonzalo; Caño, Lidia; Biurrun, Idoia; García-Mijangos, Itziar; Loidi, Javier; Herrera, Mercedes

2016-01-01

Alien species invasion represents a global threat to biodiversity and ecosystems. Explaining invasion patterns in terms of environmental constraints will help us to assess invasion risks and plan control strategies. We aim to identify plant invasion patterns in the Basque Country (Spain), and to determine the effects of climate and human pressure on that pattern. We modeled the regional distribution of 89 invasive plant species using two approaches. First, distance-based Moran’s eigenvector maps were used to partition variation in the invasive species richness, S, into spatial components at broad and fine scales; redundancy analysis was then used to explain those components on the basis of climate and human pressure descriptors. Second, we used generalized additive mixed modeling to fit species-specific responses to the same descriptors. Climate and human pressure descriptors have different effects on S at different spatial scales. Broad-scale spatially structured temperature and precipitation, and fine-scale spatially structured human population density and percentage of natural and semi-natural areas, explained altogether 38.7% of the total variance. The distribution of 84% of the individually tested species was related to either temperature, precipitation or both, and 68% was related to either population density or natural and semi-natural areas, displaying similar responses. The spatial pattern of the invasive species richness is strongly environmentally forced, mainly by climate factors. Since individual species responses were proved to be both similarly constrained in shape and explained variance by the same environmental factors, we conclude that the pattern of invasive species richness results from individual species’ environmental preferences. PMID:27741276

Time-lapse joint inversion of geophysical data with automatic joint constraints and dynamic attributes

NASA Astrophysics Data System (ADS)

Rittgers, J. B.; Revil, A.; Mooney, M. A.; Karaoulis, M.; Wodajo, L.; Hickey, C. J.

2016-12-01

Joint inversion and time-lapse inversion techniques of geophysical data are often implemented in an attempt to improve imaging of complex subsurface structures and dynamic processes by minimizing negative effects of random and uncorrelated spatial and temporal noise in the data. We focus on the structural cross-gradient (SCG) approach (enforcing recovered models to exhibit similar spatial structures) in combination with time-lapse inversion constraints applied to surface-based electrical resistivity and seismic traveltime refraction data. The combination of both techniques is justified by the underlying petrophysical models. We investigate the benefits and trade-offs of SCG and time-lapse constraints. Using a synthetic case study, we show that a combined joint time-lapse inversion approach provides an overall improvement in final recovered models. Additionally, we introduce a new approach to reweighting SCG constraints based on an iteratively updated normalized ratio of model sensitivity distributions at each time-step. We refer to the new technique as the Automatic Joint Constraints (AJC) approach. The relevance of the new joint time-lapse inversion process is demonstrated on the synthetic example. Then, these approaches are applied to real time-lapse monitoring field data collected during a quarter-scale earthen embankment induced-piping failure test. The use of time-lapse joint inversion is justified by the fact that a change of porosity drives concomitant changes in seismic velocities (through its effect on the bulk and shear moduli) and resistivities (through its influence upon the formation factor). Combined with the definition of attributes (i.e. specific characteristics) of the evolving target associated with piping, our approach allows localizing the position of the preferential flow path associated with internal erosion. This is not the case using other approaches.

Two-dimensional tracking of ncd motility by back focal plane interferometry.

PubMed Central

Allersma, M W; Gittes, F; deCastro, M J; Stewart, R J; Schmidt, C F

1998-01-01

A technique for detecting the displacement of micron-sized optically trapped probes using far-field interference is introduced, theoretically explained, and used to study the motility of the ncd motor protein. Bead motions in the focal plane relative to the optical trap were detected by measuring laser intensity shifts in the back-focal plane of the microscope condenser by projection on a quadrant diode. This detection method is two-dimensional, largely independent of the position of the trap in the field of view and has approximately 10-micros time resolution. The high resolution makes it possible to apply spectral analysis to measure dynamic parameters such as local viscosity and attachment compliance. A simple quantitative theory for back-focal-plane detection was derived that shows that the laser intensity shifts are caused primarily by a far-field interference effect. The theory predicts the detector response to bead displacement, without adjustable parameters, with good accuracy. To demonstrate the potential of the method, the ATP-dependent motility of ncd, a kinesin-related motor protein, was observed with an in vitro bead assay. A fusion protein consisting of truncated ncd (amino acids 195-685) fused with glutathione-S-transferase was adsorbed to silica beads, and the axial and lateral motions of the beads along the microtubule surface were observed with high spatial and temporal resolution. The average axial velocity of the ncd-coated beads was 230 +/- 30 nm/s (average +/- SD). Spectral analysis of bead motion showed the increase in viscous drag near the surface; we also found that any elastic constraints of the moving motors are much smaller than the constraints due to binding in the presence of the nonhydrolyzable nucleotide adenylylimidodiphosphate. PMID:9533719

Differential effects of constraints in the processing of Russian cataphora.

PubMed

Kazanina, Nina; Phillips, Colin

2010-02-01

Anaphoric relations between pronouns and their antecedents are subject to a number of different linguistic constraints, which exclude the possibility of coreference in specific syntactic or discourse contexts. Constraints on anaphora may, in principle, impact online sentence processing in a couple of different ways. They may act as constraints on the generation of interpretations, preventing illicit anaphoric relations from ever being considered. Alternatively, they may act as later filters on interpretations, rejecting candidate interpretations after initial consideration. A number of previous studies have sought to determine which of these mechanisms accurately describes the online impact of constraints on anaphora. The current studies present evidence that there is no uniform answer to this question, and that the two mechanisms are both used, for different constraints. Evidence for this is drawn from studies on the processing of two constraints on backwards anaphora or cataphora in Russian that apply in superficially similar contexts but that differ in a number of respects. One self-paced reading study and two judgement studies are reported. The self-paced reading study manipulates the gender congruency between a pronoun and a following name in three pairs of conditions. In conditions where the pronoun-name configuration violates no constraints on anaphora a gender mismatch effect was observed following the name, as in previous studies, suggesting that comprehenders actively search for an antecedent following a cataphoric pronoun. In conditions where the pronoun-name configuration violates Principle C of the classical binding theory no effect of the gender manipulation was observed, suggesting that comprehenders do not even consider the possibility of interpretations that violate this constraint. In conditions where the pronoun-name configuration violates a Russian-specific constraint on cataphora a gender match effect was observed following the name, the reverse of the finding in the no-constraint conditions, suggesting that the constraint applies as a filter on candidate interpretations.

Variational stereo imaging of oceanic waves with statistical constraints.

PubMed

Gallego, Guillermo; Yezzi, Anthony; Fedele, Francesco; Benetazzo, Alvise

2013-11-01

An image processing observational technique for the stereoscopic reconstruction of the waveform of oceanic sea states is developed. The technique incorporates the enforcement of any given statistical wave law modeling the quasi-Gaussianity of oceanic waves observed in nature. The problem is posed in a variational optimization framework, where the desired waveform is obtained as the minimizer of a cost functional that combines image observations, smoothness priors and a weak statistical constraint. The minimizer is obtained by combining gradient descent and multigrid methods on the necessary optimality equations of the cost functional. Robust photometric error criteria and a spatial intensity compensation model are also developed to improve the performance of the presented image matching strategy. The weak statistical constraint is thoroughly evaluated in combination with other elements presented to reconstruct and enforce constraints on experimental stereo data, demonstrating the improvement in the estimation of the observed ocean surface.

Uncertainty management by relaxation of conflicting constraints in production process scheduling

NASA Technical Reports Server (NTRS)

Dorn, Juergen; Slany, Wolfgang; Stary, Christian

1992-01-01

Mathematical-analytical methods as used in Operations Research approaches are often insufficient for scheduling problems. This is due to three reasons: the combinatorial complexity of the search space, conflicting objectives for production optimization, and the uncertainty in the production process. Knowledge-based techniques, especially approximate reasoning and constraint relaxation, are promising ways to overcome these problems. A case study from an industrial CIM environment, namely high-grade steel production, is presented to demonstrate how knowledge-based scheduling with the desired capabilities could work. By using fuzzy set theory, the applied knowledge representation technique covers the uncertainty inherent in the problem domain. Based on this knowledge representation, a classification of jobs according to their importance is defined which is then used for the straightforward generation of a schedule. A control strategy which comprises organizational, spatial, temporal, and chemical constraints is introduced. The strategy supports the dynamic relaxation of conflicting constraints in order to improve tentative schedules.

A managerial approach to allocating indirect fixed costs in health care organizations.

PubMed

Goldschmidt, Y; Gafni, A

1990-01-01

To allocate indirect fixed costs to the different units in an organization, fixed costs of a supporting service should be charged to the factor that creates the demand for the service (using the dual-rate-charging method) and overhead costs should be charged to the binding constraint of the organization.

Integrated systems optimization model for biofuel development: The influence of environmental constraints

NASA Astrophysics Data System (ADS)

Housh, M.; Ng, T.; Cai, X.

2012-12-01

The environmental impact is one of the major concerns of biofuel development. While many other studies have examined the impact of biofuel expansion on stream flow and water quality, this study examines the problem from the other side - will and how a biofuel production target be affected by given environmental constraints. For this purpose, an integrated model comprises of different sub-systems of biofuel refineries, transportation, agriculture, water resources and crops/ethanol market has been developed. The sub-systems are integrated into one large-scale model to guide the optimal development plan considering the interdependency between the subsystems. The optimal development plan includes biofuel refineries location and capacity, refinery operation, land allocation between biofuel and food crops, and the corresponding stream flow and nitrate load in the watershed. The watershed is modeled as a network flow, in which the nodes represent sub-watersheds and the arcs are defined as the linkage between the sub-watersheds. The runoff contribution of each sub-watershed is determined based on the land cover and the water uses in that sub-watershed. Thus, decisions of other sub-systems such as the land allocation in the land use sub-system and the water use in the refinery sub-system define the sources and the sinks of the network. Environmental policies will be addressed in the integrated model by imposing stream flow and nitrate load constraints. These constraints can be specified by location and time in the watershed to reflect the spatial and temporal variation of the regulations. Preliminary results show that imposing monthly water flow constraints and yearly nitrate load constraints will change the biofuel development plan dramatically. Sensitivity analysis is performed to examine how the environmental constraints and their spatial and the temporal distribution influence the overall biofuel development plan and the performance of each of the sub-systems. Additional scenarios are analyzed to show the synergies of crop pattern choice (first versus second generation of biofuel crops), refinery technology adaptation (particularly on water use), refinery plant distribution, and economic incentives in terms of balanced environmental protection and bioenergy development objectives.

Motor-mediated Cortical versus Astral Microtubule Organization in Lipid-monolayered Droplets

PubMed Central

Baumann, Hella; Surrey, Thomas

2014-01-01

The correct spatial organization of microtubules is of crucial importance for determining the internal architecture of eukaryotic cells. Microtubules are arranged in space by a multitude of biochemical activities and by spatial constraints imposed by the cell boundary. The principles underlying the establishment of distinct intracellular architectures are only poorly understood. Here, we studied the effect of spatial confinement on the self-organization of purified motors and microtubules that are encapsulated in lipid-monolayered droplets in oil, varying in diameter from 5–100 μm, which covers the size range of typical cell bodies. We found that droplet size alone had a major organizing influence. The presence of a microtubule-crosslinking motor protein decreased the number of accessible types of microtubule organizations. Depending on the degree of spatial confinement, the presence of the motor caused either the formation of a cortical array of bent microtubule bundles or the generation of single microtubule asters in the droplets. These are two of the most prominent forms of microtubule arrangements in plant and metazoan cells. Our results provide insights into the combined organizing influence of spatial constraints and cross-linking motor activities determining distinct microtubule architectures in a minimal biomimetic system. In the future, this simple lipid-monolayered droplet system characterized here can be expanded readily to include further biochemical activities or used as the starting point for the investigation of motor-mediated microtubule organization inside liposomes surrounded by a deformable lipid bilayer. PMID:24966327

[Operative vaginal deliveries training].

PubMed

Dupuis, O

2008-12-01

The appropriate use of forceps, vacuums or spatulas facilitates the rapid delivery of foetuses faced with life-threatening situations. It also makes possible the relief of certain cases of prolonged second-stage labor. In France, operative vaginal delivery (OVD) accounts for approximately 10% of all births. OVD training aims to optimize maternal, as well as neonatal safety. It should enable trainees to indicate or contraindicate an OVD safely, as well as to choose the appropriate instrument, use it correctly, and master quality control principles. Traditional OVD training is confronted with both spatial and time-related limitations. Spatial constraints involve both the teacher and trainee who only have limited visual access to the pelvic canal, and the head of the foetus; the time constraint occurs whenever the OVD occurs in an emergency setting. These limitations have been further aggravated by new constraints: decreasing time dedicated to training (European safety rules prohibit work the day after night duty), increasing litigation, and constraints imposed by society. Training by means of simulation removes such limitations making it possible to both avoid exposing pregnant women to the hazards of traditional training, and adapt the training to the skills of each trainee. OVD training should include forceps, vacuums and the use of spatulas. The OVD skills of obstetricians should be audited regularly on both a personal and a confidential level. Such audits could be based on a method using a simulator. Prospective studies comparing traditional and simulation-based training should be encouraged.

Impact of Neutrinos on Dark Matter Halo Environment

NASA Astrophysics Data System (ADS)

Court, Travis; Villaescusa-Navarro, Francisco

2018-01-01

The spatial clustering of galaxies is commonly used to infer the shape of the matter power spectrum and therefore to place constraints on the value of the cosmological parameters. In order to extract the maximum information from galaxy surveys it is required to provide accurate theoretical predictions. The first step to model galaxy clustering is to understand the spatial distribution of the structures where they reside: dark matter halos. I will show that the clustering of halos does not depend only on mass, but on other quantities like local matter overdensity. I will point out that halo clustering is also sensitive to the local overdensity of the cosmic neutrino background. I will show that splitting halos according to neutrino overdensity induces a very large scale-dependence bias, an effect that may lead to a new technique to constraint the sum of the neutrino masses.

Investigation of antenna pattern constraints for passive geosynchronous microwave imaging radiometers

NASA Technical Reports Server (NTRS)

Gasiewski, A. J.; Skofronick, G. M.

1992-01-01

Progress by investigators at Georgia Tech in defining the requirements for large space antennas for passive microwave Earth imaging systems is reviewed. In order to determine antenna constraints (e.g., the aperture size, illumination taper, and gain uncertainty limits) necessary for the retrieval of geophysical parameters (e.g., rain rate) with adequate spatial resolution and accuracy, a numerical simulation of the passive microwave observation and retrieval process is being developed. Due to the small spatial scale of precipitation and the nonlinear relationships between precipitation parameters (e.g., rain rate, water density profile) and observed brightness temperatures, the retrieval of precipitation parameters are of primary interest in the simulation studies. Major components of the simulation are described as well as progress and plans for completion. The overall goal of providing quantitative assessments of the accuracy of candidate geosynchronous and low-Earth orbiting imaging systems will continue under a separate grant.

Data-driven modeling of solar-powered urban microgrids

PubMed Central

Halu, Arda; Scala, Antonio; Khiyami, Abdulaziz; González, Marta C.

2016-01-01

Distributed generation takes center stage in today’s rapidly changing energy landscape. Particularly, locally matching demand and generation in the form of microgrids is becoming a promising alternative to the central distribution paradigm. Infrastructure networks have long been a major focus of complex networks research with their spatial considerations. We present a systemic study of solar-powered microgrids in the urban context, obeying real hourly consumption patterns and spatial constraints of the city. We propose a microgrid model and study its citywide implementation, identifying the self-sufficiency and temporal properties of microgrids. Using a simple optimization scheme, we find microgrid configurations that result in increased resilience under cost constraints. We characterize load-related failures solving power flows in the networks, and we show the robustness behavior of urban microgrids with respect to optimization using percolation methods. Our findings hint at the existence of an optimal balance between cost and robustness in urban microgrids. PMID:26824071

Spiral Form of the Human Cochlea Results from Spatial Constraints.

PubMed

Pietsch, M; Aguirre Dávila, L; Erfurt, P; Avci, E; Lenarz, T; Kral, A

2017-08-08

The human inner ear has an intricate spiral shape often compared to shells of mollusks, particularly to the nautilus shell. It has inspired many functional hearing theories. The reasons for this complex geometry remain unresolved. We digitized 138 human cochleae at microscopic resolution and observed an astonishing interindividual variability in the shape. A 3D analytical cochlear model was developed that fits the analyzed data with high precision. The cochlear geometry neither matched a proposed function, namely sound focusing similar to a whispering gallery, nor did it have the form of a nautilus. Instead, the innate cochlear blueprint and its actual ontogenetic variants were determined by spatial constraints and resulted from an efficient packing of the cochlear duct within the petrous bone. The analytical model predicts well the individual 3D cochlear geometry from few clinical measures and represents a clinical tool for an individualized approach to neurosensory restoration with cochlear implants.

Data-driven modeling of solar-powered urban microgrids.

PubMed

Halu, Arda; Scala, Antonio; Khiyami, Abdulaziz; González, Marta C

2016-01-01

Distributed generation takes center stage in today's rapidly changing energy landscape. Particularly, locally matching demand and generation in the form of microgrids is becoming a promising alternative to the central distribution paradigm. Infrastructure networks have long been a major focus of complex networks research with their spatial considerations. We present a systemic study of solar-powered microgrids in the urban context, obeying real hourly consumption patterns and spatial constraints of the city. We propose a microgrid model and study its citywide implementation, identifying the self-sufficiency and temporal properties of microgrids. Using a simple optimization scheme, we find microgrid configurations that result in increased resilience under cost constraints. We characterize load-related failures solving power flows in the networks, and we show the robustness behavior of urban microgrids with respect to optimization using percolation methods. Our findings hint at the existence of an optimal balance between cost and robustness in urban microgrids.

Intracellular Electric Field and pH Optimize Protein Localization and Movement

PubMed Central

Cunningham, Jessica; Estrella, Veronica; Lloyd, Mark; Gillies, Robert; Frieden, B. Roy; Gatenby, Robert

2012-01-01

Mammalian cell function requires timely and accurate transmission of information from the cell membrane (CM) to the nucleus (N). These pathways have been intensively investigated and many critical components and interactions have been identified. However, the physical forces that control movement of these proteins have received scant attention. Thus, transduction pathways are typically presented schematically with little regard to spatial constraints that might affect the underlying dynamics necessary for protein-protein interactions and molecular movement from the CM to the N. We propose messenger protein localization and movements are highly regulated and governed by Coulomb interactions between: 1. A recently discovered, radially directed E-field from the NM into the CM and 2. Net protein charge determined by its isoelectric point, phosphorylation state, and the cytosolic pH. These interactions, which are widely applied in elecrophoresis, provide a previously unknown mechanism for localization of messenger proteins within the cytoplasm as well as rapid shuttling between the CM and N. Here we show these dynamics optimize the speed, accuracy and efficiency of transduction pathways even allowing measurement of the location and timing of ligand binding at the CM –previously unknown components of intracellular information flow that are, nevertheless, likely necessary for detecting spatial gradients and temporal fluctuations in ligand concentrations within the environment. The model has been applied to the RAF-MEK-ERK pathway and scaffolding protein KSR1 using computer simulations and in-vitro experiments. The computer simulations predicted distinct distributions of phosphorylated and unphosphorylated components of this transduction pathway which were experimentally confirmed in normal breast epithelial cells (HMEC). PMID:22623963

Space and Place: Recognizing Ties that Bind.

ERIC Educational Resources Information Center

Whiteford, Gary T.

1980-01-01

Suggests methods to test whether students have acquired a sense of place or spatial understanding. Knowledge of the concepts of map representation, the region, man/land notations, spatial relations, location, and scale are vital to geographic understanding. Concludes that geographic ideas should relate to particular maps. (Author/KC)

A Method to Categorize 2-Dimensional Patterns Using Statistics of Spatial Organization.

PubMed

López-Sauceda, Juan; Rueda-Contreras, Mara D

2017-01-01

We developed a measurement framework of spatial organization to categorize 2-dimensional patterns from 2 multiscalar biological architectures. We propose that underlying shapes of biological entities can be approached using the statistical concept of degrees of freedom, defining it through expansion of area variability in a pattern. To help scope this suggestion, we developed a mathematical argument recognizing the deep foundations of area variability in a polygonal pattern (spatial heterogeneity). This measure uses a parameter called eutacticity . Our measuring platform of spatial heterogeneity can assign particular ranges of distribution of spatial areas for 2 biological architectures: ecological patterns of Namibia fairy circles and epithelial sheets. The spatial organizations of our 2 analyzed biological architectures are demarcated by being in a particular position among spatial order and disorder. We suggest that this theoretical platform can give us some insights about the nature of shapes in biological systems to understand organizational constraints.

Simulation of atmospheric N2O with GEOS-Chem and its adjoint: evaluation of observational constraints

NASA Astrophysics Data System (ADS)

Wells, K. C.; Millet, D. B.; Bousserez, N.; Henze, D. K.; Chaliyakunnel, S.; Griffis, T. J.; Luan, Y.; Dlugokencky, E. J.; Prinn, R. G.; O'Doherty, S.; Weiss, R. F.; Dutton, G. S.; Elkins, J. W.; Krummel, P. B.; Langenfelds, R.; Steele, L. P.; Kort, E. A.; Wofsy, S. C.; Umezawa, T.

2015-10-01

We describe a new 4D-Var inversion framework for nitrous oxide (N2O) based on the GEOS-Chem chemical transport model and its adjoint, and apply it in a series of observing system simulation experiments to assess how well N2O sources and sinks can be constrained by the current global observing network. The employed measurement ensemble includes approximately weekly and quasi-continuous N2O measurements (hourly averages used) from several long-term monitoring networks, N2O measurements collected from discrete air samples onboard a commercial aircraft (Civil Aircraft for the Regular Investigation of the atmosphere Based on an Instrument Container; CARIBIC), and quasi-continuous measurements from the airborne HIAPER Pole-to-Pole Observations (HIPPO) campaigns. For a 2-year inversion, we find that the surface and HIPPO observations can accurately resolve a uniform bias in emissions during the first year; CARIBIC data provide a somewhat weaker constraint. Variable emission errors are much more difficult to resolve given the long lifetime of N2O, and major parts of the world lack significant constraints on the seasonal cycle of fluxes. Current observations can largely correct a global bias in the stratospheric sink of N2O if emissions are known, but do not provide information on the temporal and spatial distribution of the sink. However, for the more realistic scenario where source and sink are both uncertain, we find that simultaneously optimizing both would require unrealistically small errors in model transport. Regardless, a bias in the magnitude of the N2O sink would not affect the a posteriori N2O emissions for the 2-year timescale used here, given realistic initial conditions, due to the timescale required for stratosphere-troposphere exchange (STE). The same does not apply to model errors in the rate of STE itself, which we show exerts a larger influence on the tropospheric burden of N2O than does the chemical loss rate over short (< 3 year) timescales. We use a stochastic estimate of the inverse Hessian for the inversion to evaluate the spatial resolution of emission constraints provided by the observations, and find that significant, spatially explicit constraints can be achieved in locations near and immediately upwind of surface measurements and the HIPPO flight tracks; however, these are mostly confined to North America, Europe, and Australia. None of the current observing networks are able to provide significant spatial information on tropical N2O emissions. There, averaging kernels (describing the sensitivity of the inversion to emissions in each grid square) are highly smeared spatially and extend even to the midlatitudes, so that tropical emissions risk being conflated with those elsewhere. For global inversions, therefore, the current lack of constraints on the tropics also places an important limit on our ability to understand extratropical emissions. Based on the error reduction statistics from the inverse Hessian, we characterize the atmospheric distribution of unconstrained N2O, and identify regions in and downwind of South America, central Africa, and Southeast Asia where new surface or profile measurements would have the most value for reducing present uncertainty in the global N2O budget.

Circular dichroism study of the interaction between mutagens and bilirubin bound to different binding sites of serum albumins

NASA Astrophysics Data System (ADS)

Orlov, Sergey; Goncharova, Iryna; Urbanová, Marie

Although recent investigations have shown that bilirubin not only has a negative role in the organism but also exhibits significant antimutagenic properties, the mechanisms of interactions between bilirubin and mutagens are not clear. In this study, interaction between bilirubin bound to different binding sites of mammalian serum albumins with structural analogues of the mutagens 2-aminofluorene, 2,7-diaminofluorene and mutagen 2,4,7-trinitrofluorenone were investigated by circular dichroism and absorption spectroscopy. Homological human and bovine serum albumins were used as chiral matrices, which preferentially bind different conformers of bilirubin in the primary binding sites and make it observable by circular dichroism. These molecular systems approximated a real system for the study of mutagens in blood serum. Differences between the interaction of bilirubin bound to primary and to secondary binding sites of serum albumins with mutagens were shown. For bilirubin bound to secondary binding sites with low affinity, partial displacement and the formation of self-associates were observed in all studied mutagens. The associates of bilirubin bound to primary binding sites of serum albumins are formed with 2-aminofluorene and 2,4,7-trinitrofluorenone. It was proposed that 2,7-diaminofluorene does not interact with bilirubin bound to primary sites of human and bovine serum albumins due to the spatial hindrance of the albumins binding domains. The spatial arrangement of the bilirubin bound to serum albumin along with the studied mutagens was modelled using ligand docking, which revealed a possibility of an arrangement of the both bilirubin and 2-aminofluorene and 2,4,7-trinitrofluorenone in the primary binding site of human serum albumin.

New Multicentury Evidence for Dispersal Limitation during Primary Succession.

PubMed

Makoto, K; Wilson, Scott D

2016-06-01

Primary succession is limited by both ecosystem development and plant dispersal, but the extent to which dispersal constrains succession over the long-term is unknown. We compared primary succession along two co-occurring arctic chronosequences with contrasting spatial scales: sorted circles that span a few meters and may have few dispersal constraints and glacial forelands that span several kilometers and may have greater dispersal constraints. Dispersal constraints slowed primary succession by centuries: plots were dominated by cryptogams after 20 years on circles but after 270 years on forelands; plots supported deciduous plants after 100 years on circles but after >400 years on forelands. Our study provides century-scale evidence suggesting that dispersal limitations constrain the rate of primary succession in glacial forelands.

Spatial information is processed even when it is task-irrelevant: implications for neuroimaging task design.

PubMed

Meegan, Daniel V; Honsberger, Michael J M

2005-05-01

Many neuroimaging studies have been designed to differentiate domain-specific processes in the brain. A common design constraint is to use identical stimuli for different domain-specific tasks. For example, an experiment investigating spatial versus identity processing would present compound spatial-identity stimuli in both spatial and identity tasks, and participants would be instructed to attend to, encode, maintain, or retrieve spatial information in the spatial task, and identity information in the identity task. An assumption in such studies is that spatial information will not be processed in the identity task, as it is irrelevant for that task. We report three experiments demonstrating violations of this assumption. Our results suggest that comparisons of spatial and identity tasks in existing neuroimaging studies have underestimated the amount of brain activation that is spatial-specific. For future neuroimaging studies, we recommend unique stimulus displays for each domain-specific task, and event-related measurement of post-stimulus processing.

Attentional Modulation of Perceptual Comparison for Feature Binding

ERIC Educational Resources Information Center

Kuo, Bo-Cheng; Rotshtein, Pia; Yeh, Yei-Yu

2011-01-01

We investigated the neural correlates of attentional modulation in the perceptual comparison process for detecting feature-binding changes in an event-related functional magnetic resonance imaging (fMRI) experiment. Participants performed a variant of a cued change detection task. They viewed a memory array, a spatial retro-cue, and later a probe…

Multi-criteria decision analysis in conservation planning: Designing conservation area networks in San Diego County

NASA Astrophysics Data System (ADS)

MacDonald, Garrick Richard

To limit biodiversity loss caused by human activity, conservation planning must protect biodiversity while considering socio-economic cost criteria. This research aimed to determine the effects of socio-economic criteria and spatial configurations on the development of CANs for three species with different distribution patterns, while simultaneously attempting to address the uncertainty and sensitivity of CANs produced by ConsNet. The socio-economic factors and spatial criteria included the cost of land, population density, agricultural output value, area, average cluster area, number of clusters, shape, and perimeter. Three sensitive mammal species with different distribution patterns were selected and included the Bobcat, Ringtail, and a custom created mammal distribution. Forty problems and the corresponding number of CANs were formulated and computed by running each predicted presence species model with and without the four different socioeconomic threshold groups at two different resolutions. Thirty-two percent less area was conserved after considering multiple socio-economic constraints and spatial configurations in comparison to CANs that did not consider multiple socio-economic constraints and spatial configurations. Without including socio-economic costs, ConsNet's ALL_CELLS heuristic solution was the highest ranking CAN. After considering multiple socio-economic costs, the number one ranking CAN was no longer the ALL_CELLS heuristic solution, but a spatially different meta-heuristic solution. The effects of multiple constraints and objectives on the design of CANs with different distribution patterns did not vary significantly across the criteria. The CANs produced by ConsNet appeared to demonstrate some uncertainty surrounding particular criteria, but did not demonstrate substantial uncertainty across all criteria used to rank the CANs. Similarly, the range of socio-economic criteria thresholds did not have a substantial impact. ConsNet was very applicable to the research project, however, it did exhibit a few limitations. Both the advantages and disadvantages of ConsNet should be considered before using ConsNet for future conservation planning projects. The research project is an example of a large data scenario undertaken with a multiple criteria decision analysis (MCDA) approach.

The effect of imposing 'fractional abundance constraints' onto the multilayer perceptron for sub-pixel land cover classification

NASA Astrophysics Data System (ADS)

Heremans, Stien; Suykens, Johan A. K.; Van Orshoven, Jos

2016-02-01

To be physically interpretable, sub-pixel land cover fractions or abundances should fulfill two constraints, the Abundance Non-negativity Constraint (ANC) and the Abundance Sum-to-one Constraint (ASC). This paper focuses on the effect of imposing these constraints onto the MultiLayer Perceptron (MLP) for a multi-class sub-pixel land cover classification of a time series of low resolution MODIS-images covering the northern part of Belgium. Two constraining modes were compared, (i) an in-training approach that uses 'softmax' as the transfer function in the MLP's output layer and (ii) a post-training approach that linearly rescales the outputs of the unconstrained MLP. Our results demonstrate that the pixel-level prediction accuracy is markedly increased by the explicit enforcement, both in-training and post-training, of the ANC and the ASC. For aggregations of pixels (municipalities), the constrained perceptrons perform at least as well as their unconstrained counterparts. Although the difference in performance between the in-training and post-training approach is small, we recommend the former for integrating the fractional abundance constraints into MLPs meant for sub-pixel land cover estimation, regardless of the targeted level of spatial aggregation.

Constraints on patchy reionization from Planck CMB temperature trispectrum

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

Namikawa, Toshiya

Here, we present constraints on the patchy reionization by measuring the trispectrum of the Planck 2015 cosmic microwave background (CMB) temperature anisotropies. The patchy reionization leads to anisotropies in the CMB optical depth, and the statistics of the observed CMB anisotropies is altered. Here, we estimate the trispectrum of the CMB temperature anisotropies to constrain spatial variation of the optical depth. We show that the measured trispectrum is consistent with that from the standard lensed CMB simulation at 2σ. While no evidence of the patchy reionization is found in the Planck 2015 temperature trispectrum, the CMB constraint on the patchymore » reionization is significantly improved from previous works. Assuming the analytic bubble-halo model of Wang and Hu (2006), the constraint obtained in this work rules out the typical bubble size at the ionization fraction of ~ 0.5 as R ≳ 10 Mpc. Further, our constraint implies that large-scale B -modes from the patchy reionization are not a significant contamination in detecting the primordial gravitational waves of r ≳ 0.001 if the B mode induced by the patchy reionization is described by Dvorkin et al. (2009). The CMB trispectrum data starts to provide meaningful constraints on the patchy reionization.« less

Constraints on patchy reionization from Planck CMB temperature trispectrum

NASA Astrophysics Data System (ADS)

Namikawa, Toshiya

2018-03-01

We present constraints on the patchy reionization by measuring the trispectrum of the Planck 2015 cosmic microwave background (CMB) temperature anisotropies. The patchy reionization leads to anisotropies in the CMB optical depth, and the statistics of the observed CMB anisotropies is altered. We estimate the trispectrum of the CMB temperature anisotropies to constrain spatial variation of the optical depth. We show that the measured trispectrum is consistent with that from the standard lensed CMB simulation at 2 σ . While no evidence of the patchy reionization is found in the Planck 2015 temperature trispectrum, the CMB constraint on the patchy reionization is significantly improved from previous works. Assuming the analytic bubble-halo model of Wang and Hu (2006), the constraint obtained in this work rules out the typical bubble size at the ionization fraction of ˜0.5 as R ≳10 Mpc . Further, our constraint implies that large-scale B -modes from the patchy reionization are not a significant contamination in detecting the primordial gravitational waves of r ≳0.001 if the B mode induced by the patchy reionization is described by Dvorkin et al. (2009). The CMB trispectrum data starts to provide meaningful constraints on the patchy reionization.

Constraints on patchy reionization from Planck CMB temperature trispectrum

DOE PAGES

Namikawa, Toshiya

2018-03-05

Here, we present constraints on the patchy reionization by measuring the trispectrum of the Planck 2015 cosmic microwave background (CMB) temperature anisotropies. The patchy reionization leads to anisotropies in the CMB optical depth, and the statistics of the observed CMB anisotropies is altered. Here, we estimate the trispectrum of the CMB temperature anisotropies to constrain spatial variation of the optical depth. We show that the measured trispectrum is consistent with that from the standard lensed CMB simulation at 2σ. While no evidence of the patchy reionization is found in the Planck 2015 temperature trispectrum, the CMB constraint on the patchymore » reionization is significantly improved from previous works. Assuming the analytic bubble-halo model of Wang and Hu (2006), the constraint obtained in this work rules out the typical bubble size at the ionization fraction of ~ 0.5 as R ≳ 10 Mpc. Further, our constraint implies that large-scale B -modes from the patchy reionization are not a significant contamination in detecting the primordial gravitational waves of r ≳ 0.001 if the B mode induced by the patchy reionization is described by Dvorkin et al. (2009). The CMB trispectrum data starts to provide meaningful constraints on the patchy reionization.« less

Blind deconvolution of astronomical images with band limitation determined by optical system parameters

NASA Astrophysics Data System (ADS)

Luo, L.; Fan, M.; Shen, M. Z.

2007-07-01

Atmospheric turbulence greatly limits the spatial resolution of astronomical images acquired by the large ground-based telescope. The record image obtained from telescope was thought as a convolution result of the object function and the point spread function. The statistic relationship of the images measured data, the estimated object and point spread function was in accord with the Bayes conditional probability distribution, and the maximum-likelihood formulation was found. A blind deconvolution approach based on the maximum-likelihood estimation technique with real optical band limitation constraint is presented for removing the effect of atmospheric turbulence on this class images through the minimization of the convolution error function by use of the conjugation gradient optimization algorithm. As a result, the object function and the point spread function could be estimated from a few record images at the same time by the blind deconvolution algorithm. According to the principle of Fourier optics, the relationship between the telescope optical system parameters and the image band constraint in the frequency domain was formulated during the image processing transformation between the spatial domain and the frequency domain. The convergence of the algorithm was increased by use of having the estimated function variable (also is the object function and the point spread function) nonnegative and the point-spread function band limited. Avoiding Fourier transform frequency components beyond the cut off frequency lost during the image processing transformation when the size of the sampled image data, image spatial domain and frequency domain were the same respectively, the detector element (e.g. a pixels in the CCD) should be less than the quarter of the diffraction speckle diameter of the telescope for acquiring the images on the focal plane. The proposed method can easily be applied to the case of wide field-view turbulent-degraded images restoration because of no using the object support constraint in the algorithm. The performance validity of the method is examined by the computer simulation and the restoration of the real Alpha Psc astronomical image data. The results suggest that the blind deconvolution with the real optical band constraint can remove the effect of the atmospheric turbulence on the observed images and the spatial resolution of the object image can arrive at or exceed the diffraction-limited level.

Restoration of multichannel microwave radiometric images

NASA Technical Reports Server (NTRS)

Chin, R. T.; Yeh, C. L.; Olson, W. S.

1983-01-01

A constrained iterative image restoration method is applied to multichannel diffraction-limited imagery. This method is based on the Gerchberg-Papoulis algorithm utilizing incomplete information and partial constraints. The procedure is described using the orthogonal projection operators which project onto two prescribed subspaces iteratively. Some of its properties and limitations are also presented. The selection of appropriate constraints was emphasized in a practical application. Multichannel microwave images, each having different spatial resolution, were restored to a common highest resolution to demonstrate the effectiveness of the method. Both noise-free and noisy images were used in this investigation.

Anomaly free cosmological perturbations with generalised holonomy correction in loop quantum cosmology

NASA Astrophysics Data System (ADS)

Han, Yu; Liu, Molin

2018-05-01

In the spatially flat case of loop quantum cosmology, the connection is usually replaced by the holonomy in effective theory. In this paper, instead of the standard scheme, we use a generalised, undetermined function to represent the holonomy and by using the approach of anomaly free constraint algebra we fix all the counter terms in the constraints and find the restriction in the form of , then we derive the gauge-invariant equations of motion of the scalar, tensor and vector perturbations and study the inflationary power spectra with generalised holonomy correction.

Knowledge-Guided Docking of WW Domain Proteins and Flexible Ligands

NASA Astrophysics Data System (ADS)

Lu, Haiyun; Li, Hao; Banu Bte Sm Rashid, Shamima; Leow, Wee Kheng; Liou, Yih-Cherng

Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling. We present a knowledge-guided approach for docking protein domains and flexible ligands. The approach is applied to the WW domain, a small protein module mediating signaling complexes which have been implicated in diseases such as muscular dystrophy and Liddle’s syndrome. The first stage of the approach employs a substring search for two binding grooves of WW domains and possible binding motifs of peptide ligands based on known features. The second stage aligns the ligand’s peptide backbone to the two binding grooves using a quasi-Newton constrained optimization algorithm. The backbone-aligned ligands produced serve as good starting points to the third stage which uses any flexible docking algorithm to perform the docking. The experimental results demonstrate that the backbone alignment method in the second stage performs better than conventional rigid superposition given two binding constraints. It is also shown that using the backbone-aligned ligands as initial configurations improves the flexible docking in the third stage. The presented approach can also be applied to other protein domains that involve binding of flexible ligand to two or more binding sites.

Large-scale turnover of functional transcription factor bindingsites in Drosophila

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

Moses, Alan M.; Pollard, Daniel A.; Nix, David A.

2006-07-14

The gain and loss of functional transcription-factor bindingsites has been proposed as a major source of evolutionary change incis-regulatory DNA and gene expression. We have developed an evolutionarymodel to study binding site turnover that uses multiple sequencealignments to assess the evolutionary constraint on individual bindingsites, and to map gain and loss events along a phylogenetic tree. Weapply this model to study the evolutionary dynamics of binding sites ofthe Drosophila melanogaster transcription factor Zeste, using genome-widein vivo (ChIP-chip) binding data to identify functional Zeste bindingsites, and the genome sequences of D. melanogaster, D. simulans, D.erecta and D. yakuba to study theirmore » evolution. We estimate that more than5 percent of functional Zeste binding sites in D. melanogaster weregained along the D. melanogaster lineage or lost along one of the otherlineages. We find that Zeste bound regions have a reduced rate of bindingsite loss and an increased rate of binding site gain relative to flankingsequences. Finally, we show that binding site gains and losses areasymmetrically distributed with respect to D. melanogaster, consistentwith lineage-specific acquisition and loss of Zeste-responsive regulatoryelements.« less

Object-location binding across a saccade: A retinotopic Spatial Congruency Bias

PubMed Central

Shafer-Skelton, Anna; Kupitz, Colin N.; Golomb, Julie D.

2017-01-01

Despite frequent eye movements that rapidly shift the locations of objects on our retinas, our visual system creates a stable perception of the world. To do this, it must convert eye-centered (retinotopic) input to world-centered (spatiotopic) percepts. Moreover, for successful behavior we must also incorporate information about object features/identities during this updating – a fundamental challenge that remains to be understood. Here we adapted a recent behavioral paradigm, the “Spatial Congruency Bias”, to investigate object-location binding across an eye movement. In two initial baseline experiments, we showed that the Spatial Congruency Bias was present for both gabor and face stimuli in addition to the object stimuli used in the original paradigm. Then, across three main experiments, we found the bias was preserved across an eye movement, but only in retinotopic coordinates: Subjects were more likely to perceive two stimuli as having the same features/identity when they were presented in the same retinotopic location. Strikingly, there was no evidence of location binding in the more ecologically relevant spatiotopic (world-centered) coordinates; the reference frame did not update to spatiotopic even at longer post-saccade delays, nor did it transition to spatiotopic with more complex stimuli (gabors, shapes, and faces all showed a retinotopic Congruency Bias). Our results suggest that object-location binding may be tied to retinotopic coordinates, and that it may need to be re-established following each eye movement rather than being automatically updated to spatiotopic coordinates. PMID:28070793

Developing Vs30 site-condition maps by combining observations with geologic and topographic constraints

USGS Publications Warehouse

Thompson, E.M.; Wald, D.J.

2012-01-01

Despite obvious limitations as a proxy for site amplification, the use of time-averaged shear-wave velocity over the top 30 m (VS30) remains widely practiced, most notably through its use as an explanatory variable in ground motion prediction equations (and thus hazard maps and ShakeMaps, among other applications). As such, we are developing an improved strategy for producing VS30 maps given the common observational constraints. Using the abundant VS30 measurements in Taiwan, we compare alternative mapping methods that combine topographic slope, surface geology, and spatial correlation structure. The different VS30 mapping algorithms are distinguished by the way that slope and geology are combined to define a spatial model of VS30. We consider the globally applicable slope-only model as a baseline to which we compare two methods of combining both slope and geology. For both hybrid approaches, we model spatial correlation structure of the residuals using the kriging-with-a-trend technique, which brings the map into closer agreement with the observations. Cross validation indicates that we can reduce the uncertainty of the VS30 map by up to 16% relative to the slope-only approach.

Delayed response and biosonar perception explain movement coordination in trawling bats.

PubMed

Giuggioli, Luca; McKetterick, Thomas J; Holderied, Marc

2015-03-01

Animal coordinated movement interactions are commonly explained by assuming unspecified social forces of attraction, repulsion and alignment with parameters drawn from observed movement data. Here we propose and test a biologically realistic and quantifiable biosonar movement interaction mechanism for echolocating bats based on spatial perceptual bias, i.e. actual sound field, a reaction delay, and observed motor constraints in speed and acceleration. We found that foraging pairs of bats flying over a water surface swapped leader-follower roles and performed chases or coordinated manoeuvres by copying the heading a nearby individual has had up to 500 ms earlier. Our proposed mechanism based on the interplay between sensory-motor constraints and delayed alignment was able to recreate the observed spatial actor-reactor patterns. Remarkably, when we varied model parameters (response delay, hearing threshold and echolocation directionality) beyond those observed in nature, the spatio-temporal interaction patterns created by the model only recreated the observed interactions, i.e. chases, and best matched the observed spatial patterns for just those response delays, hearing thresholds and echolocation directionalities found to be used by bats. This supports the validity of our sensory ecology approach of movement coordination, where interacting bats localise each other by active echolocation rather than eavesdropping.

Evolution of Satellite Imagers and Sounders for Low Earth Orbit and Technology Directions at NASA

NASA Technical Reports Server (NTRS)

Pagano, Thomas S.; McClain, Charles R.

2010-01-01

Imagers and Sounders for Low Earth Orbit (LEO) provide fundamental global daily observations of the Earth System for scientists, researchers, and operational weather agencies. The imager provides the nominal 1-2 km spatial resolution images with global coverage in multiple spectral bands for a wide range of uses including ocean color, vegetation indices, aerosol, snow and cloud properties, and sea surface temperature. The sounder provides vertical profiles of atmospheric temperature, water vapor cloud properties, and trace gases including ozone, carbon monoxide, methane and carbon dioxide. Performance capabilities of these systems has evolved with the optical and sensing technologies of the decade. Individual detectors were incorporated on some of the first imagers and sounders that evolved to linear array technology in the '80's. Signal-to-noise constraints limited these systems to either broad spectral resolution as in the case of the imager, or low spatial resolution as in the case of the sounder. Today's area 2-dimensional large format array technology enables high spatial and high spectral resolution to be incorporated into a single instrument. This places new constraints on the design of these systems and enables new capabilities for scientists to examine the complex processes governing the Earth System.

Investigating the impact of spatial priors on the performance of model-based IVUS elastography

PubMed Central

Richards, M S; Doyley, M M

2012-01-01

This paper describes methods that provide pre-requisite information for computing circumferential stress in modulus elastograms recovered from vascular tissue—information that could help cardiologists detect life-threatening plaques and predict their propensity to rupture. The modulus recovery process is an ill-posed problem; therefore additional information is needed to provide useful elastograms. In this work, prior geometrical information was used to impose hard or soft constraints on the reconstruction process. We conducted simulation and phantom studies to evaluate and compare modulus elastograms computed with soft and hard constraints versus those computed without any prior information. The results revealed that (1) the contrast-to-noise ratio of modulus elastograms achieved using the soft prior and hard prior reconstruction methods exceeded those computed without any prior information; (2) the soft prior and hard prior reconstruction methods could tolerate up to 8 % measurement noise; and (3) the performance of soft and hard prior modulus elastogram degraded when incomplete spatial priors were employed. This work demonstrates that including spatial priors in the reconstruction process should improve the performance of model-based elastography, and the soft prior approach should enhance the robustness of the reconstruction process to errors in the geometrical information. PMID:22037648

Anatomical constraints on attention: Hemifield independence is a signature of multifocal spatial selection

PubMed Central

Alvarez, George A; Gill, Jonathan; Cavanagh, Patrick

2012-01-01

Previous studies have shown independent attentional selection of targets in the left and right visual hemifields during attentional tracking (Alvarez & Cavanagh, 2005) but not during a visual search (Luck, Hillyard, Mangun, & Gazzaniga, 1989). Here we tested whether multifocal spatial attention is the critical process that operates independently in the two hemifields. It is explicitly required in tracking (attend to a subset of object locations, suppress the others) but not in the standard visual search task (where all items are potential targets). We used a modified visual search task in which observers searched for a target within a subset of display items, where the subset was selected based on location (Experiments 1 and 3A) or based on a salient feature difference (Experiments 2 and 3B). The results show hemifield independence in this subset visual search task with location-based selection but not with feature-based selection; this effect cannot be explained by general difficulty (Experiment 4). Combined, these findings suggest that hemifield independence is a signature of multifocal spatial attention and highlight the need for cognitive and neural theories of attention to account for anatomical constraints on selection mechanisms. PMID:22637710

Design analysis of an MPI human functional brain scanner

PubMed Central

Mason, Erica E.; Cooley, Clarissa Z.; Cauley, Stephen F.; Griswold, Mark A.; Conolly, Steven M.; Wald, Lawrence L.

2017-01-01

MPI’s high sensitivity makes it a promising modality for imaging brain function. Functional contrast is proposed based on blood SPION concentration changes due to Cerebral Blood Volume (CBV) increases during activation, a mechanism utilized in fMRI studies. MPI offers the potential for a direct and more sensitive measure of SPION concentration, and thus CBV, than fMRI. As such, fMPI could surpass fMRI in sensitivity, enhancing the scientific and clinical value of functional imaging. As human-sized MPI systems have not been attempted, we assess the technical challenges of scaling MPI from rodent to human brain. We use a full-system MPI simulator to test arbitrary hardware designs and encoding practices, and we examine tradeoffs imposed by constraints that arise when scaling to human size as well as safety constraints (PNS and central nervous system stimulation) not considered in animal scanners, thereby estimating spatial resolutions and sensitivities achievable with current technology. Using a projection FFL MPI system, we examine coil hardware options and their implications for sensitivity and spatial resolution. We estimate that an fMPI brain scanner is feasible, although with reduced sensitivity (20×) and spatial resolution (5×) compared to existing rodent systems. Nonetheless, it retains sufficient sensitivity and spatial resolution to make it an attractive future instrument for studying the human brain; additional technical innovations can result in further improvements. PMID:28752130

Constraints on Dark Energy from Baryon Acoustic Peak and Galaxy Cluster Gas Mass Measurements

NASA Astrophysics Data System (ADS)

Samushia, Lado; Ratra, Bharat

2009-10-01

We use baryon acoustic peak measurements by Eisenstein et al. and Percival et al., together with the Wilkinson Microwave Anisotropy Probe (WMAP) measurement of the apparent acoustic horizon angle, and galaxy cluster gas mass fraction measurements of Allen et al., to constrain a slowly rolling scalar field dark energy model, phiCDM, in which dark energy's energy density changes in time. We also compare our phiCDM results with those derived for two more common dark energy models: the time-independent cosmological constant model, ΛCDM, and the XCDM parameterization of dark energy's equation of state. For time-independent dark energy, the Percival et al. measurements effectively constrain spatial curvature and favor a close to the spatially flat model, mostly due to the WMAP cosmic microwave background prior used in the analysis. In a spatially flat model the Percival et al. data less effectively constrain time-varying dark energy. The joint baryon acoustic peak and galaxy cluster gas mass constraints on the phiCDM model are consistent with but tighter than those derived from other data. A time-independent cosmological constant in a spatially flat model provides a good fit to the joint data, while the α parameter in the inverse power-law potential phiCDM model is constrained to be less than about 4 at 3σ confidence level.

Technology for planning and scheduling under complex constraints

NASA Astrophysics Data System (ADS)

Alguire, Karen M.; Pedro Gomes, Carla O.

1997-02-01

Within the context of law enforcement, several problems fall into the category of planning and scheduling under constraints. Examples include resource and personnel scheduling, and court scheduling. In the case of court scheduling, a schedule must be generated considering available resources, e.g., court rooms and personnel. Additionally, there are constraints on individual court cases, e.g., temporal and spatial, and between different cases, e.g., precedence. Finally, there are overall objectives that the schedule should satisfy such as timely processing of cases and optimal use of court facilities. Manually generating a schedule that satisfies all of the constraints is a very time consuming task. As the number of court cases and constraints increases, this becomes increasingly harder to handle without the assistance of automatic scheduling techniques. This paper describes artificial intelligence (AI) technology that has been used to develop several high performance scheduling applications including a military transportation scheduler, a military in-theater airlift scheduler, and a nuclear power plant outage scheduler. We discuss possible law enforcement applications where we feel the same technology could provide long-term benefits to law enforcement agencies and their operations personnel.

Quantitative Variation in Responses to Root Spatial Constraint within Arabidopsis thaliana[OPEN

PubMed Central

Joseph, Bindu; Lau, Lillian; Kliebenstein, Daniel J.

2015-01-01

Among the myriad of environmental stimuli that plants utilize to regulate growth and development to optimize fitness are signals obtained from various sources in the rhizosphere that give an indication of the nutrient status and volume of media available. These signals include chemical signals from other plants, nutrient signals, and thigmotropic interactions that reveal the presence of obstacles to growth. Little is known about the genetics underlying the response of plants to physical constraints present within the rhizosphere. In this study, we show that there is natural variation among Arabidopsis thaliana accessions in their growth response to physical rhizosphere constraints and competition. We mapped growth quantitative trait loci that regulate a positive response of foliar growth to short physical constraints surrounding the root. This is a highly polygenic trait and, using quantitative validation studies, we showed that natural variation in EARLY FLOWERING3 (ELF3) controls the link between root constraint and altered shoot growth. This provides an entry point to study how root and shoot growth are integrated to respond to environmental stimuli. PMID:26243313

An Eye-Tracking Study of Exploitations of Spatial Constraints in Diagrammatic Reasoning

ERIC Educational Resources Information Center

Shimojima, Atsushi; Katagiri, Yasuhiro

2013-01-01

Semantic studies on diagrammatic notations (Barwise & Etchemendy,; Shimojima,; Stenning & Lemon, ) have revealed that the "non-deductive," "emergent," or "perceptual" effects of diagrams (Chandrasekaran, Kurup, Banerjee, Josephson, & Winkler,; Kulpa,; Larkin & Simon,; Lindsay, ) are all rooted in the…

ReAsH/FlAsH Labeling and Image Analysis of Tetracysteine Sensor Proteins in Cells

PubMed Central

Irtegun, Sevgi; Ramdzan, Yasmin M.; Mulhern, Terrence D.; Hatters, Danny M.

2011-01-01

Fluorescent proteins and dyes are essential tools for the study of protein trafficking, localization and function in cells. While fluorescent proteins such as green fluorescence protein (GFP) have been extensively used as fusion partners to proteins to track the properties of a protein of interest1, recent developments with smaller tags enable new functionalities of proteins to be examined in cells such as conformational change and protein-association 2, 3. One small tag system involves a tetracysteine motif (CCXXCC) genetically inserted into a target protein, which binds to biarsenical dyes, ReAsH (red fluorescent) and FlAsH (green fluorescent), with high specificity even in live cells 2. The TC/biarsenical dye system offers far less steric constraints to the host protein than fluorescent proteins which has enabled several new approaches to measure conformational change and protein-protein interactions 4-7. We recently developed a novel application of TC tags as sensors of oligomerization in cells expressing mutant huntingtin, which when mutated aggregates in neurons in Huntington disease 7. Huntingtin was tagged with two fluorescent dyes, one a fluorescent protein to track protein location, and the second a TC tag which only binds biarsenical dyes in monomers. Hence, changes in colocalization between protein and biarsenical dye reactivity enabled submicroscopic oligomer content to be spatially mapped within cells. Here, we describe how to label TC-tagged proteins fused to a fluorescent protein (Cherry, GFP or CFP) with FlAsH or ReAsH in live mammalian cells and how to quantify the two color fluorescence (Cherry/FlAsH, CFP/FlAsH or GFP/ReAsH combinations). PMID:21897361

Infrared Ship Target Segmentation Based on Spatial Information Improved FCM.

PubMed

Bai, Xiangzhi; Chen, Zhiguo; Zhang, Yu; Liu, Zhaoying; Lu, Yi

2016-12-01

Segmentation of infrared (IR) ship images is always a challenging task, because of the intensity inhomogeneity and noise. The fuzzy C-means (FCM) clustering is a classical method widely used in image segmentation. However, it has some shortcomings, like not considering the spatial information or being sensitive to noise. In this paper, an improved FCM method based on the spatial information is proposed for IR ship target segmentation. The improvements include two parts: 1) adding the nonlocal spatial information based on the ship target and 2) using the spatial shape information of the contour of the ship target to refine the local spatial constraint by Markov random field. In addition, the results of K -means are used to initialize the improved FCM method. Experimental results show that the improved method is effective and performs better than the existing methods, including the existing FCM methods, for segmentation of the IR ship images.

An intelligent user interface for browsing satellite data catalogs

NASA Technical Reports Server (NTRS)

Cromp, Robert F.; Crook, Sharon

1989-01-01

A large scale domain-independent spatial data management expert system that serves as a front-end to databases containing spatial data is described. This system is unique for two reasons. First, it uses spatial search techniques to generate a list of all the primary keys that fall within a user's spatial constraints prior to invoking the database management system, thus substantially decreasing the amount of time required to answer a user's query. Second, a domain-independent query expert system uses a domain-specific rule base to preprocess the user's English query, effectively mapping a broad class of queries into a smaller subset that can be handled by a commercial natural language processing system. The methods used by the spatial search module and the query expert system are explained, and the system architecture for the spatial data management expert system is described. The system is applied to data from the International Ultraviolet Explorer (IUE) satellite, and results are given.

Learning Low-Rank Decomposition for Pan-Sharpening With Spatial-Spectral Offsets.

PubMed

Yang, Shuyuan; Zhang, Kai; Wang, Min

2017-08-25

Finding accurate injection components is the key issue in pan-sharpening methods. In this paper, a low-rank pan-sharpening (LRP) model is developed from a new perspective of offset learning. Two offsets are defined to represent the spatial and spectral differences between low-resolution multispectral and high-resolution multispectral (HRMS) images, respectively. In order to reduce spatial and spectral distortions, spatial equalization and spectral proportion constraints are designed and cast on the offsets, to develop a spatial and spectral constrained stable low-rank decomposition algorithm via augmented Lagrange multiplier. By fine modeling and heuristic learning, our method can simultaneously reduce spatial and spectral distortions in the fused HRMS images. Moreover, our method can efficiently deal with noises and outliers in source images, for exploring low-rank and sparse characteristics of data. Extensive experiments are taken on several image data sets, and the results demonstrate the efficiency of the proposed LRP.

Extended Lagrangian formulation of charge-constrained tight-binding molecular dynamics.

PubMed

Cawkwell, M J; Coe, J D; Yadav, S K; Liu, X-Y; Niklasson, A M N

2015-06-09

The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [Niklasson, Phys. Rev. Lett., 2008, 100, 123004] has been applied to a tight-binding model under the constraint of local charge neutrality to yield microcanonical trajectories with both precise, long-term energy conservation and a reduced number of self-consistent field optimizations at each time step. The extended Lagrangian molecular dynamics formalism restores time reversal symmetry in the propagation of the electronic degrees of freedom, and it enables the efficient and accurate self-consistent optimization of the chemical potential and atomwise potential energy shifts in the on-site elements of the tight-binding Hamiltonian that are required when enforcing local charge neutrality. These capabilities are illustrated with microcanonical molecular dynamics simulations of a small metallic cluster using an sd-valent tight-binding model for titanium. The effects of weak dissipation on the propagation of the auxiliary degrees of freedom for the chemical potential and on-site Hamiltonian matrix elements that is used to counteract the accumulation of numerical noise during trajectories was also investigated.

Covariant Hamiltonian tetrad approach to numerical relativity

NASA Astrophysics Data System (ADS)

Hamilton, Andrew J. S.

2017-12-01

A Hamiltonian approach to the equations of general relativity is proposed using the powerful mathematical language of multivector-valued differential forms. In the approach, the gravitational coordinates are the 12 spatial components of the line interval (the vierbein) including their antisymmetric parts, and their 12 conjugate momenta. A feature of the proposed formalism is that it allows Lorentz gauge freedoms to be imposed on the Lorentz connections rather than on the vierbein, which may facilitate numerical integration in some challenging problems. The 40 Hamilton's equations comprise 12 +12 =24 equations of motion, ten constraint equations (first class constraints, which must be arranged on the initial hypersurface of constant time, but which are guaranteed thereafter by conservation laws), and six identities (second class constraints). The six identities define a trace-free spatial tensor that is the gravitational analog of the magnetic field of electromagnetism. If the gravitational magnetic field is promoted to an independent field satisfying its own equation of motion, then the system becomes the Wahlquist-Estabrook-Buchman-Bardeen (WEBB) system, which is known to be strongly hyperbolic. Some other approaches, including Arnowitt-Deser-Misner, Baumgarte-Shapiro-Shibata-Nakamura, WEBB, and loop quantum gravity, are translated into the language of multivector-valued forms, bringing out their underlying mathematical structure.

Evolution of sparsity and modularity in a model of protein allostery

NASA Astrophysics Data System (ADS)

Hemery, Mathieu; Rivoire, Olivier

2015-04-01

The sequence of a protein is not only constrained by its physical and biochemical properties under current selection, but also by features of its past evolutionary history. Understanding the extent and the form that these evolutionary constraints may take is important to interpret the information in protein sequences. To study this problem, we introduce a simple but physical model of protein evolution where selection targets allostery, the functional coupling of distal sites on protein surfaces. This model shows how the geometrical organization of couplings between amino acids within a protein structure can depend crucially on its evolutionary history. In particular, two scenarios are found to generate a spatial concentration of functional constraints: high mutation rates and fluctuating selective pressures. This second scenario offers a plausible explanation for the high tolerance of natural proteins to mutations and for the spatial organization of their least tolerant amino acids, as revealed by sequence analysis and mutagenesis experiments. It also implies a faculty to adapt to new selective pressures that is consistent with observations. The model illustrates how several independent functional modules may emerge within the same protein structure, depending on the nature of past environmental fluctuations. Our model thus relates the evolutionary history of proteins to the geometry of their functional constraints, with implications for decoding and engineering protein sequences.

Solving protein structures using short-distance cross-linking constraints as a guide for discrete molecular dynamics simulations

PubMed Central

Brodie, Nicholas I.; Popov, Konstantin I.; Petrotchenko, Evgeniy V.; Dokholyan, Nikolay V.; Borchers, Christoph H.

2017-01-01

We present an integrated experimental and computational approach for de novo protein structure determination in which short-distance cross-linking data are incorporated into rapid discrete molecular dynamics (DMD) simulations as constraints, reducing the conformational space and achieving the correct protein folding on practical time scales. We tested our approach on myoglobin and FK506 binding protein—models for α helix–rich and β sheet–rich proteins, respectively—and found that the lowest-energy structures obtained were in agreement with the crystal structure, hydrogen-deuterium exchange, surface modification, and long-distance cross-linking validation data. Our approach is readily applicable to other proteins with unknown structures. PMID:28695211

Solving protein structures using short-distance cross-linking constraints as a guide for discrete molecular dynamics simulations.

PubMed

Brodie, Nicholas I; Popov, Konstantin I; Petrotchenko, Evgeniy V; Dokholyan, Nikolay V; Borchers, Christoph H

2017-07-01

We present an integrated experimental and computational approach for de novo protein structure determination in which short-distance cross-linking data are incorporated into rapid discrete molecular dynamics (DMD) simulations as constraints, reducing the conformational space and achieving the correct protein folding on practical time scales. We tested our approach on myoglobin and FK506 binding protein-models for α helix-rich and β sheet-rich proteins, respectively-and found that the lowest-energy structures obtained were in agreement with the crystal structure, hydrogen-deuterium exchange, surface modification, and long-distance cross-linking validation data. Our approach is readily applicable to other proteins with unknown structures.

From Resource-Adaptive Navigation Assistance to Augmented Cognition

NASA Astrophysics Data System (ADS)

Zimmer, Hubert D.; Münzer, Stefan; Baus, Jörg

In an assistance scenario, a computer provides purposive information supporting a human user in an everyday situation. Wayfinding with navigation assistance is a prototypical assistance scenario. The present chapter analyzes the interplay of the resources of the assistance system and the resources of the user. The navigation assistance system provides geographic knowledge, positioning information, route planning, spatial overview information, and route commands at decision points. The user's resources encompass spatial knowledge, spatial abilities and visuo-spatial working memory, orientation strategies, and cultural habit. Flexible adaptations of the assistance system to available resources of the user are described, taking different wayfinding goals, situational constraints, and individual differences into account. Throughout the chapter, the idea is pursued that the available resources of the user should be kept active.

Allocentric versus Egocentric Spatial Memory in Adults with Autism Spectrum Disorder

ERIC Educational Resources Information Center

Ring, Melanie; Gaigg, Sebastian B.; Altgassen, Mareike; Barr, Peter; Bowler, Dermot M.

2018-01-01

Individuals with autism spectrum disorder (ASD) present difficulties in forming relations among items and context. This capacity for relational binding is also involved in spatial navigation and research on this topic in ASD is scarce and inconclusive. Using a computerised version of the Morris Water Maze task, ASD participants showed particular…

Exploring the Tomlin-Varadarajan quantum constraints in U (1 )3 loop quantum gravity: Solutions and the Minkowski theorem

NASA Astrophysics Data System (ADS)

Lewandowski, Jerzy; Lin, Chun-Yen

2017-03-01

We explicitly solved the anomaly-free quantum constraints proposed by Tomlin and Varadarajan for the weak Euclidean model of canonical loop quantum gravity, in a large subspace of the model's kinematic Hilbert space, which is the space of the charge network states. In doing so, we first identified the subspace on which each of the constraints acts convergingly, and then by explicitly evaluating such actions we found the complete set of the solutions in the identified subspace. We showed that the space of solutions consists of two classes of states, with the first class having a property that involves the condition known from the Minkowski theorem on polyhedra, and the second class satisfying a weaker form of the spatial diffeomorphism invariance.

Updating of working memory: lingering bindings.

PubMed

Oberauer, Klaus; Vockenberg, Kerstin

2009-05-01

Three experiments investigated proactive interference and proactive facilitation in a memory-updating paradigm. Participants remembered several letters or spatial patterns, distinguished by their spatial positions, and updated them by new stimuli up to 20 times per trial. Self-paced updating times were shorter when an item previously remembered and then replaced reappeared in the same location than when it reappeared in a different location. This effect demonstrates residual memory for no-longer-relevant bindings of items to locations. The effect increased with the number of items to be remembered. With one exception, updating times did not increase, and recall of final values did not decrease, over successive updating steps, thus providing little evidence for proactive interference building up cumulatively.

[Morphogenetic foundations for increased evolutionary complexity in the organization of thecate hydroids shoots (Cnidaria, Hydroidomedusa, Leptomedusae)].

PubMed

Kosevich, I A

2012-01-01

The morphogenetic approach is applied to analyze the diversity of spatial organization of shoots in thecate hydroids (Cnidaria, Hydroidomedusa, Leptomedusae). The main tendencies and constraints of increased evolutionary complexity in thecate hydroids colonies are uncovered.

From brain to earth and climate systems: small-world interaction networks or not?

PubMed

Bialonski, Stephan; Horstmann, Marie-Therese; Lehnertz, Klaus

2010-03-01

We consider recent reports on small-world topologies of interaction networks derived from the dynamics of spatially extended systems that are investigated in diverse scientific fields such as neurosciences, geophysics, or meteorology. With numerical simulations that mimic typical experimental situations, we have identified an important constraint when characterizing such networks: indications of a small-world topology can be expected solely due to the spatial sampling of the system along with the commonly used time series analysis based approaches to network characterization.

The Influence of Spatial Variation in Chromatin Density Determined by X-Ray Tomograms on the Time to Find DNA Binding Sites

PubMed Central

Larabell, Carolyn A.; Le Gros, Mark A.; McQueen, David M.; Peskin, Charles S.

2014-01-01

In this work, we examine how volume exclusion caused by regions of high chromatin density might influence the time required for proteins to find specific DNA binding sites. The spatial variation of chromatin density within mouse olfactory sensory neurons is determined from soft X-ray tomography reconstructions of five nuclei. We show that there is a division of the nuclear space into regions of low-density euchromatin and high-density heterochromatin. Volume exclusion experienced by a diffusing protein caused by this varying density of chromatin is modeled by a repulsive potential. The value of the potential at a given point in space is chosen to be proportional to the density of chromatin at that location. The constant of proportionality, called the volume exclusivity, provides a model parameter that determines the strength of volume exclusion. Numerical simulations demonstrate that the mean time for a protein to locate a binding site localized in euchromatin is minimized for a finite, nonzero volume exclusivity. For binding sites in heterochromatin, the mean time is minimized when the volume exclusivity is zero (the protein experiences no volume exclusion). An analytical theory is developed to explain these results. The theory suggests that for binding sites in euchromatin there is an optimal level of volume exclusivity that balances a reduction in the volume searched in finding the binding site, with the height of effective potential barriers the protein must cross during the search process. PMID:23955281

Updating the MACHO fraction of the Milky Way dark halo with improved mass models

NASA Astrophysics Data System (ADS)

Calcino, Josh; García-Bellido, Juan; Davis, Tamara M.

2018-05-01

Recent interest in primordial black holes as a possible dark matter candidate has motivated the reanalysis of previous methods for constraining massive astrophysical compact objects in the Milky Way halo and beyond. In order to derive these constraints, a model for the dark matter distribution around the Milky Way must be used. Previous microlensing searches have assumed a semi-isothermal density sphere for this task. We show this model is no longer consistent with data from the Milky Way rotation curve, and test two replacement models, namely NFW and power-law. The power-law model is the most flexible as it can break spherical symmetry, and best fits the data. Thus, we recommend the power-law model as a replacement, although it still lacks the flexibility to fully encapsulate all possible shapes of the Milky Way halo. We then use the power-law model to rederive some previous microlensing constraints in the literature, while propagating the primary halo-shape uncertainties through to our final constraints. Our analysis reveals that the microlensing constraints towards the Large Magellanic Cloud weaken somewhat for MACHO masses around 10 M⊙ when this uncertainty is taken into account, but the constraints tighten at lower masses. Exploring some of the simplifying assumptions of previous constraints we also study the effect of wide mass distributions of compact halo objects, as well as the effect of spatial clustering on microlensing constraints. We find that both effects induce a shift in the constraints towards smaller masses, and can effectively remove the microlensing constraints from M ˜ 1 - 10M⊙ for certain MACHO populations.

BINDING, SPATIAL ATTENTION AND PERCEPTUAL AWARENESS

PubMed Central

Robertson, Lynn C.

2012-01-01

The world is experienced as a unified whole, but sensory systems do not deliver it to the brain in this way. Signals from different sensory modalities are initially registered in separate brain areas —even within a modality, features of the sensory mosaic such as colour, size, shape and motion are fragmented and registered in specialized areas of the cortex. How does this information become bound together in experience? Findings from the study of abnormal binding — for example, after stroke — and unusual binding — as in synaesthesia — might help us to understand the cognitive and neural mechanisms that contribute to solving this ‘binding problem’. PMID:12563280

EAST kinetic equilibrium reconstruction combining with Polarimeter-Interferometer internal measurement constraints

NASA Astrophysics Data System (ADS)

Lian, H.; Liu, H. Q.; Li, K.; Zou, Z. Y.; Qian, J. P.; Wu, M. Q.; Li, G. Q.; Zeng, L.; Zang, Q.; Lv, B.; Jie, Y. X.; EAST Team

2017-12-01

Plasma equilibrium reconstruction plays an important role in the tokamak plasma research. With a high temporal and spatial resolution, the POlarimeter-INTerferometer (POINT) system on EAST has provided effective measurements for 102s H-mode operation. Based on internal Faraday rotation measurements provided by the POINT system, the equilibrium reconstruction with a more accurate core current profile constraint has been demonstrated successfully on EAST. Combining other experimental diagnostics and external magnetic fields measurement, the kinetic equilibrium has also been reconstructed on EAST. Take the pressure and edge current information from kinetic EFIT into the equilibrium reconstruction with Faraday rotation constraint, the new equilibrium reconstruction not only provides a more accurate internal current profile but also contains edge current and pressure information. One time slice result using new kinetic equilibrium reconstruction with POINT data constraints is demonstrated in this paper and the result shows there is a reversed shear of q profile and the pressure profile is also contained. The new improved equilibrium reconstruction is greatly helpful to the future theoretical analysis.

Direct constraints on minimal supersymmetry from Fermi-LAT observations of the dwarf galaxy Segue 1

DOE PAGES

Scott, Pat; Conrad, Jan; Edsjö, Joakim; ...

2010-01-26

The dwarf galaxy Segue 1 is one of the most promising targets for the indirect detection of dark matter. We examine what constraints 9 months of Fermi-LAT gamma-ray observations of Segue 1 place upon the Constrained Minimal Supersymmetric Standard Model (CMSSM), with the lightest neutralino as the dark matter particle. We also use nested sampling to explore the CMSSM parameter space, simultaneously fitting other relevant constraints from accelerator bounds, the relic density, electroweak precision observables, the anomalous magnetic moment of the muon and B-physics. We include spectral and spatial fits to the Fermi observations, a full treatment of the instrumentalmore » response and its related uncertainty, and detailed background models. We also perform an extrapolation to 5 years of observations, assuming no signal is observed from Segue 1 in that time. Our results marginally disfavour models with low neutralino masses and high annihilation cross-sections. Virtually all of these models are however already disfavoured by existing experimental or relic density constraints.« less

Distribution of randomly diffusing particles in inhomogeneous media

NASA Astrophysics Data System (ADS)

Li, Yiwei; Kahraman, Osman; Haselwandter, Christoph A.

2017-09-01

Diffusion can be conceptualized, at microscopic scales, as the random hopping of particles between neighboring lattice sites. In the case of diffusion in inhomogeneous media, distinct spatial domains in the system may yield distinct particle hopping rates. Starting from the master equations (MEs) governing diffusion in inhomogeneous media we derive here, for arbitrary spatial dimensions, the deterministic lattice equations (DLEs) specifying the average particle number at each lattice site for randomly diffusing particles in inhomogeneous media. We consider the case of free (Fickian) diffusion with no steric constraints on the maximum particle number per lattice site as well as the case of diffusion under steric constraints imposing a maximum particle concentration. We find, for both transient and asymptotic regimes, excellent agreement between the DLEs and kinetic Monte Carlo simulations of the MEs. The DLEs provide a computationally efficient method for predicting the (average) distribution of randomly diffusing particles in inhomogeneous media, with the number of DLEs associated with a given system being independent of the number of particles in the system. From the DLEs we obtain general analytic expressions for the steady-state particle distributions for free diffusion and, in special cases, diffusion under steric constraints in inhomogeneous media. We find that, in the steady state of the system, the average fraction of particles in a given domain is independent of most system properties, such as the arrangement and shape of domains, and only depends on the number of lattice sites in each domain, the particle hopping rates, the number of distinct particle species in the system, and the total number of particles of each particle species in the system. Our results provide general insights into the role of spatially inhomogeneous particle hopping rates in setting the particle distributions in inhomogeneous media.

Fractionation of visuo-spatial memory processes in bipolar depression: a cognitive scaffolding account.

PubMed

Gallagher, P; Gray, J M; Kessels, R P C

2015-02-01

Previous studies of neurocognitive performance in bipolar disorder (BD) have demonstrated impairments in visuo-spatial memory. The aim of the present study was to use an object-location memory (OLM) paradigm to assess specific, dissociable processes in visuo-spatial memory and examine their relationship with broader neurocognitive performance. Fifty participants (25 patients with BD in a current depressive episode and 25 matched healthy controls) completed the OLM paradigm which assessed three different aspects of visuo-spatial memory: positional memory, object-location binding, and a combined process. Secondary neurocognitive measures of visuo-spatial memory, verbal memory, attention and executive function were also administered. BD patients were significantly impaired on all three OLM processes, with the largest effect in exact positional memory (d = 1.18, p < 0.0001). General deficits were also found across the secondary neurocognitive measures. Using hierarchical regression, verbal learning was found to explain significant variance on the OLM measures where object-identity was present (the object-location binding and combined processes) and accounted for the group difference. The group difference in precise positional memory remained intact. This study demonstrates that patients with bipolar depression manifest deficits in visuo-spatial memory, with substantial impairment in fine-grain, positional memory. The differential profile of processes underpinning the visuo-spatial memory impairment suggests a form of 'cognitive scaffolding', whereby performance on some measures can be supported by verbal memory. These results have important implications for our understanding of the functional cognitive architecture of mood disorder.

Bringing Outdoor Play Indoors in United Arab Emirates: Mud as a Powerful Binding Element

ERIC Educational Resources Information Center

Baker, Fiona S.

2017-01-01

Play and learning in the outdoors have been long-standing features of early years care and education. Unfortunately, children around the world no longer have sufficient opportunities for outdoor play for a variety of reasons. In the United Arab Emirates, climatic constraints limit outdoor play for 6 months of the year. One group of preservice…

Helixconstraints and amino acid substitution in GLP-1 increase cAMP and insulin secretion but not beta-arrestin 2 signaling.

PubMed

Plisson, Fabien; Hill, Timothy A; Mitchell, Justin M; Hoang, Huy N; de Araujo, Aline D; Xu, Weijun; Cotterell, Adam; Edmonds, David J; Stanton, Robert V; Derksen, David R; Loria, Paula M; Griffith, David A; Price, David A; Liras, Spiros; Fairlie, David P

2017-02-15

Glucagon-like peptide (GLP-1) is an endogenous hormone that induces insulin secretion from pancreatic islets and modified forms are used to treat diabetes mellitus type 2. Understanding how GLP-1 interacts with its receptor (GLP-1R) can potentially lead to more effective drugs. Modeling and NMR studies of the N-terminus of GLP-1 suggest a β-turn between residues Glu9-Phe12 and a kinked alpha helix between Val16-Gly37. N-terminal turn constraints attenuated binding affinity and activity (compounds 1-8). Lys-Asp (i, i+4) crosslinks in the middle and at the C-terminus increased alpha helicity and cAMP stimulation without much effect on binding affinity or beta-arrestin 2 recruitment (compounds 9-18). Strategic positioning of helix-inducing constraints and amino acid substitutions (Tyr16, Ala22) increased peptide helicity and produced ten-fold higher cAMP potency (compounds 19-28) over GLP-1(7-37)-NH 2 . The most potent cAMP activator (compound 23) was also the most potent inducer of insulin secretion. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Long-Term Memory for Place Learning Is Facilitated by Expression of cAMP Response Element-Binding Protein in the Dorsal Hippocampus

ERIC Educational Resources Information Center

Brightwell, Jennifer J.; Smith, Clayton A.; Neve, Rachael L.; Colombo, Paul J.

2007-01-01

Extensive research has shown that the hippocampus is necessary for consolidation of long-term spatial memory in rodents. We reported previously that rats using a place strategy to solve a cross maze task showed sustained phosphorylation of hippocampus cyclic AMP response element-binding protein (CREB), a transcription factor implicated in…

Life-Span Development of Visual Working Memory: When Is Feature Binding Difficult?

ERIC Educational Resources Information Center

Cowan, Nelson; Naveh-Benjamin, Moshe; Kilb, Angela; Saults, J. Scott

2006-01-01

We asked whether the ability to keep in working memory the binding between a visual object and its spatial location changes with development across the life span more than memory for item information. Paired arrays of colored squares were identical or differed in the color of one square, and in the latter case, the changed color was unique on…

A Cell-Permeable Phospholipase C[gamma]1-Binding Peptide Transduces Neurons and Impairs Long-Term Spatial Memory

ERIC Educational Resources Information Center

Blum, Sonja; Dash, Pramod K.

2004-01-01

Growth factor-mediated signaling has emerged as an essential component of memory formation. In this study, we used a phospholipase C gamma 1 (PLC[gamma]1) binding, cell-penetrating peptide to sequester PLC[gamma]1 away from its target, the phosphotyrosine residues within the activated growth factor receptor. Peptides appear to transduce neurons…

Perceptual learning shapes multisensory causal inference via two distinct mechanisms

PubMed Central

McGovern, David P.; Roudaia, Eugenie; Newell, Fiona N.; Roach, Neil W.

2016-01-01

To accurately represent the environment, our brains must integrate sensory signals from a common source while segregating those from independent sources. A reasonable strategy for performing this task is to restrict integration to cues that coincide in space and time. However, because multisensory signals are subject to differential transmission and processing delays, the brain must retain a degree of tolerance for temporal discrepancies. Recent research suggests that the width of this ‘temporal binding window’ can be reduced through perceptual learning, however, little is known about the mechanisms underlying these experience-dependent effects. Here, in separate experiments, we measure the temporal and spatial binding windows of human participants before and after training on an audiovisual temporal discrimination task. We show that training leads to two distinct effects on multisensory integration in the form of (i) a specific narrowing of the temporal binding window that does not transfer to spatial binding and (ii) a general reduction in the magnitude of crossmodal interactions across all spatiotemporal disparities. These effects arise naturally from a Bayesian model of causal inference in which learning improves the precision of audiovisual timing estimation, whilst concomitantly decreasing the prior expectation that stimuli emanate from a common source. PMID:27091411

Perceptual learning shapes multisensory causal inference via two distinct mechanisms.

PubMed

McGovern, David P; Roudaia, Eugenie; Newell, Fiona N; Roach, Neil W

2016-04-19

To accurately represent the environment, our brains must integrate sensory signals from a common source while segregating those from independent sources. A reasonable strategy for performing this task is to restrict integration to cues that coincide in space and time. However, because multisensory signals are subject to differential transmission and processing delays, the brain must retain a degree of tolerance for temporal discrepancies. Recent research suggests that the width of this 'temporal binding window' can be reduced through perceptual learning, however, little is known about the mechanisms underlying these experience-dependent effects. Here, in separate experiments, we measure the temporal and spatial binding windows of human participants before and after training on an audiovisual temporal discrimination task. We show that training leads to two distinct effects on multisensory integration in the form of (i) a specific narrowing of the temporal binding window that does not transfer to spatial binding and (ii) a general reduction in the magnitude of crossmodal interactions across all spatiotemporal disparities. These effects arise naturally from a Bayesian model of causal inference in which learning improves the precision of audiovisual timing estimation, whilst concomitantly decreasing the prior expectation that stimuli emanate from a common source.

Putting lexical constraints in context into the visual-world paradigm.

PubMed

Novick, Jared M; Thompson-Schill, Sharon L; Trueswell, John C

2008-06-01

Prior eye-tracking studies of spoken sentence comprehension have found that the presence of two potential referents, e.g., two frogs, can guide listeners toward a Modifier interpretation of Put the frog on the napkin... despite strong lexical biases associated with Put that support a Goal interpretation of the temporary ambiguity (Tanenhaus, M. K., Spivey-Knowlton, M. J., Eberhard, K. M. & Sedivy, J. C. (1995). Integration of visual and linguistic information in spoken language comprehension. Science, 268, 1632-1634; Trueswell, J. C., Sekerina, I., Hill, N. M. & Logrip, M. L. (1999). The kindergarten-path effect: Studying on-line sentence processing in young children. Cognition, 73, 89-134). This pattern is not expected under constraint-based parsing theories: cue conflict between the lexical evidence (which supports the Goal analysis) and the visuo-contextual evidence (which supports the Modifier analysis) should result in uncertainty about the intended analysis and partial consideration of the Goal analysis. We reexamined these put studies (Experiment 1) by introducing a response time-constraint and a spatial contrast between competing referents (a frog on a napkin vs. a frog in a bowl). If listeners immediately interpret on the... as the start of a restrictive modifier, then their eye movements should rapidly converge on the intended referent (the frog on something). However, listeners showed this pattern only when the phrase was unambiguously a Modifier (Put the frog that's on the...). Syntactically ambiguous trials resulted in transient consideration of the Competitor animal (the frog in something). A reading study was also run on the same individuals (Experiment 2) and performance was compared between the two experiments. Those individuals who relied heavily on lexical biases to resolve a complement ambiguity in reading (The man heard/realized the story had been...) showed increased sensitivity to both lexical and contextual constraints in the put-task; i.e., increased consideration of the Goal analysis in 1-Referent Scenes, but also adeptness at using spatial constraints of prepositions (in vs. on) to restrict referential alternatives in 2-Referent Scenes. These findings cross-validate visual world and reading methods and support multiple-constraint theories of sentence processing in which individuals differ in their sensitivity to lexical contingencies.

Binding energy of excitons formed from spatially separated electrons and holes in insulating quantum dots

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

Pokutnyi, S. I., E-mail: pokutnyi-sergey@inbox.ru; Kulchin, Yu. N.; Dzyuba, V. P.

It is found that the binding energy of the ground state of an exciton formed from an electron and a hole spatially separated from each other (the hole is moving within a quantum dot, and the electron is localized above the spherical (quantum dot)–(insulating matrix) interface) in a nanosystem containing insulating Al{sub 2}O{sub 3} quantum dots is substantially increased (by nearly two orders of magnitude) compared to the exciton binding energy in an Al{sub 2}O{sub 3} single crystal. It is established that, in the band gap of an Al{sub 2}O{sub 3} nanoparticle, a band of exciton states (formed from spatiallymore » separated electrons and holes) appears. It is shown that there exists the possibility of experimentally detecting the ground and excited exciton states in the band gap of Al{sub 2}O{sub 3} nanoparticles at room temperature from the absorption spectrum of the nanosystem.« less

Scale-dependent CMB power asymmetry from primordial speed of sound and a generalized δ N formalism

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

Wang, Dong-Gang; Cai, Yi-Fu; Zhao, Wen

2016-02-01

We explore a plausible mechanism that the hemispherical power asymmetry in the CMB is produced by the spatial variation of the primordial sound speed parameter. We suggest that in a generalized approach of the δ N formalism the local e-folding number may depend on some other primordial parameters besides the initial values of inflaton. Here the δ N formalism is extended by considering the effects of a spatially varying sound speed parameter caused by a super-Hubble perturbation of a light field. Using this generalized δ N formalism, we systematically calculate the asymmetric primordial spectrum in the model of multi-speed inflation by taking intomore » account the constraints of primordial non-Gaussianities. We further discuss specific model constraints, and the corresponding asymmetry amplitudes are found to be scale-dependent, which can accommodate current observations of the power asymmetry at different length scales.« less

Use of geographic information systems for applications on gas pipeline rights-of-way

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

Sydelko, P.J.; Wilkey, P.L.

1992-12-01

Geographic information system (GIS) applications for the siting and monitoring of gas pipeline rights-of-way (ROWS) were developed for areas near Rio Vista, California. The data layers developed for this project represent geographic features, such as landcover, elevation, aspect, slope, soils, hydrography, transportation, endangered species, wetlands, and public line surveys. A GIS was used to develop and store spatial data from several sources; to manipulate spatial data to evaluate environmental and engineering issues associated with the siting, permitting, construction, maintenance, and monitoring of gas pipeline ROWS; and to graphically display analysis results. Examples of these applications include (1) determination of environmentallymore » sensitive areas, such as endangered species habitat, wetlands, and areas of highly erosive soils; (2) evaluation of engineering constraints, including shallow depth to bedrock, major hydrographic features, and shallow water table; (3) classification of satellite imagery for landuse/landcover that will affect ROWS; and (4) identification of alternative ROW corridors that avoid environmentally sensitive areas or areas with severe engineering constraints.« less

GIS least-cost analysis approach for siting gas pipeline ROWs

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

Sydelko, P.J.; Wilkey, P.L.

1994-09-01

Geographic-information-system applications for the siting and monitoring of gas pipeline rights-of-way (ROWS) were developed for areas near Rio Vista, California. The data layers developed for this project represent geographic features, such as landcover, elevation, aspect, slope, soils, hydrography, transportation corridors, endangered species habitats, wetlands, and public line surveys. A geographic information system was used to develop and store spatial data from several sources; to manipulate spatial data to evaluate environmental and engineering issues associated with the siting, permitting, construction, maintenance, and monitoring of gas-pipeline ROWS; and to graphically display analysis results. Examples of these applications include (1) determination of environmentallymore » sensitive areas, such as endangered species habitat, wetlands, and areas of highly erosive soils; (2) evaluation of engineering constraints, including shallow depth to bedrock, major hydrographic features, and shallow water table; (3) classification of satellite imagery for landuse/landcover that will affect ROWS; and (4) identification of alternative ROW corridors that avoid environmentally sensitive areas or areas with severe engineering constraints.« less

Use of geographic information systems for applications on gas pipeline rights-of-way

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

Sydelko, P.J.

1993-10-01

Geographic information system (GIS) applications for the siting and monitoring of gas pipeline rights-of-way (ROWS) were developed for areas near Rio Vista, California. The data layers developed for this project represent geographic features, such as landcover, elevation, aspect, slope, soils, hydrography, transportation, endangered species, wetlands, and public line surveys. A GIS was used to develop and store spatial data from several sources; to manipulate spatial data to evaluate environmental and engineering issues associated with the siting, permitting, construction, maintenance, and monitoring of gas pipeline ROWS; and to graphically display analysis results. Examples of these applications include (1) determination of environmentallymore » sensitive areas, such as endangered species habitat, wetlands, and areas of highly erosive soils; (2) evaluation of engineering constraints, including shallow depth to bedrock, major hydrographic features, and shallow water table; (3) classification of satellite imagery for land use/landcover that will affect ROWS; and (4) identification of alternative ROW corridors that avoid environmentally sensitive areas or areas with severe engineering constraints.« less

Use of geographic information systems for applications on gas pipeline rights-of-way

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

Sydelko, P.J.; Wilkey, P.L.

1992-01-01

Geographic information system (GIS) applications for the siting and monitoring of gas pipeline rights-of-way (ROWS) were developed for areas near Rio Vista, California. The data layers developed for this project represent geographic features, such as landcover, elevation, aspect, slope, soils, hydrography, transportation, endangered species, wetlands, and public line surveys. A GIS was used to develop and store spatial data from several sources; to manipulate spatial data to evaluate environmental and engineering issues associated with the siting, permitting, construction, maintenance, and monitoring of gas pipeline ROWS; and to graphically display analysis results. Examples of these applications include (1) determination of environmentallymore » sensitive areas, such as endangered species habitat, wetlands, and areas of highly erosive soils; (2) evaluation of engineering constraints, including shallow depth to bedrock, major hydrographic features, and shallow water table; (3) classification of satellite imagery for landuse/landcover that will affect ROWS; and (4) identification of alternative ROW corridors that avoid environmentally sensitive areas or areas with severe engineering constraints.« less

Observational Constraints on the Unified Dark-Energy Dark-Matter Model

NASA Astrophysics Data System (ADS)

Wu, Pu-Xun; Yu, Hong-Wei

2007-03-01

We investigate the constraints on a generalized Chaplygin gas (GCG) model using the gold sample type-Ia supernovae (Sne Ia) data, the new Supernova Legacy Survey (SNLS) Sne Ia data and the size of baryonic acoustic oscillation peak found in Sloan Digital Sky Survey (SDSS). In a spatially flat universe case we obtain, at a 95.4% confidence level, As = 0.76-0.07+0.07 and α = 0.028-0.238+0.322. Our results are consistent with the ΛCDM model (α = 0), but rule out the standard Chaplygin gas model (α = 1).

Nanohole Arrays of Mixed Designs and Microwriting for Simultaneous and Multiple Protein Binding Studies

PubMed Central

Ji, Jin; Yang, Jiun-Chan; Larson, Dale N.

2009-01-01

We demonstrate using nanohole arrays of mixed designs and a microwriting process based on dip-pen nanolithography to monitor multiple, different protein binding events simultaneously in real time based on the intensity of Extraordinary Optical Transmission of nanohole arrays. The microwriting process and small footprint of the individual nanohole arrays enabled us to observe different binding events located only 16μm apart, achieving high spatial resolution. We also present a novel concept that incorporates nanohole arrays of different designs to improve confidence and accuracy of binding studies. For proof of concept, two types of nanohole arrays, designed to exhibit opposite responses to protein bindings, were fabricated on one transducer. Initial studies indicate that the mixed designs could help to screen out artifacts such as protein intrinsic signals, providing improved accuracy of binding interpretation. PMID:19297143

Spatially explicit assessment of ecosystem services in China's Loess Plateau: Patterns, interactions, drivers, and implications

NASA Astrophysics Data System (ADS)

Jiang, Chong; Zhang, Haiyan; Zhang, Zhidong

2018-02-01

Human demands for natural resources have significantly changed the natural landscape and induced ecological degradation and associated ecosystem services. An understanding of the patterns, interactions, and drivers of ecosystem services is essential for the ecosystem management and guiding targeted land use policy-making. The Losses Plateau (LP) provides ecosystem services including the carbon sequestration and soil retention, and exerts tremendous impacts on the midstream and downstream of the Yellow River. Three dominant ecosystem services between 2000 and 2012 within the LP were presented based on multiple source datasets and biophysical models. In addition, paired ecosystem services interactions were quantified using the correlation analysis and constraint line approach. The main conclusions are as follows. It was observed that the warming and wetting climate and ecological program jointly promoted the vegetation growth and carbon sequestration. The increasing precipitation throughout 2000-2012 was related to the soil retention and hydrological regulation fluctuations. The vegetation restoration played a positive role in the soil retention enhancement, thus substantially reduced water and sediment yields. The relationships between ecosystem services were not only correlations (tradeoffs or synergies), but rather constraint effects. The constraint effects between the three paired ecosystem services could be classified as the negative convex (carbon sequestration vs. hydrological regulation) and hump-shaped (soil retention vs. carbon sequestration and soil retention vs. hydrological regulation), and the coefficients of determination for the entire LP were 0.78, 0.84, and 0.65, respectively. In the LP, the rainfall (water availability) was the key constraint factor that affected the relationships between the paired ecosystem services. The spatially explicit mapping of ecosystem services and interaction analyses utilizing constraint line approach enriched the understanding of connections between ecosystem services and the potential drivers, which had important implications for the land use planning and landscapes services optimizing.

An integrated GIS-based interval-probabilistic programming model for land-use planning management under uncertainty--a case study at Suzhou, China.

PubMed

Lu, Shasha; Zhou, Min; Guan, Xingliang; Tao, Lizao

2015-03-01

A large number of mathematical models have been developed for supporting optimization of land-use allocation; however, few of them simultaneously consider land suitability (e.g., physical features and spatial information) and various uncertainties existing in many factors (e.g., land availabilities, land demands, land-use patterns, and ecological requirements). This paper incorporates geographic information system (GIS) technology into interval-probabilistic programming (IPP) for land-use planning management (IPP-LUPM). GIS is utilized to assemble data for the aggregated land-use alternatives, and IPP is developed for tackling uncertainties presented as discrete intervals and probability distribution. Based on GIS, the suitability maps of different land users are provided by the outcomes of land suitability assessment and spatial analysis. The maximum area of every type of land use obtained from the suitability maps, as well as various objectives/constraints (i.e., land supply, land demand of socioeconomic development, future development strategies, and environmental capacity), is used as input data for the optimization of land-use areas with IPP-LUPM model. The proposed model not only considers the outcomes of land suitability evaluation (i.e., topography, ground conditions, hydrology, and spatial location) but also involves economic factors, food security, and eco-environmental constraints, which can effectively reflect various interrelations among different aspects in a land-use planning management system. The case study results at Suzhou, China, demonstrate that the model can help to examine the reliability of satisfying (or risk of violating) system constraints under uncertainty. Moreover, it may identify the quantitative relationship between land suitability and system benefits. Willingness to arrange the land areas based on the condition of highly suitable land will not only reduce the potential conflicts on the environmental system but also lead to a lower economic benefit. However, a strong desire to develop lower suitable land areas will bring not only a higher economic benefit but also higher risks of violating environmental and ecological constraints. The land manager should make decisions through trade-offs between economic objectives and environmental/ecological objectives.

Maintaining the momentum of Open Search in Earth Science Data discovery

NASA Astrophysics Data System (ADS)

Newman, D. J.; Lynnes, C.

2013-12-01

Federated Search for Earth Observation data has been a hallmark of EOSDIS (Earth Observing System Data and Information System) for two decades. Originally, the EOSDIS Version 0 system provided both data-collection-level and granule/file-level search in the mid 1990s with EOSDIS-specific socket protocols and message formats. Since that time, the advent of several standards has helped to simplify EOSDIS federated search, beginning with HTTP as the transfer protocol. Most recently, OpenSearch (www.opensearch.org) was employed for the EOS Clearinghouse (ECHO), based on a set of conventions that had been developed within the Earth Science Information Partners (ESIP) Federation. The ECHO OpenSearch API has evolved to encompass the ESIP RFC and the Open Geospatial Consortium (OGC) Open Search standard. Uptake of the ECHO Open Search API has been significant and has made ECHO accessible to client developers that found the previous ECHO SOAP API and current REST API too complex. Client adoption of the OpenSearch API appears to be largely driven by the simplicity of the OpenSearch convention. This simplicity is thus important to retain as the standard and convention evolve. For example, ECHO metrics indicate that the vast majority of ECHO users favor the following search criteria when using the REST API, - Spatial - bounding box, polygon, line and point - Temporal - start and end time - Keywords - free text Fewer than 10% of searches use additional constraints, particularly those requiring a controlled vocabulary, such as instrument, sensor, etc. This suggests that ongoing standardization efforts around OpenSearch usage for Earth Observation data may be more productive if oriented toward improving support for the Spatial, Temporal and Keyword search aspects. Areas still requiring improvement include support of - Concrete requirements for keyword constraints - Phrasal search for keyword constraints - Temporal constraint relations - Terminological symmetry between search URLs and response documents for both temporal and spatial terms - Best practices for both servers and clients. Over the past year we have seen several ongoing efforts to further standardize Open Search in the earth science domain such as, - Federation of Earth Science Information Partners (ESIP) - Open Geospatial Consortium (OGC) - Committee on Earth Observation Satellites (CEOS)

The importance of topography-controlled sub-grid process heterogeneity and semi-quantitative prior constraints in distributed hydrological models

NASA Astrophysics Data System (ADS)

Nijzink, Remko C.; Samaniego, Luis; Mai, Juliane; Kumar, Rohini; Thober, Stephan; Zink, Matthias; Schäfer, David; Savenije, Hubert H. G.; Hrachowitz, Markus

2016-03-01

Heterogeneity of landscape features like terrain, soil, and vegetation properties affects the partitioning of water and energy. However, it remains unclear to what extent an explicit representation of this heterogeneity at the sub-grid scale of distributed hydrological models can improve the hydrological consistency and the robustness of such models. In this study, hydrological process complexity arising from sub-grid topography heterogeneity was incorporated into the distributed mesoscale Hydrologic Model (mHM). Seven study catchments across Europe were used to test whether (1) the incorporation of additional sub-grid variability on the basis of landscape-derived response units improves model internal dynamics, (2) the application of semi-quantitative, expert-knowledge-based model constraints reduces model uncertainty, and whether (3) the combined use of sub-grid response units and model constraints improves the spatial transferability of the model. Unconstrained and constrained versions of both the original mHM and mHMtopo, which allows for topography-based sub-grid heterogeneity, were calibrated for each catchment individually following a multi-objective calibration strategy. In addition, four of the study catchments were simultaneously calibrated and their feasible parameter sets were transferred to the remaining three receiver catchments. In a post-calibration evaluation procedure the probabilities of model and transferability improvement, when accounting for sub-grid variability and/or applying expert-knowledge-based model constraints, were assessed on the basis of a set of hydrological signatures. In terms of the Euclidian distance to the optimal model, used as an overall measure of model performance with respect to the individual signatures, the model improvement achieved by introducing sub-grid heterogeneity to mHM in mHMtopo was on average 13 %. The addition of semi-quantitative constraints to mHM and mHMtopo resulted in improvements of 13 and 19 %, respectively, compared to the base case of the unconstrained mHM. Most significant improvements in signature representations were, in particular, achieved for low flow statistics. The application of prior semi-quantitative constraints further improved the partitioning between runoff and evaporative fluxes. In addition, it was shown that suitable semi-quantitative prior constraints in combination with the transfer-function-based regularization approach of mHM can be beneficial for spatial model transferability as the Euclidian distances for the signatures improved on average by 2 %. The effect of semi-quantitative prior constraints combined with topography-guided sub-grid heterogeneity on transferability showed a more variable picture of improvements and deteriorations, but most improvements were observed for low flow statistics.

Games and teams with shared constraints.

PubMed

Kulkarni, Ankur A

2017-08-13

Energy systems of the future are envisaged to encompass multiple interacting autonomous entities. The theory of games provides the foundations for the design and analysis of such systems. This paper reviews models and results that would be of use for such analysis. Classically, games have involved players whose strategies are coupled only through the dependence of utility functions on strategies of other players. However, in many practical settings in the energy domain, system-level limitations bind the choices players can make. In 1965, Rosen ( Econometrica 33 , 520-534 (doi:10.2307/1911749)) pioneered the study of a class of games where there is a common constraint, called a shared constraint , that couples the strategies available to the players. We discuss how this seemingly benign extension has important ramifications, ranging from the very definition of an equilibrium concept, to other key issues such as existence, uniqueness and efficiency of equilibria. We show how the presence of a shared constraint naturally leads to notions of a price and forms the motivations for more recent models. Although most of the paper has the character of a survey, occasionally we also prove new results.This article is part of the themed issue 'Energy management: flexibility, risk and optimization'. © 2017 The Author(s).

The Neck Region of the C-type Lectin DC-SIGN Regulates Its Surface Spatiotemporal Organization and Virus-binding Capacity on Antigen-presenting Cells*

PubMed Central

Manzo, Carlo; Torreno-Pina, Juan A.; Joosten, Ben; Reinieren-Beeren, Inge; Gualda, Emilio J.; Loza-Alvarez, Pablo; Figdor, Carl G.; Garcia-Parajo, Maria F.; Cambi, Alessandra

2012-01-01

The C-type lectin DC-SIGN expressed on dendritic cells (DCs) facilitates capture and internalization of a plethora of different pathogens. Although it is known that DC-SIGN organizes in nanoclusters at the surface of DCs, the molecular mechanisms responsible for this well defined nanopatterning and role in viral binding remain enigmatic. By combining biochemical and advanced biophysical techniques, including optical superresolution and single particle tracking, we demonstrate that DC-SIGN intrinsic nanoclustering strictly depends on its molecular structure. DC-SIGN nanoclusters exhibited free, Brownian diffusion on the cell membrane. Truncation of the extracellular neck region, known to abrogate tetramerization, significantly reduced nanoclustering and concomitantly increased lateral diffusion. Importantly, DC-SIGN nanocluster dissolution exclusively compromised binding to nanoscale size pathogens. Monte Carlo simulations revealed that heterogeneity on nanocluster density and spatial distribution confers broader binding capabilities to DC-SIGN. As such, our results underscore a direct relationship between spatial nanopatterning, driven by intermolecular interactions between the neck regions, and receptor diffusion to provide DC-SIGN with the exquisite ability to dock pathogens at the virus length scale. Insight into how virus receptors are organized prior to virus binding and how they assemble into functional platforms for virus docking is helpful to develop novel strategies to prevent virus entry and infection. PMID:23019323

Heme impairs the ball-and-chain inactivation of potassium channels.

PubMed

Sahoo, Nirakar; Goradia, Nishit; Ohlenschläger, Oliver; Schönherr, Roland; Friedrich, Manfred; Plass, Winfried; Kappl, Reinhard; Hoshi, Toshinori; Heinemann, Stefan H

2013-10-15

Fine-tuned regulation of K(+) channel inactivation enables excitable cells to adjust action potential firing. Fast inactivation present in some K(+) channels is mediated by the distal N-terminal structure (ball) occluding the ion permeation pathway. Here we show that Kv1.4 K(+) channels are potently regulated by intracellular free heme; heme binds to the N-terminal inactivation domain and thereby impairs the inactivation process, thus enhancing the K(+) current with an apparent EC50 value of ∼20 nM. Functional studies on channel mutants and structural investigations on recombinant inactivation ball domain peptides encompassing the first 61 residues of Kv1.4 revealed a heme-responsive binding motif involving Cys13:His16 and a secondary histidine at position 35. Heme binding to the N-terminal inactivation domain induces a conformational constraint that prevents it from reaching its receptor site at the vestibule of the channel pore.

CONSTRAINTS ON SPATIAL VARIATIONS IN THE FINE-STRUCTURE CONSTANT FROM PLANCK

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

O'Bryan, Jon; Smidt, Joseph; De Bernardis, Francesco

2015-01-01

We use the cosmic microwave background (CMB) anisotropy data from Planck to constrain the spatial fluctuations of the fine-structure constant α at a redshift of 1100. We use a quadratic estimator to measure the four-point correlation function of the CMB temperature anisotropies and extract the angular power spectrum fine-structure constant spatial variations projected along the line of sight at the last scattering surface. At tens of degree angular scales and above, we constrain the fractional rms fluctuations of the fine-structure constant to be (δα/α){sub rms} < 3.4 × 10{sup –3} at the 68% confidence level. We find no evidence formore » a spatially varying α at a redshift of 10{sup 3}.« less

Structure of the Response Regulator PhoP from Mycobacterium tuberculosis Reveals a Dimer Through the Receiver Domain

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

S Menon; S Wang

The PhoP protein from Mycobacterium tuberculosis is a response regulator of the OmpR/PhoB subfamily, whose structure consists of an N-terminal receiver domain and a C-terminal DNA-binding domain. How the DNA-binding activities are regulated by phosphorylation of the receiver domain remains unclear due to a lack of structural information on the full-length proteins. Here we report the crystal structure of the full-length PhoP of M. tuberculosis. Unlike other known structures of full-length proteins of the same subfamily, PhoP forms a dimer through its receiver domain with the dimer interface involving {alpha}4-{beta}5-{alpha}5, a common interface for activated receiver domain dimers. However, themore » switch residues, Thr99 and Tyr118, are in a conformation resembling those of nonactivated receiver domains. The Tyr118 side chain is involved in the dimer interface interactions. The receiver domain is tethered to the DNA-binding domain through a flexible linker and does not impose structural constraints on the DNA-binding domain. This structure suggests that phosphorylation likely facilitates/stabilizes receiver domain dimerization, bringing the DNA-binding domains to close proximity, thereby increasing their binding affinity for direct repeat DNA sequences.« less

Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics.

PubMed

Ranjan, Prabodh; Kumar, Sivakumar Prasanth; Kari, Vijayakrishna; Jha, Prakash Chandra

2017-06-01

Numerous studies postulated the possible modes of anthelmintic activity by targeting alternate or extended regions of colchicine binding domain of helminth β-tubulin. We present three interaction zones (zones vide -1 to -3) in the colchicine binding domain of Haemonchus contortus (a helminth) β-tubulin homology model and developed zone-wise structure-based pharmacophore models coupled with molecular docking technique to unveil the binding hypotheses. The resulted ten structure-based hypotheses were then refined to essential three point pharmacophore features that captured recurring and crucial non-covalent receptor contacts and proposed three characteristics necessary for optimal zone-2 binding: a conserved pair of H bond acceptor (HBA to form H bond with Asn226 residue) and an aliphatic moiety of molecule separated by 3.75±0.44Å. Further, an aliphatic or a heterocyclic group distant (11.75±1.14Å) to the conserved aliphatic site formed the third feature component in the zone-2 specific anthelmintic pharmacophore model. Alternatively, an additional HBA can be substituted as a third component to establish H bonding with Asn204. We discern that selective zone-2 anthelmintics can be designed effectively by closely adapting the pharmacophore feature patterns and its geometrical constraints. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effects of long-term fluid injection on induced seismicity parameters and maximum magnitude in northwestern part of The Geysers geothermal field

NASA Astrophysics Data System (ADS)

Kwiatek, Grzegorz; Martínez-Garzón, Patricia; Dresen, Georg; Bohnhoff, Marco; Sone, Hiroki; Hartline, Craig

2015-10-01

The long-term temporal and spatial changes in statistical, source, and stress characteristics of one cluster of induced seismicity recorded at The Geysers geothermal field (U.S.) are analyzed in relation to the field operations, fluid migration, and constraints on the maximum likely magnitude. Two injection wells, Prati-9 and Prati-29, located in the northwestern part of the field and their associated seismicity composed of 1776 events recorded throughout a 7 year period were analyzed. The seismicity catalog was relocated, and the source characteristics including focal mechanisms and static source parameters were refined using first-motion polarity, spectral fitting, and mesh spectral ratio analysis techniques. The source characteristics together with statistical parameters (b value) and cluster dynamics were used to investigate and understand the details of fluid migration scheme in the vicinity of injection wells. The observed temporal, spatial, and source characteristics were clearly attributed to fluid injection and fluid migration toward greater depths, involving increasing pore pressure in the reservoir. The seasonal changes of injection rates were found to directly impact the shape and spatial extent of the seismic cloud. A tendency of larger seismic events to occur closer to injection wells and a correlation between the spatial extent of the seismic cloud and source sizes of the largest events was observed suggesting geometrical constraints on the maximum likely magnitude and its correlation to the average injection rate and volume of fluids present in the reservoir.

Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical Framework.

PubMed

Giovannelli, Edoardo; Procacci, Piero; Cardini, Gianni; Pagliai, Marco; Volkov, Victor; Chelli, Riccardo

2017-12-12

The fast-switching decoupling method is a powerful nonequilibrium technique to compute absolute binding free energies of ligand-receptor complexes (Sandberg et al., J. Chem. Theory Comput. 2014, 11, 423-435). Inspired by the theory of noncovalent binding association of Gilson and co-workers (Biophys. J. 1997, 72, 1047-1069), we develop two approaches, termed binded-domain and single-point alchemical-path schemes (BiD-AP and SiP-AP), based on the possibility of performing alchemical trajectories during which the ligand is constrained to fixed positions relative to the receptor. The BiD-AP scheme exploits a recent generalization of nonequilibrium work theorems to estimate the free energy difference between the coupled and uncoupled states of the ligand-receptor complex. With respect to the fast-switching decoupling method without constraints, BiD-AP prevents the ligand from leaving the binding site, but still requires an estimate of the positional binding-site volume, which may not be a simple task. On the other side, the SiP-AP scheme allows avoidance of the calculation of the binding-site volume by introducing an additional equilibrium simulation of ligand and receptor in the bound state. In the companion article (DOI: 10.1021/acs.jctc.7b00595), we show that the extra computational effort required by SiP-AP leads to a significant improvement of accuracy in the free energy estimates.

Terrestrial Environmental Variables Derived From EOS Platform Sensors

NASA Technical Reports Server (NTRS)

Stadler, Stephen J.; Czajkowski, Kevin P.; Goward, Samuel N.; Xue, Yongkang

2001-01-01

The three main objectives of the overall project were: 1. Adaptation of environmental constraint methods to take advantage of EOS sensors, specifically, MODIS, ASTER, and Landsat-7, in addition to the PM AVHRR observations 2. Refinement of environmental constraint methods based on fundamental scientific knowledge. 3. Assessment of spatial scaling patterns in environmental constraint measurements to evaluate the potential biases and errors that occur when estimating regional and global-scale NPP patterns with moderate to coarse satellite observations. These goals were modified because, on one hand, MODIS data did not become available until after the first year of the project and because of project staffing issues at the University of Maryland., The OSU portion of the project contained a modest amount of funding and responsibility compared to the University of Maryland and the University of Toledo.

Prototype Flight Management Capabilities to Explore Temporal RNP Concepts

NASA Technical Reports Server (NTRS)

Ballin, Mark G.; Williams, David H.; Allen, Bonnie Danette; Palmer, Michael T.

2008-01-01

Next Generation Air Transportation System (NextGen) concepts of operation may require aircraft to fly planned trajectories in four dimensions three spatial dimensions and time. A prototype 4D flight management capability is being developed by NASA to facilitate the development of these concepts. New trajectory generation functions extend today's flight management system (FMS) capabilities that meet a single Required Time of Arrival (RTA) to trajectory solutions that comply with multiple RTA constraints. When a solution is not possible, a constraint management capability relaxes constraints to achieve a trajectory solution that meets the most important constraints as specified by candidate NextGen concepts. New flight guidance functions provide continuous guidance to the aircraft s flight control system to enable it to fly specified 4D trajectories. Guidance options developed for research investigations include a moving time window with varying tolerances that are a function of proximity to imposed constraints, and guidance that recalculates the aircraft s planned trajectory as a function of the estimation of current compliance. Compliance tolerances are related to required navigation performance (RNP) through the extension of existing RNP concepts for lateral containment. A conceptual temporal RNP implementation and prototype display symbology are proposed.

Reactivation of mutant p53: Constraints on mechanism highlighted by principal component analysis of the DNA binding domain.

PubMed

Ouaray, Zahra; ElSawy, Karim M; Lane, David P; Essex, Jonathan W; Verma, Chandra

2016-10-01

Most p53 mutations associated with cancer are located in its DNA binding domain (DBD). Many structures (X-ray and NMR) of this domain are available in the protein data bank (PDB) and a vast conformational heterogeneity characterizes the various free and complexed states. The major difference between the apo and the holo-complexed states appears to lie in the L1 loop. In particular, the conformations of this loop appear to depend intimately on the sequence of DNA to which it binds. This conclusion builds upon recent observations that implicate the tetramerization and the C-terminal domains (respectively TD and Cter) in DNA binding specificity. Detailed PCA analysis of the most recent collection of DBD structures from the PDB have been carried out. In contrast to recommendations that small molecules/drugs stabilize the flexible L1 loop to rescue mutant p53, our study highlights a need to retain the flexibility of the p53 DNA binding surface (DBS). It is the adaptability of this region that enables p53 to engage in the diverse interactions responsible for its functionality. Proteins 2016; 84:1443-1461. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Locked and proteolysis-based transcription activator-like effector (TALE) regulation.

PubMed

Lonzarić, Jan; Lebar, Tina; Majerle, Andreja; Manček-Keber, Mateja; Jerala, Roman

2016-02-18

Development of orthogonal, designable and adjustable transcriptional regulators is an important goal of synthetic biology. Their activity has been typically modulated through stimulus-induced oligomerization or interaction between the DNA-binding and activation/repression domain. We exploited a feature of the designable Transcription activator-like effector (TALE) DNA-binding domain that it winds around the DNA which allows to topologically prevent it from binding by intramolecular cyclization. This new approach was investigated through noncovalent ligand-induced cyclization or through a covalent split intein cyclization strategy, where the topological inhibition of DNA binding by cyclization and its restoration by a proteolytic release of the topologic constraint was expected. We show that locked TALEs indeed have diminished DNA binding and regain full transcriptional activity by stimulation with the rapamycin ligand or site-specific proteolysis of the peptide linker, with much higher level of activation than rapamycin-induced heterodimerization. Additionally, we demonstrated reversibility, activation of genomic targets and implemented logic gates based on combinations of protein cyclization, proteolytic cleavage and ligand-induced dimerization, where the strongest fold induction was achieved by the proteolytic cleavage of a repression domain from a linear TALE. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Physical constraints determine the logic of bacterial promoter architectures

PubMed Central

Ezer, Daphne; Zabet, Nicolae Radu; Adryan, Boris

2014-01-01

Site-specific transcription factors (TFs) bind to their target sites on the DNA, where they regulate the rate at which genes are transcribed. Bacterial TFs undergo facilitated diffusion (a combination of 3D diffusion around and 1D random walk on the DNA) when searching for their target sites. Using computer simulations of this search process, we show that the organization of the binding sites, in conjunction with TF copy number and binding site affinity, plays an important role in determining not only the steady state of promoter occupancy, but also the order at which TFs bind. These effects can be captured by facilitated diffusion-based models, but not by standard thermodynamics. We show that the spacing of binding sites encodes complex logic, which can be derived from combinations of three basic building blocks: switches, barriers and clusters, whose response alone and in higher orders of organization we characterize in detail. Effective promoter organizations are commonly found in the E. coli genome and are highly conserved between strains. This will allow studies of gene regulation at a previously unprecedented level of detail, where our framework can create testable hypothesis of promoter logic. PMID:24476912

Entropy of Movement Outcome in Space-Time.

PubMed

Lai, Shih-Chiung; Hsieh, Tsung-Yu; Newell, Karl M

2015-07-01

Information entropy of the joint spatial and temporal (space-time) probability of discrete movement outcome was investigated in two experiments as a function of different movement strategies (space-time, space, and time instructional emphases), task goals (point-aiming and target-aiming) and movement speed-accuracy constraints. The variance of the movement spatial and temporal errors was reduced by instructional emphasis on the respective spatial or temporal dimension, but increased on the other dimension. The space-time entropy was lower in targetaiming task than the point aiming task but did not differ between instructional emphases. However, the joint probabilistic measure of spatial and temporal entropy showed that spatial error is traded for timing error in tasks with space-time criteria and that the pattern of movement error depends on the dimension of the measurement process. The unified entropy measure of movement outcome in space-time reveals a new relation for the speed-accuracy.

Communication: Slow relaxation, spatial mobility gradients, and vitrification in confined films.

PubMed

Mirigian, Stephen; Schweizer, Kenneth S

2014-10-28

Two decades of experimental research indicate that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding remains elusive given the generic complexity of activated relaxation in supercooled liquids and the major complications of geometric confinement, interfacial effects, and spatial inhomogeneity. We construct a predictive, quantitative, force-level theory of relaxation in free-standing films for the central question of the nature of the spatial mobility gradient. The key new idea is that vapor interfaces speed up barrier hopping in two distinct, but coupled, ways by reducing near surface local caging constraints and spatially long range collective elastic distortion. Effective vitrification temperatures, dynamic length scales, and mobile layer thicknesses naturally follow. Our results provide a unified basis for central observations of dynamic and pseudo-thermodynamic measurements.

Novel Near-Lossless Compression Algorithm for Medical Sequence Images with Adaptive Block-Based Spatial Prediction.

PubMed

Song, Xiaoying; Huang, Qijun; Chang, Sheng; He, Jin; Wang, Hao

2016-12-01

To address the low compression efficiency of lossless compression and the low image quality of general near-lossless compression, a novel near-lossless compression algorithm based on adaptive spatial prediction is proposed for medical sequence images for possible diagnostic use in this paper. The proposed method employs adaptive block size-based spatial prediction to predict blocks directly in the spatial domain and Lossless Hadamard Transform before quantization to improve the quality of reconstructed images. The block-based prediction breaks the pixel neighborhood constraint and takes full advantage of the local spatial correlations found in medical images. The adaptive block size guarantees a more rational division of images and the improved use of the local structure. The results indicate that the proposed algorithm can efficiently compress medical images and produces a better peak signal-to-noise ratio (PSNR) under the same pre-defined distortion than other near-lossless methods.

Model of human visual-motion sensing

NASA Technical Reports Server (NTRS)

Watson, A. B.; Ahumada, A. J., Jr.

1985-01-01

A model of how humans sense the velocity of moving images is proposed. The model exploits constraints provided by human psychophysics, notably that motion-sensing elements appear tuned for two-dimensional spatial frequency, and by the frequency spectrum of a moving image, namely, that its support lies in the plane in which the temporal frequency equals the dot product of the spatial frequency and the image velocity. The first stage of the model is a set of spatial-frequency-tuned, direction-selective linear sensors. The temporal frequency of the response of each sensor is shown to encode the component of the image velocity in the sensor direction. At the second stage, these components are resolved in order to measure the velocity of image motion at each of a number of spatial locations and spatial frequencies. The model has been applied to several illustrative examples, including apparent motion, coherent gratings, and natural image sequences. The model agrees qualitatively with human perception.

Communication: slow relaxation, spatial mobility gradients, and vitrification in confined films

DOE PAGES

Mirigian, Stephen; Schweizer, Kenneth S.

2014-10-31

Two decades of experimental research indicate that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding remains elusive given the generic complexity of activated relaxation in supercooled liquids and the major complications of geometric confinement, interfacial effects, and spatial inhomogeneity. For this research, we construct a predictive, quantitative, force-level theory of relaxation in free-standing films for the central question of the nature of the spatial mobility gradient. The key new idea is that vapor interfaces speed up barrier hopping in two distinct, but coupled, waysmore » by reducing near surface local caging constraints and spatially long range collective elastic distortion. Effective vitrification temperatures, dynamic length scales, and mobile layer thicknesses naturally follow. In conclusion, our results provide a unified basis for central observations of dynamic and pseudo-thermodynamic measurements.« less

Need for improved methods to collect and present spatial epidemiologic data for vectorborne diseases.

PubMed

Eisen, Lars; Eisen, Rebecca J

2007-12-01

Improved methods for collection and presentation of spatial epidemiologic data are needed for vectorborne diseases in the United States. Lack of reliable data for probable pathogen exposure site has emerged as a major obstacle to the development of predictive spatial risk models. Although plague case investigations can serve as a model for how to ideally generate needed information, this comprehensive approach is cost-prohibitive for more common and less severe diseases. New methods are urgently needed to determine probable pathogen exposure sites that will yield reliable results while taking into account economic and time constraints of the public health system and attending physicians. Recent data demonstrate the need for a change from use of the county spatial unit for presentation of incidence of vectorborne diseases to more precise ZIP code or census tract scales. Such fine-scale spatial risk patterns can be communicated to the public and medical community through Web-mapping approaches.

Enhancing molecular logic through modulation of temporal and spatial constraints with quantum dot-based systems that use fluorescent (Förster) resonance energy transfer

NASA Astrophysics Data System (ADS)

Claussen, Jonathan C.; Algar, W. Russ; Hildebrandt, Niko; Susumu, Kimihiro; Ancona, Mario G.; Medintz, Igor L.

2013-10-01

Luminescent semiconductor nanocrystals or quantum dots (QDs) contain favorable photonic properties (e.g., resistance to photobleaching, size-tunable PL, and large effective Stokes shifts) that make them well-suited for fluorescence (Förster) resonance energy transfer (FRET) based applications including monitoring proteolytic activity, elucidating the effects of nanoparticles-mediated drug delivery, and analyzing the spatial and temporal dynamics of cellular biochemical processes. Herein, we demonstrate how unique considerations of temporal and spatial constraints can be used in conjunction with QD-FRET systems to open up new avenues of scientific discovery in information processing and molecular logic circuitry. For example, by conjugating both long lifetime luminescent terbium(III) complexes (Tb) and fluorescent dyes (A647) to a single QD, we can create multiple FRET lanes that change temporally as the QD acts as both an acceptor and donor at distinct time intervals. Such temporal FRET modulation creates multi-step FRET cascades that produce a wealth of unique photoluminescence (PL) spectra that are well-suited for the construction of a photonic alphabet and photonic logic circuits. These research advances in bio-based molecular logic open the door to future applications including multiplexed biosensing and drug delivery for disease diagnostics and treatment.

Delayed Response and Biosonar Perception Explain Movement Coordination in Trawling Bats

PubMed Central

Giuggioli, Luca; McKetterick, Thomas J.; Holderied, Marc

2015-01-01

Animal coordinated movement interactions are commonly explained by assuming unspecified social forces of attraction, repulsion and alignment with parameters drawn from observed movement data. Here we propose and test a biologically realistic and quantifiable biosonar movement interaction mechanism for echolocating bats based on spatial perceptual bias, i.e. actual sound field, a reaction delay, and observed motor constraints in speed and acceleration. We found that foraging pairs of bats flying over a water surface swapped leader-follower roles and performed chases or coordinated manoeuvres by copying the heading a nearby individual has had up to 500 ms earlier. Our proposed mechanism based on the interplay between sensory-motor constraints and delayed alignment was able to recreate the observed spatial actor-reactor patterns. Remarkably, when we varied model parameters (response delay, hearing threshold and echolocation directionality) beyond those observed in nature, the spatio-temporal interaction patterns created by the model only recreated the observed interactions, i.e. chases, and best matched the observed spatial patterns for just those response delays, hearing thresholds and echolocation directionalities found to be used by bats. This supports the validity of our sensory ecology approach of movement coordination, where interacting bats localise each other by active echolocation rather than eavesdropping. PMID:25811627

Limitations of the ideal phase-Doppler system: Extension to spatially and temporally inhomogeneous particle flows with an application to diesel sprays

NASA Astrophysics Data System (ADS)

Marx, K. D.; Edwards, C. F.

1992-12-01

The effect of the single-particle constraint on the response of phase-Doppler instruments is determined for particle flows which are spatially nonuniform and time-dependent. Poisson statistics are applied to particle positions and arrival times within the phase-Doppler probe volume to determine the probability that a particle is measured successfully. It is shown that the single-particle constraint can be viewed as applying spatial and temporal filters to the particle flow. These filters have the same meaning as those that were defined previously for uniform, steady-state sprays, but in space- and time-dependent form. Criteria are developed for determining when a fully inhomogeneous analysis of a flow is required and when a quasi-steady analysis will suffice. A new bias due to particle arrival time displacement is identified and the conditions under which it must be considered are established. The present work provides the means to rigorously investigate the response of phase-Doppler measurement systems to transient sprays such as those which occur in diesel engines. To this end, the results are applied to a numerical simulation of a diesel spray. The calculated hypothetical response of the ideal instrument provides a quantitative demonstration of the regimes within which measurements can accurately be made in such sprays.

USING GIS TO GENERATE SPATIALLY-BALANCED RANDOM SURVEY DESIGNS FOR NATURAL RESOURCE APPLICATIONS

EPA Science Inventory

Sampling of a population is frequently required to understand trends and patterns in natural resource management because financial and time constraints preclude a complete census. A rigorous probability-based survey design specifies where to sample so that inferences from the sam...

CLIMATE CONSTRAINTS AND ISSUES OF SCALE CONTROLLING REGIONAL BIOMES

EPA Science Inventory

The prosepct of climate change threatens to cause large changes in regional biomes. hese effects could be in the form of qualitative changes within biomes, as well as spatial changes in the boundaries of biomes. he boundaries, or ecotones, between biomes have been suggested as po...

Superpixel-Augmented Endmember Detection for Hyperspectral Images

NASA Technical Reports Server (NTRS)

Thompson, David R.; Castano, Rebecca; Gilmore, Martha

2011-01-01

Superpixels are homogeneous image regions comprised of several contiguous pixels. They are produced by shattering the image into contiguous, homogeneous regions that each cover between 20 and 100 image pixels. The segmentation aims for a many-to-one mapping from superpixels to image features; each image feature could contain several superpixels, but each superpixel occupies no more than one image feature. This conservative segmentation is relatively easy to automate in a robust fashion. Superpixel processing is related to the more general idea of improving hyperspectral analysis through spatial constraints, which can recognize subtle features at or below the level of noise by exploiting the fact that their spectral signatures are found in neighboring pixels. Recent work has explored spatial constraints for endmember extraction, showing significant advantages over techniques that ignore pixels relative positions. Methods such as AMEE (automated morphological endmember extraction) express spatial influence using fixed isometric relationships a local square window or Euclidean distance in pixel coordinates. In other words, two pixels covariances are based on their spatial proximity, but are independent of their absolute location in the scene. These isometric spatial constraints are most appropriate when spectral variation is smooth and constant over the image. Superpixels are simple to implement, efficient to compute, and are empirically effective. They can be used as a preprocessing step with any desired endmember extraction technique. Superpixels also have a solid theoretical basis in the hyperspectral linear mixing model, making them a principled approach for improving endmember extraction. Unlike existing approaches, superpixels can accommodate non-isometric covariance between image pixels (characteristic of discrete image features separated by step discontinuities). These kinds of image features are common in natural scenes. Analysts can substitute superpixels for image pixels during endmember analysis that leverages the spatial contiguity of scene features to enhance subtle spectral features. Superpixels define populations of image pixels that are independent samples from each image feature, permitting robust estimation of spectral properties, and reducing measurement noise in proportion to the area of the superpixel. This permits improved endmember extraction, and enables automated search for novel and constituent minerals in very noisy, hyperspatial images. This innovation begins with a graph-based segmentation based on the work of Felzenszwalb et al., but then expands their approach to the hyperspectral image domain with a Euclidean distance metric. Then, the mean spectrum of each segment is computed, and the resulting data cloud is used as input into sequential maximum angle convex cone (SMACC) endmember extraction.

Modeling Conformational Transitions and Energetics of Ligand Binding with the Glutamate Receptor Ligand Binding Domain

NASA Astrophysics Data System (ADS)

Kurnikova, Maria

2009-03-01

Understanding of protein motion and energetics of conformational transitions is crucial to understanding protein function. The glutamate receptor ligand binding domain (GluR2 S1S2) is a two lobe protein, which binds ligand at the interface of two lobes and undergoes conformational transition. The cleft closure conformational transition of S1S2 has been implicated in gating of the ion channel formed by the transmembrane domain of the receptor. In this study we present a composite multi-faceted theoretical analysis of the detailed mechanism of this conformational transition based on rigid cluster decomposition of the protein structure [1] and identifying hydrogen bonds that are responsible for stabilizing the closed conformation [2]. Free energy of the protein reorganization upon ligand binding was calculated using combined Thermodynamic Integration (TI) and Umbrella Sampling (US) simulations [3]. Ligand -- protein interactions in the binding cleft were analyzed using Molecular Dynamics, continuum electrostatics and QM/MM models [4]. All model calculations compare well with corresponding experimental measurements. [4pt] [1] Protein Flexibility using Constraints from Molecular Dynamics Simulations T. Mamonova, B. Hespenheide, R. Straub, M. F. Thorpe, M. G. Kurnikova , Phys. Biol., 2, S137 (2005)[0pt] [2] Theoretical Study of the Glutamate Receptor Ligand Binding Domain Flexibility and Conformational Reorganization T. Mamonova, K. Speranskiy, and M. Kurnikova , Prot.: Struct., Func., Bioinf., 73,656 (2008)[0pt] [3] Energetics of the cleft closing transition and glutamate binding in the Glutamate Receptor ligand Binding Domain T. Mamonova, M. Yonkunas, and M. Kurnikova Biochemistry 47, 11077 (2008)[0pt] [4] On the Binding Determinants of the Glutamate Agonist with the Glutamate Receptor Ligand Binding Domain K. Speranskiy and M. Kurnikova Biochemistry 44, 11208 (2005)

Prediction of the binding affinities of peptides to class II MHC using a regularized thermodynamic model

PubMed Central

2010-01-01

Background The binding of peptide fragments of extracellular peptides to class II MHC is a crucial event in the adaptive immune response. Each MHC allotype generally binds a distinct subset of peptides and the enormous number of possible peptide epitopes prevents their complete experimental characterization. Computational methods can utilize the limited experimental data to predict the binding affinities of peptides to class II MHC. Results We have developed the Regularized Thermodynamic Average, or RTA, method for predicting the affinities of peptides binding to class II MHC. RTA accounts for all possible peptide binding conformations using a thermodynamic average and includes a parameter constraint for regularization to improve accuracy on novel data. RTA was shown to achieve higher accuracy, as measured by AUC, than SMM-align on the same data for all 17 MHC allotypes examined. RTA also gave the highest accuracy on all but three allotypes when compared with results from 9 different prediction methods applied to the same data. In addition, the method correctly predicted the peptide binding register of 17 out of 18 peptide-MHC complexes. Finally, we found that suboptimal peptide binding registers, which are often ignored in other prediction methods, made significant contributions of at least 50% of the total binding energy for approximately 20% of the peptides. Conclusions The RTA method accurately predicts peptide binding affinities to class II MHC and accounts for multiple peptide binding registers while reducing overfitting through regularization. The method has potential applications in vaccine design and in understanding autoimmune disorders. A web server implementing the RTA prediction method is available at http://bordnerlab.org/RTA/. PMID:20089173

Opposing Functions of the ETS Factor Family Define Shh Spatial Expression in Limb Buds and Underlie Polydactyly

PubMed Central

Lettice, Laura A.; Williamson, Iain; Wiltshire, John H.; Peluso, Silvia; Devenney, Paul S.; Hill, Alison E.; Essafi, Abdelkader; Hagman, James; Mort, Richard; Grimes, Graeme; DeAngelis, Carlo L.; Hill, Robert E.

2012-01-01

Summary Sonic hedgehog (Shh) expression during limb development is crucial for specifying the identity and number of digits. The spatial pattern of Shh expression is restricted to a region called the zone of polarizing activity (ZPA), and this expression is controlled from a long distance by the cis-regulator ZRS. Here, members of two groups of ETS transcription factors are shown to act directly at the ZRS mediating a differential effect on Shh, defining its spatial expression pattern. Occupancy at multiple GABPα/ETS1 sites regulates the position of the ZPA boundary, whereas ETV4/ETV5 binding restricts expression outside the ZPA. The ETS gene family is therefore attributed with specifying the boundaries of the classical ZPA. Two point mutations within the ZRS change the profile of ETS binding and activate Shh expression at an ectopic site in the limb bud. These molecular changes define a pathogenetic mechanism that leads to preaxial polydactyly (PPD). PMID:22340503

Putting Climate Adaptation on the Map: Developing Spatial Management Strategies for Whitebark Pine in the Greater Yellowstone Ecosystem.

PubMed

Ireland, Kathryn B; Hansen, Andrew J; Keane, Robert E; Legg, Kristin; Gump, Robert L

2018-06-01

Natural resource managers face the need to develop strategies to adapt to projected future climates. Few existing climate adaptation frameworks prescribe where to place management actions to be most effective under anticipated future climate conditions. We developed an approach to spatially allocate climate adaptation actions and applied the method to whitebark pine (WBP; Pinus albicaulis) in the Greater Yellowstone Ecosystem (GYE). WBP is expected to be vulnerable to climate-mediated shifts in suitable habitat, pests, pathogens, and fire. We spatially prioritized management actions aimed at mitigating climate impacts to WBP under two management strategies: (1) current management and (2) climate-informed management. The current strategy reflected management actions permissible under existing policy and access constraints. Our goal was to understand how consideration of climate might alter the placement of management actions, so the climate-informed strategies did not include these constraints. The spatial distribution of actions differed among the current and climate-informed management strategies, with 33-60% more wilderness area prioritized for action under climate-informed management. High priority areas for implementing management actions include the 1-8% of the GYE where current and climate-informed management agreed, since this is where actions are most likely to be successful in the long-term and where current management permits implementation. Areas where climate-informed strategies agreed with one another but not with current management (6-22% of the GYE) are potential locations for experimental testing of management actions. Our method for spatial climate adaptation planning is applicable to any species for which information regarding climate vulnerability and climate-mediated risk factors is available.

Putting Climate Adaptation on the Map: Developing Spatial Management Strategies for Whitebark Pine in the Greater Yellowstone Ecosystem

NASA Astrophysics Data System (ADS)

Ireland, Kathryn B.; Hansen, Andrew J.; Keane, Robert E.; Legg, Kristin; Gump, Robert L.

2018-06-01

Natural resource managers face the need to develop strategies to adapt to projected future climates. Few existing climate adaptation frameworks prescribe where to place management actions to be most effective under anticipated future climate conditions. We developed an approach to spatially allocate climate adaptation actions and applied the method to whitebark pine (WBP; Pinus albicaulis) in the Greater Yellowstone Ecosystem (GYE). WBP is expected to be vulnerable to climate-mediated shifts in suitable habitat, pests, pathogens, and fire. We spatially prioritized management actions aimed at mitigating climate impacts to WBP under two management strategies: (1) current management and (2) climate-informed management. The current strategy reflected management actions permissible under existing policy and access constraints. Our goal was to understand how consideration of climate might alter the placement of management actions, so the climate-informed strategies did not include these constraints. The spatial distribution of actions differed among the current and climate-informed management strategies, with 33-60% more wilderness area prioritized for action under climate-informed management. High priority areas for implementing management actions include the 1-8% of the GYE where current and climate-informed management agreed, since this is where actions are most likely to be successful in the long-term and where current management permits implementation. Areas where climate-informed strategies agreed with one another but not with current management (6-22% of the GYE) are potential locations for experimental testing of management actions. Our method for spatial climate adaptation planning is applicable to any species for which information regarding climate vulnerability and climate-mediated risk factors is available.

Evaluating an image-fusion algorithm with synthetic-image-generation tools

NASA Astrophysics Data System (ADS)

Gross, Harry N.; Schott, John R.

1996-06-01

An algorithm that combines spectral mixing and nonlinear optimization is used to fuse multiresolution images. Image fusion merges images of different spatial and spectral resolutions to create a high spatial resolution multispectral combination. High spectral resolution allows identification of materials in the scene, while high spatial resolution locates those materials. In this algorithm, conventional spectral mixing estimates the percentage of each material (called endmembers) within each low resolution pixel. Three spectral mixing models are compared; unconstrained, partially constrained, and fully constrained. In the partially constrained application, the endmember fractions are required to sum to one. In the fully constrained application, all fractions are additionally required to lie between zero and one. While negative fractions seem inappropriate, they can arise from random spectral realizations of the materials. In the second part of the algorithm, the low resolution fractions are used as inputs to a constrained nonlinear optimization that calculates the endmember fractions for the high resolution pixels. The constraints mirror the low resolution constraints and maintain consistency with the low resolution fraction results. The algorithm can use one or more higher resolution sharpening images to locate the endmembers to high spatial accuracy. The algorithm was evaluated with synthetic image generation (SIG) tools. A SIG developed image can be used to control the various error sources that are likely to impair the algorithm performance. These error sources include atmospheric effects, mismodeled spectral endmembers, and variability in topography and illumination. By controlling the introduction of these errors, the robustness of the algorithm can be studied and improved upon. The motivation for this research is to take advantage of the next generation of multi/hyperspectral sensors. Although the hyperspectral images will be of modest to low resolution, fusing them with high resolution sharpening images will produce a higher spatial resolution land cover or material map.

Accelerated high-resolution photoacoustic tomography via compressed sensing

NASA Astrophysics Data System (ADS)

Arridge, Simon; Beard, Paul; Betcke, Marta; Cox, Ben; Huynh, Nam; Lucka, Felix; Ogunlade, Olumide; Zhang, Edward

2016-12-01

Current 3D photoacoustic tomography (PAT) systems offer either high image quality or high frame rates but are not able to deliver high spatial and temporal resolution simultaneously, which limits their ability to image dynamic processes in living tissue (4D PAT). A particular example is the planar Fabry-Pérot (FP) photoacoustic scanner, which yields high-resolution 3D images but takes several minutes to sequentially map the incident photoacoustic field on the 2D sensor plane, point-by-point. However, as the spatio-temporal complexity of many absorbing tissue structures is rather low, the data recorded in such a conventional, regularly sampled fashion is often highly redundant. We demonstrate that combining model-based, variational image reconstruction methods using spatial sparsity constraints with the development of novel PAT acquisition systems capable of sub-sampling the acoustic wave field can dramatically increase the acquisition speed while maintaining a good spatial resolution: first, we describe and model two general spatial sub-sampling schemes. Then, we discuss how to implement them using the FP interferometer and demonstrate the potential of these novel compressed sensing PAT devices through simulated data from a realistic numerical phantom and through measured data from a dynamic experimental phantom as well as from in vivo experiments. Our results show that images with good spatial resolution and contrast can be obtained from highly sub-sampled PAT data if variational image reconstruction techniques that describe the tissues structures with suitable sparsity-constraints are used. In particular, we examine the use of total variation (TV) regularization enhanced by Bregman iterations. These novel reconstruction strategies offer new opportunities to dramatically increase the acquisition speed of photoacoustic scanners that employ point-by-point sequential scanning as well as reducing the channel count of parallelized schemes that use detector arrays.

Determination of Flaw Size and Depth From Temporal Evolution of Thermal Response

NASA Technical Reports Server (NTRS)

Winfree, William P.; Zalameda, Joseph N.; Cramer, Elliott; Howell, Patricia A.

2015-01-01

Simple methods for reducing the pulsed thermographic responses of flaws have tended to be based on either the spatial or temporal response. This independent assessment limits the accuracy of characterization. A variational approach is presented for reducing the thermographic data to produce an estimated size for a flaw that incorporates both the temporal and spatial response to improve the characterization. The size and depth are determined from both the temporal and spatial thermal response of the exterior surface above a flaw and constraints on the length of the contour surrounding the delamination. Examples of the application of the technique to simulation and experimental data acquired are presented to investigate the limitations of the technique.

A universal constraint-based formulation for freely moving immersed bodies in fluids

NASA Astrophysics Data System (ADS)

Patankar, Neelesh A.

2012-11-01

Numerical simulation of moving immersed bodies in fluids is now practiced routinely. A variety of variants of these approaches have been published, most of which rely on using a background mesh for the fluid equations and tracking the body using Lagrangian points. In this talk, generalized constraint-based governing equations will be presented that provide a unified framework for various immersed body techniques. The key idea that is common to these methods is to assume that the entire fluid-body domain is a ``fluid'' and then to constrain the body domain to move in accordance with its governing equations. The immersed body can be rigid or deforming. The governing equations are developed so that they are independent of the nature of temporal or spatial discretization schemes. Specific choices of time stepping and spatial discretization then lead to techniques developed in prior literature ranging from freely moving rigid to elastic self-propelling bodies. To simulate Brownian systems, thermal fluctuations can be included in the fluid equations via additional random stress terms. Solving the fluctuating hydrodynamic equations coupled with the immersed body results in the Brownian motion of that body. The constraint-based formulation leads to fractional time stepping algorithms a la Chorin-type schemes that are suitable for fast computations of rigid or self-propelling bodies whose deformation kinematics are known. Support from NSF is gratefully acknowledged.

Cosmological constraints from Galaxy Clusters in 2500 square-degree SPT-SZ survey

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

Haan, T. de; Benson, B. A.; Bleem, L. E.

We present cosmological parameter constraints obtained from galaxy clusters identified by their SunyaevZel'dovich effect signature in the 2500 square-degree South Pole Telescope Sunyaev Zel'dovich (SPT-SZ) survey. We consider the 377 cluster candidates identified at z > 0.25 with a detection significance greater than five, corresponding to the 95% purity threshold for the survey. We compute constraints on cosmological models using the measured cluster abundance as a function of mass and redshift. We include additional constraints from multi-wavelength observations, including Chandra X-ray data for 82 clusters and a weak lensing-based prior on the normalization of the mass-observable scaling relations. Assuming amore » spatially flat Lambda CDM cosmology, we combine the cluster data with a prior on H-0 and find sigma(8)= 0.784. +/- 0.039 and Omega(m) = 0.289. +/- 0.042, with the parameter combination sigma(8) (Omega(m)/0.27)(0.3) = 0.797 +/- 0.031. These results are in good agreement with constraints from the cosmic microwave background (CMB) from SPT, WMAP, and Planck, as well as with constraints from other cluster data sets. We also consider several extensions to Lambda CDM, including models in which the equation of state of dark energy w, the species-summed neutrino mass, and/or the effective number of relativistic species (N-eff) are free parameters. When combined with constraints from the Planck CMB, H-0, baryon acoustic oscillation, and SNe, adding the SPT cluster data improves the w constraint by 14%, to w = -1.023 +/- 0.042.« less

Atmospheric inversion of the surface CO2 flux with 13CO2 constraint

NASA Astrophysics Data System (ADS)

Chen, J. M.; Mo, G.; Deng, F.

2013-10-01

Observations of 13CO2 at 73 sites compiled in the GLOBALVIEW database are used for an additional constraint in a global atmospheric inversion of the surface CO2 flux using CO2 observations at 210 sites for the 2002-2004 period for 39 land regions and 11 ocean regions. This constraint is implemented using the 13CO2/CO2 flux ratio modeled with a terrestrial ecosystem model and an ocean model. These models simulate 13CO2 discrimination rates of terrestrial photosynthesis and respiration and ocean-atmosphere diffusion processes. In both models, the 13CO2 disequilibrium between fluxes to and from the atmosphere is considered due to the historical change in atmospheric 13CO2 concentration. For the 2002-2004 period, the 13CO2 constraint on the inversion increases the total land carbon sink from 3.40 to 3.70 Pg C yr-1 and decreases the total oceanic carbon sink from 1.48 to 1.12 Pg C yr-1. The largest changes occur in tropical areas: a considerable decrease in the carbon source in the Amazon forest, and this decrease is mostly compensated by increases in the ocean region immediately west of the Amazon and the southeast Asian land region. Our further investigation through different treatments of the 13CO2/CO2 flux ratio used in the inversion suggests that variable spatial distributions of the 13CO2 isotopic discrimination rate simulated by the models over land and ocean have considerable impacts on the spatial distribution of the inverted CO2 flux over land and the inversion results are not sensitive to errors in the estimated disequilibria over land and ocean.

A "Reverse-Schur" Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and Design.

PubMed

Bardhan, Jaydeep P; Altman, Michael D; Tidor, B; White, Jacob K

2009-01-01

We present a partial-differential-equation (PDE)-constrained approach for optimizing a molecule's electrostatic interactions with a target molecule. The approach, which we call reverse-Schur co-optimization, can be more than two orders of magnitude faster than the traditional approach to electrostatic optimization. The efficiency of the co-optimization approach may enhance the value of electrostatic optimization for ligand-design efforts-in such projects, it is often desirable to screen many candidate ligands for their viability, and the optimization of electrostatic interactions can improve ligand binding affinity and specificity. The theoretical basis for electrostatic optimization derives from linear-response theory, most commonly continuum models, and simple assumptions about molecular binding processes. Although the theory has been used successfully to study a wide variety of molecular binding events, its implications have not yet been fully explored, in part due to the computational expense associated with the optimization. The co-optimization algorithm achieves improved performance by solving the optimization and electrostatic simulation problems simultaneously, and is applicable to both unconstrained and constrained optimization problems. Reverse-Schur co-optimization resembles other well-known techniques for solving optimization problems with PDE constraints. Model problems as well as realistic examples validate the reverse-Schur method, and demonstrate that our technique and alternative PDE-constrained methods scale very favorably compared to the standard approach. Regularization, which ordinarily requires an explicit representation of the objective function, can be included using an approximate Hessian calculated using the new BIBEE/P (boundary-integral-based electrostatics estimation by preconditioning) method.

A “Reverse-Schur” Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and Design

PubMed Central

Bardhan, Jaydeep P.; Altman, Michael D.

2009-01-01

We present a partial-differential-equation (PDE)-constrained approach for optimizing a molecule’s electrostatic interactions with a target molecule. The approach, which we call reverse-Schur co-optimization, can be more than two orders of magnitude faster than the traditional approach to electrostatic optimization. The efficiency of the co-optimization approach may enhance the value of electrostatic optimization for ligand-design efforts–in such projects, it is often desirable to screen many candidate ligands for their viability, and the optimization of electrostatic interactions can improve ligand binding affinity and specificity. The theoretical basis for electrostatic optimization derives from linear-response theory, most commonly continuum models, and simple assumptions about molecular binding processes. Although the theory has been used successfully to study a wide variety of molecular binding events, its implications have not yet been fully explored, in part due to the computational expense associated with the optimization. The co-optimization algorithm achieves improved performance by solving the optimization and electrostatic simulation problems simultaneously, and is applicable to both unconstrained and constrained optimization problems. Reverse-Schur co-optimization resembles other well-known techniques for solving optimization problems with PDE constraints. Model problems as well as realistic examples validate the reverse-Schur method, and demonstrate that our technique and alternative PDE-constrained methods scale very favorably compared to the standard approach. Regularization, which ordinarily requires an explicit representation of the objective function, can be included using an approximate Hessian calculated using the new BIBEE/P (boundary-integral-based electrostatics estimation by preconditioning) method. PMID:23055839

Curvature from Strong Gravitational Lensing: A Spatially Closed Universe or Systematics?

NASA Astrophysics Data System (ADS)

Li, Zhengxiang; Ding, Xuheng; Wang, Guo-Jian; Liao, Kai; Zhu, Zong-Hong

2018-02-01

Model-independent constraints on the spatial curvature are not only closely related to important problems, such as the evolution of the universe and properties of dark energy, but also provide a test of the validity of the fundamental Copernican principle. In this paper, with the distance sum rule in the Friedmann–Lemaître–Robertson–Walker metric, we achieve model-independent measurements of the spatial curvature from the latest type Ia supernovae and strong gravitational lensing (SGL) observations. We find that a spatially closed universe is preferred. Moreover, by considering different kinds of velocity dispersion and subsamples, we study possible factors that might affect model-independent estimations for the spatial curvature from SGL observations. It is suggested that the combination of observational data from different surveys might cause a systematic bias, and the tension between the spatially flat universe and SGL observations is alleviated when the subsample only from the Sloan Lens ACS Survey is used or a more complex treatment for the density profile of lenses is considered.

Regulation of dynamic postural control to attend manual steadiness constraints.

PubMed

Teixeira, Luis Augusto; Coutinho, Joane Figueiredo Serpa; Coelho, Daniel Boari

2018-05-02

In daily living activities, performance of spatially accurate manual movements in upright stance depends on postural stability. In the present investigation, we aimed to evaluate the effect of the required manual steadiness (task constraint) on the regulation of dynamic postural control. A single group of young participants (n=20) were evaluated in the performance of a dual posturo-manual task of balancing on a platform oscillating in sinusoidal translations at 0.4 Hz (low) or 1 Hz (high) frequencies while stabilizing a cylinder on a handheld tray. Manual task constraint was manipulated by comparing the conditions of keeping the cylinder stationary on its flat or round side, corresponding to low and high manual task constraints, respectively. Results showed that in the low oscillation frequency the high manual task constraint led to lower oscillation amplitudes of the head, center of mass, and tray, in addition to higher relative phase values between ankle/hip-shoulder oscillatory rotations and between center of mass/center of pressure-feet oscillations as compared to values observed in the low manual task constraint. Further analyses showed that the high manual task constraint also affected variables related to both postural (increased amplitudes of center of pressure oscillation) and manual (increased amplitude of shoulder rotations) task components in the high oscillation frequency. These results suggest that control of a dynamic posturo-manual task is modulated in distinct parameters to attend the required manual steadiness in a complex and flexible way.

The Role of Attention in the Binding of Surface Features to Locations

PubMed Central

Hyun, Joo-seok; Woodman, Geoffrey F.; Luck, Steven J.

2013-01-01

Previous studies have proposed that attention is not necessary for detecting simple features but is necessary for binding them to spatial locations. The present study tested this hypothesis, using the N2pc component of the event-related potential waveform as a measure of the allocation of attention. A simple feature detection condition, in which observers reported whether a target color was present or not, was compared with feature-location binding conditions, in which observers reported the location of the target color. A larger N2pc component was observed in the binding conditions than in the detection condition, indicating that additional attentional resources are needed to bind a feature to a location than to detect the feature independently of its location. This finding supports theories of attention in which attention plays a special role in binding features. PMID:24235876

Binding-Induced Fluorescence of Serotonin Transporter Ligands: A Spectroscopic and Structural Study of 4-(4-(Dimethylamino)phenyl)-1-methylpyridinium (APP+) and APP+ Analogues

PubMed Central

2014-01-01

The binding-induced fluorescence of 4-(4-(dimethylamino)-phenyl)-1-methylpyridinium (APP+) and two new serotonin transporter (SERT)-binding fluorescent analogues, 1-butyl-4-[4-(1-dimethylamino)phenyl]-pyridinium bromide (BPP+) and 1-methyl-4-[4-(1-piperidinyl)phenyl]-pyridinium (PPP+), has been investigated. Optical spectroscopy reveals that these probes are highly sensitive to their chemical microenvironment, responding to variations in polarity with changes in transition energies and responding to changes in viscosity or rotational freedom with emission enhancements. Molecular docking calculations reveal that the probes are able to access the nonpolar and conformationally restrictive binding pocket of SERT. As a result, the probes exhibit previously not identified binding-induced turn-on emission that is spectroscopically distinct from dyes that have accumulated intracellularly. Thus, binding and transport dynamics of SERT ligands can be resolved both spatially and spectroscopically. PMID:24460204

Hsp-90 and the biology of nematodes

PubMed Central

Him, Nik AIIN; Gillan, Victoria; Emes, Richard D; Maitland, Kirsty; Devaney, Eileen

2009-01-01

Background Hsp-90 from the free-living nematode Caenorhabditis elegans is unique in that it fails to bind to the specific Hsp-90 inhibitor, geldanamycin (GA). Here we surveyed 24 different free-living or parasitic nematodes with the aim of determining whether C. elegans Hsp-90 was the exception or the norm amongst the nematodes. We combined these data with codon evolution models in an attempt to identify whether hsp-90 from GA-binding and non-binding species has evolved under different evolutionary constraints. Results We show that GA-binding is associated with life history: free-living nematodes and those parasitic species with free-living larval stages failed to bind GA. In contrast, obligate parasites and those worms in which the free-living stage in the environment is enclosed within a resistant egg, possess a GA-binding Hsp-90. We analysed Hsp-90 sequences from fifteen nematode species to determine whether nematode hsp-90s have undergone adaptive evolution that influences GA-binding. Our data provide evidence of rapid diversifying selection in the evolution of the hsp-90 gene along three separate lineages, and identified a number of residues showing significant evidence of adaptive evolution. However, we were unable to prove that the selection observed is correlated with the ability to bind geldanamycin or not. Conclusion Hsp-90 is a multi-functional protein and the rapid evolution of the hsp-90 gene presumably correlates with other key cellular functions. Factors other than primary amino acid sequence may influence the ability of Hsp-90 to bind to geldanamycin. PMID:19849843

Redefining yield gaps at various spatial scales

NASA Astrophysics Data System (ADS)

Meng, K.; Fishman, R.; Norstrom, A. V.; Diekert, F. K.; Engstrom, G.; Gars, J.; McCarney, G. R.; Sjostedt, M.

2013-12-01

Recent research has highlighted the prevalence of 'yield gaps' around the world and the importance of closing them for global food security. However, the traditional concept of yield gap -defined as the difference between observed and optimal yield under biophysical conditions - omit relevant socio-economic and ecological constraints and thus offer limited guidance on potential policy interventions. This paper proposes alternative definitions of yield gaps by incorporating rich, high resolution, national and sub-national agricultural datasets. We examine feasible efforts to 'close yield gaps' at various spatial scales and across different socio-economic and ecological domains.

Laser system using regenerative amplifier

DOEpatents

Emmett, John L. [Pleasanton, CA

1980-03-04

High energy laser system using a regenerative amplifier, which relaxes all constraints on laser components other than the intrinsic damage level of matter, so as to enable use of available laser system components. This can be accomplished by use of segmented components, spatial filters, at least one amplifier using solid state or gaseous media, and separated reflector members providing a long round trip time through the regenerative cavity, thereby allowing slower switching and adequate time to clear the spatial filters, etc. The laser system simplifies component requirements and reduces component cost while providing high energy output.

The Tetrodotoxin Receptor of Voltage-Gated Sodium Channels—Perspectives from Interactions with μ-Conotoxins

PubMed Central

French, Robert J.; Yoshikami, Doju; Sheets, Michael F.; Olivera, Baldomero M.

2010-01-01

Neurotoxin receptor site 1, in the outer vestibule of the conducting pore of voltage-gated sodium channels (VGSCs), was first functionally defined by its ability to bind the guanidinium-containing agents, tetrodotoxin (TTX) and saxitoxin (STX). Subsequent studies showed that peptide μ-conotoxins competed for binding at site 1. All of these natural inhibitors block single sodium channels in an all-or-none manner on binding. With the discovery of an increasing variety of μ-conotoxins, and the synthesis of numerous derivatives, observed interactions between the channel and these different ligands have become more complex. Certain μ-conotoxin derivatives block single-channel currents partially, rather than completely, thus enabling the demonstration of interactions between the bound toxin and the channel’s voltage sensor. Most recently, the relatively small μ-conotoxin KIIIA (16 amino acids) and its variants have been shown to bind simultaneously with TTX and exhibit both synergistic and antagonistic interactions with TTX. These interactions raise new pharmacological possibilities and place new constraints on the possible structures of the bound complexes of VGSCs with these toxins. PMID:20714429

An external sodium ion binding site controls allosteric gating in TRPV1 channels

PubMed Central

Jara-Oseguera, Andres; Bae, Chanhyung; Swartz, Kenton J

2016-01-01

TRPV1 channels in sensory neurons are integrators of painful stimuli and heat, yet how they integrate diverse stimuli and sense temperature remains elusive. Here, we show that external sodium ions stabilize the TRPV1 channel in a closed state, such that removing the external ion leads to channel activation. In studying the underlying mechanism, we find that the temperature sensors in TRPV1 activate in two steps to favor opening, and that the binding of sodium to an extracellular site exerts allosteric control over temperature-sensor activation and opening of the pore. The binding of a tarantula toxin to the external pore also exerts control over temperature-sensor activation, whereas binding of vanilloids influences temperature-sensitivity by largely affecting the open/closed equilibrium. Our results reveal a fundamental role of the external pore in the allosteric control of TRPV1 channel gating and provide essential constraints for understanding how these channels can be tuned by diverse stimuli. DOI: http://dx.doi.org/10.7554/eLife.13356.001 PMID:26882503

Factors Affecting Mobile Banking Adoption in the United States

ERIC Educational Resources Information Center

Engwanda, Michel Ndongola

2014-01-01

Mobile banking (m-banking) allows consumers to conduct financial transactions without temporal and spatial constraints through Internet-enabled mobile devices such as smartphones. The adoption patterns are of particular research interest because m-banking penetration has been relatively low even though smartphones are the most dominant forms of…

The Prison Is Another Country: Incarcerated Students and (Im)Mobility in Australian Prisons

ERIC Educational Resources Information Center

Farley, Helen; Hopkins, Susan

2017-01-01

Space, time and movement have particular meanings and significance for Australian prisoners attempting higher education while incarcerated. In a sense, the prison is another "world" or "country" with its own spatial and temporal arrangements and constraints for incarcerated university students. The contemporary digital…

Elements of Engagement: A Model of Teacher Interactions via Professional Learning Networks

ERIC Educational Resources Information Center

Krutka, Daniel G.; Carpenter, Jeffrey P.; Trust, Torrey

2016-01-01

In recent years, many educators have turned to participatory online affinity spaces for professional growth with peers who are more accessible because of reduced temporal and spatial constraints. Specifically, professional learning networks (PLNs) are "uniquely personalized, complex systems of interactions consisting of people, resources, and…

Continuing Education in Architecture: The Process, the Issues, the Challenge.

ERIC Educational Resources Information Center

Frandson, Phillip E.

1980-01-01

The author sees three critical issues facing the architecture field: (1) the communications gap between client and practitioner; (2) humanization of the environment; and (3) financial, spatial, material, and societal constraints. He examines the role of continuing education and professional associations in responding to those challenges, which are…

Constraining Distributed Catchment Models by Incorporating Perceptual Understanding of Spatial Hydrologic Behaviour

NASA Astrophysics Data System (ADS)

Hutton, Christopher; Wagener, Thorsten; Freer, Jim; Han, Dawei

2016-04-01

Distributed models offer the potential to resolve catchment systems in more detail, and therefore simulate the hydrological impacts of spatial changes in catchment forcing (e.g. landscape change). Such models tend to contain a large number of poorly defined and spatially varying model parameters which are therefore computationally expensive to calibrate. Insufficient data can result in model parameter and structural equifinality, particularly when calibration is reliant on catchment outlet discharge behaviour alone. Evaluating spatial patterns of internal hydrological behaviour has the potential to reveal simulations that, whilst consistent with measured outlet discharge, are qualitatively dissimilar to our perceptual understanding of how the system should behave. We argue that such understanding, which may be derived from stakeholder knowledge across different catchments for certain process dynamics, is a valuable source of information to help reject non-behavioural models, and therefore identify feasible model structures and parameters. The challenge, however, is to convert different sources of often qualitative and/or semi-qualitative information into robust quantitative constraints of model states and fluxes, and combine these sources of information together to reject models within an efficient calibration framework. Here we present the development of a framework to incorporate different sources of data to efficiently calibrate distributed catchment models. For each source of information, an interval or inequality is used to define the behaviour of the catchment system. These intervals are then combined to produce a hyper-volume in state space, which is used to identify behavioural models. We apply the methodology to calibrate the Penn State Integrated Hydrological Model (PIHM) at the Wye catchment, Plynlimon, UK. Outlet discharge behaviour is successfully simulated when perceptual understanding of relative groundwater levels between lowland peat, upland peat and valley slopes within the catchment are used to identify behavioural models. The process of converting qualitative information into quantitative constraints forces us to evaluate the assumptions behind our perceptual understanding in order to derive robust constraints, and therefore fairly reject models and avoid type II errors. Likewise, consideration needs to be given to the commensurability problem when mapping perceptual understanding to constrain model states.

Coevolution of Siglec-11 and Siglec-16 via gene conversion in primates.

PubMed

Hayakawa, Toshiyuki; Khedri, Zahra; Schwarz, Flavio; Landig, Corinna; Liang, Suh-Yuen; Yu, Hai; Chen, Xi; Fujito, Naoko T; Satta, Yoko; Varki, Ajit; Angata, Takashi

2017-11-23

Siglecs-11 and -16 are members of the sialic acid recognizing Ig-like lectin family, and expressed in same cells. Siglec-11 functions as an inhibitory receptor, whereas Siglec-16 exhibits activating properties. In humans, SIGLEC11 and SIGLEC16 gene sequences are extremely similar in the region encoding the extracellular domain due to gene conversions. Human SIGLEC11 was converted by the nonfunctional SIGLEC16P allele, and the converted SIGLEC11 allele became fixed in humans, possibly because it provides novel neuroprotective functions in brain microglia. However, the detailed evolutionary history of SIGLEC11 and SIGLEC16 in other primates remains unclear. We analyzed SIGLEC11 and SIGLEC16 gene sequences of multiple primate species, and examined glycan binding profiles of these Siglecs. The phylogenetic tree demonstrated that gene conversions between SIGLEC11 and SIGLEC16 occurred in the region including the exon encoding the sialic acid binding domain in every primate examined. Functional assays showed that glycan binding preference is similar between Siglec-11 and Siglec-16 in all analyzed hominid species. Taken together with the fact that Siglec-11 and Siglec-16 are expressed in the same cells, Siglec-11 and Siglec-16 are regarded as paired receptors that have maintained similar ligand binding preferences via gene conversions. Relaxed functional constraints were detected on the SIGLEC11 and SIGLEC16 exons that underwent gene conversions, possibly contributing to the evolutionary acceptance of repeated gene conversions. The frequency of nonfunctional SIGLEC16P alleles is much higher than that of SIGLEC16 alleles in every human population. Our findings indicate that Siglec-11 and Siglec-16 have been maintained as paired receptors by repeated gene conversions under relaxed functional constraints in the primate lineage. The high prevalence of the nonfunctional SIGLEC16P allele and the fixation of the converted SIGLEC11 imply that the loss of Siglec-16 and the gain of Siglec-11 in microglia might have been favored during the evolution of human lineage.

Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal

NASA Astrophysics Data System (ADS)

Niaz, Shanawer; Zdetsis, Aristides D.; Koukaras, Emmanuel N.; Gülseren, Oǧuz; Sadiq, Imran

2016-11-01

In most of the realistic ab initio and model calculations which have appeared on the emission of light from silicon nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate theoretically, by density functional theory (DFT/B3LYP) possible modes of oxygen bonding in hydrogen terminated silicon quantum dots using as a representative case of the Si29 nanocrystal. We have considered Bridge-bonded oxygen (BBO), Doubly-bonded oxygen (DBO), hydroxyl (OH) and Mix of these oxidizing agents. Due to stoichiometry, all comparisons performed are unbiased with respect to composition whereas spatial distribution of oxygen species pointed out drastic change in electronic and cohesive characteristics of nanocrytals. From an overall perspective of this study, it is shown that bridge bonded oxygenated Si nanocrystals accompanied by Mix have higher binding energies and large electronic gap compared to nanocrystals with doubly bonded oxygen atoms. In addition, it is observed that the presence of OH along with BBO, DBO and mixed configurations further lowers electronic gaps and binding energies but trends in same fashion. It is also demonstrated that within same composition, oxidizing constituent, along with their spatial distribution substantially alters binding energy, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) gap (up to 1.48 eV) and localization of frontier orbitals.

Task demands determine comparison strategy in whole probe change detection.

PubMed

Udale, Rob; Farrell, Simon; Kent, Chris

2018-05-01

Detecting a change in our visual world requires a process that compares the external environment (test display) with the contents of memory (study display). We addressed the question of whether people strategically adapt the comparison process in response to different decision loads. Study displays of 3 colored items were presented, followed by 'whole-display' probes containing 3 colored shapes. Participants were asked to decide whether any probed items contained a new feature. In Experiments 1-4, irrelevant changes to the probed item's locations or feature bindings influenced memory performance, suggesting that participants employed a comparison process that relied on spatial locations. This finding occurred irrespective of whether participants were asked to decide about the whole display, or only a single cued item within the display. In Experiment 5, when the base-rate of changes in the nonprobed items increased (increasing the incentive to use the cue effectively), participants were not influenced by irrelevant changes in location or feature bindings. In addition, we observed individual differences in the use of spatial cues. These results suggest that participants can flexibly switch between spatial and nonspatial comparison strategies, depending on interactions between individual differences and task demand factors. These findings have implications for models of visual working memory that assume that the comparison between study and test obligatorily relies on accessing visual features via their binding to location. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Optimization of binding electrostatics: Charge complementarity in the barnase-barstar protein complex

PubMed Central

lee, Lee-Peng; Tidor, Bruce

2001-01-01

Theoretical and experimental studies have shown that the large desolvation penalty required for polar and charged groups frequently precludes their involvement in electrostatic interactions that contribute strongly to net stability in the folding or binding of proteins in aqueous solution near room temperature. We have previously developed a theoretical framework for computing optimized electrostatic interactions and illustrated use of the algorithm with simplified geometries. Given a receptor and model assumptions, the method computes the ligand-charge distribution that provides the most favorable balance of desolvation and interaction effects on binding. In this paper the method has been extended to treat complexes using actual molecular shapes. The barnase-barstar protein complex was investigated with barnase treated as a target receptor. The atomic point charges of barstar were varied to optimize the electrostatic binding free energy. Barnase and natural barstar form a tight complex (Kd ∼ 10−14 M) with many charged and polar groups near the interface that make this a particularly relevant system for investigating the role of electrostatic effects on binding. The results show that sets of barstar charges (resulting from optimization with different constraints) can be found that give rise to relatively large predicted improvements in electrostatic binding free energy. Principles for enhancing the effect of electrostatic interactions in molecular binding in aqueous environments are discussed in light of the optima. Our findings suggest that, in general, the enhancements in electrostatic binding free energy resulting from modification of polar and charged groups can be substantial. Moreover, a recently proposed definition of electrostatic complementarity is shown to be a useful tool for examining binding interfaces. Finally, calculational results suggest that wild-type barstar is closer to being affinity optimized than is barnase for their mutual binding, consistent with the known roles of these proteins. PMID:11266622

The spatial resolution of a rotating gamma camera tomographic facility.

PubMed

Webb, S; Flower, M A; Ott, R J; Leach, M O; Inamdar, R

1983-12-01

An important feature determining the spatial resolution in transverse sections reconstructed by convolution and back-projection is the frequency filter corresponding to the convolution kernel. Equations have been derived giving the theoretical spatial resolution, for a perfect detector and noise-free data, using four filter functions. Experiments have shown that physical constraints will always limit the resolution that can be achieved with a given system. The experiments indicate that the region of the frequency spectrum between KN/2 and KN where KN is the Nyquist frequency does not contribute significantly to resolution. In order to investigate the physical effect of these filter functions, the spatial resolution of reconstructed images obtained with a GE 400T rotating gamma camera has been measured. The results obtained serve as an aid to choosing appropriate reconstruction filters for use with a rotating gamma camera system.

Insight into nuclear body formation of phytochromes through stochastic modelling and experiment.

PubMed

Grima, Ramon; Sonntag, Sebastian; Venezia, Filippo; Kircher, Stefan; Smith, Robert W; Fleck, Christian

2018-05-01

Spatial relocalization of proteins is crucial for the correct functioning of living cells. An interesting example of spatial ordering is the light-induced clustering of plant photoreceptor proteins. Upon irradiation by white or red light, the red light-active phytochrome, phytochrome B, enters the nucleus and accumulates in large nuclear bodies. The underlying physical process of nuclear body formation remains unclear, but phytochrome B is thought to coagulate via a simple protein-protein binding process. We measure, for the first time, the distribution of the number of phytochrome B-containing nuclear bodies as well as their volume distribution. We show that the experimental data cannot be explained by a stochastic model of nuclear body formation via simple protein-protein binding processes using physically meaningful parameter values. Rather modelling suggests that the data is consistent with a two step process: a fast nucleation step leading to macroparticles followed by a subsequent slow step in which the macroparticles bind to form the nuclear body. An alternative explanation for the observed nuclear body distribution is that the phytochromes bind to a so far unknown molecular structure. We believe it is likely this result holds more generally for other nuclear body-forming plant photoreceptors and proteins. Creative Commons Attribution license.

Precision cosmology from X-ray AGN clustering

NASA Astrophysics Data System (ADS)

Basilakos, Spyros; Plionis, Manolis

2009-11-01

We place tight constraints on the main cosmological parameters of spatially flat cosmological models by using the recent angular clustering results of XMM-Newton soft (0.5-2keV) X-ray sources, which have a redshift distribution with a median of z ~ 1. Performing a standard likelihood procedure, assuming a constant in comoving coordinates active galactic nuclei (AGN) clustering evolution, the AGN bias evolution model of Basilakos, Plionis & Ragone-Figueroa and the Wilkinson Microwave Anisotropy Probe5 value of σ8, we find stringent simultaneous constraints in the (Ωm, w) plane, with Ωm = 0.26 +/- 0.05, w = -0.93+0.11-0.19.

Dynamic behavior of particles in spacecraft

NASA Technical Reports Server (NTRS)

Perrine, B. S.

1981-01-01

The behavior of particles relative to a spacecraft frame of reference was examined. Significant spatial excursions of particles in space can occur relative to the spacecraft frame of reference as a result of drag deceleration of the vehicle. These vehicle excursions tend to be large as time increases. Thus, if the particle is required to remain in a specified volume, constraints may be required. Thus, for example, in levitation experiments it may be extremely difficult to turn off the forces of constraint which keep the particles in a specified region. This means experiments which are sensitive to disturbances may be very difficult to perform if perturbation forces are required to be absent.

Variations in the fine-structure constant constraining gravity theories

NASA Astrophysics Data System (ADS)

Bezerra, V. B.; Cunha, M. S.; Muniz, C. R.; Tahim, M. O.; Vieira, H. S.

2016-08-01

In this paper, we investigate how the fine-structure constant, α, locally varies in the presence of a static and spherically symmetric gravitational source. The procedure consists in calculating the solution and the energy eigenvalues of a massive scalar field around that source, considering the weak-field regime. From this result, we obtain expressions for a spatially variable fine-structure constant by considering suitable modifications in the involved parameters admitting some scenarios of semi-classical and quantum gravities. Constraints on free parameters of the approached theories are calculated from astrophysical observations of the emission spectra of a white dwarf. Such constraints are finally compared with those obtained in the literature.

Semiclassical Wheeler-DeWitt equation: Solutions for long-wavelength fields

NASA Astrophysics Data System (ADS)

Salopek, D. S.; Stewart, J. M.; Parry, J.

1993-07-01

In the long-wavelength approximation, a general set of semiclassical wave functionals is given for gravity and matter interacting in 3+1 dimensions. In the long-wavelength theory, one neglects second-order spatial gradients in the energy constraint. These solutions satisfy the Hamilton-Jacobi equation, the momentum constraint, and the equation of continuity. It is essential to introduce inhomogeneities to discuss the role of time. The time hypersurface is chosen to be a homogeneous field in the wave functional. It is shown how to introduce tracer particles through a dust field χ into the dynamical system. The formalism can be used to describe stochastic inflation.

Effects of task constraints on reaching kinematics by healthy adults.

PubMed

Wu, Ching-Yi; Lin, Keh-Chung; Lin, Kwan-Hwa; Chang, Chein-Wei; Chen, Chia-Ling

2005-06-01

Understanding the control of movement requires an awareness of how tasks constrain movements. The present study investigated the effects of two types of task constraints--spatial accuracy (effector size) and target location--on reaching kinematics. 15 right-handed healthy young adults (7 men, 8 women) whose mean age was 23.6 yr. (SD=3.9 yr.) performed the ringing task under six conditions, formed by the crossing of effector size (larger vs smaller size) and target location (left, right, or a central position). Significant main effects of effector size and target location were found for peak velocity and movement time. There was a significant interaction for the percentage of time to peak velocity. The findings suggested that task constraints may modulate movement performance in specific ways. Effects of effector size might be a consequence of feedforward and feedback control, and location effects might be influenced by both biomechanical and neurological factors.

Self-constrained inversion of potential fields

NASA Astrophysics Data System (ADS)

Paoletti, V.; Ialongo, S.; Florio, G.; Fedi, M.; Cella, F.

2013-11-01

We present a potential-field-constrained inversion procedure based on a priori information derived exclusively from the analysis of the gravity and magnetic data (self-constrained inversion). The procedure is designed to be applied to underdetermined problems and involves scenarios where the source distribution can be assumed to be of simple character. To set up effective constraints, we first estimate through the analysis of the gravity or magnetic field some or all of the following source parameters: the source depth-to-the-top, the structural index, the horizontal position of the source body edges and their dip. The second step is incorporating the information related to these constraints in the objective function as depth and spatial weighting functions. We show, through 2-D and 3-D synthetic and real data examples, that potential field-based constraints, for example, structural index, source boundaries and others, are usually enough to obtain substantial improvement in the density and magnetization models.

Optimization of Water Resources and Agricultural Activities for Economic Benefit in Colorado

NASA Astrophysics Data System (ADS)

LIM, J.; Lall, U.

2017-12-01

The limited water resources available for irrigation are a key constraint for the important agricultural sector of Colorado's economy. As climate change and groundwater depletion reshape these resources, it is essential to understand the economic potential of water resources under different agricultural production practices. This study uses a linear programming optimization at the county spatial scale and annual temporal scales to study the optimal allocation of water withdrawal and crop choices. The model, AWASH, reflects streamflow constraints between different extraction points, six field crops, and a distinct irrigation decision for maize and wheat. The optimized decision variables, under different environmental, social, economic, and physical constraints, provide long-term solutions for ground and surface water distribution and for land use decisions so that the state can generate the maximum net revenue. Colorado, one of the largest agricultural producers, is tested as a case study and the sensitivity on water price and on climate variability is explored.

Spatio-Temporal Video Segmentation with Shape Growth or Shrinkage Constraint

NASA Technical Reports Server (NTRS)

Tarabalka, Yuliya; Charpiat, Guillaume; Brucker, Ludovic; Menze, Bjoern H.

2014-01-01

We propose a new method for joint segmentation of monotonously growing or shrinking shapes in a time sequence of noisy images. The task of segmenting the image time series is expressed as an optimization problem using the spatio-temporal graph of pixels, in which we are able to impose the constraint of shape growth or of shrinkage by introducing monodirectional infinite links connecting pixels at the same spatial locations in successive image frames. The globally optimal solution is computed with a graph cut. The performance of the proposed method is validated on three applications: segmentation of melting sea ice floes and of growing burned areas from time series of 2D satellite images, and segmentation of a growing brain tumor from sequences of 3D medical scans. In the latter application, we impose an additional intersequences inclusion constraint by adding directed infinite links between pixels of dependent image structures.

Building Facade Modeling Under Line Feature Constraint Based on Close-Range Images

NASA Astrophysics Data System (ADS)

Liang, Y.; Sheng, Y. H.

2018-04-01

To solve existing problems in modeling facade of building merely with point feature based on close-range images , a new method for modeling building facade under line feature constraint is proposed in this paper. Firstly, Camera parameters and sparse spatial point clouds data were restored using the SFM , and 3D dense point clouds were generated with MVS; Secondly, the line features were detected based on the gradient direction , those detected line features were fit considering directions and lengths , then line features were matched under multiple types of constraints and extracted from multi-image sequence. At last, final facade mesh of a building was triangulated with point cloud and line features. The experiment shows that this method can effectively reconstruct the geometric facade of buildings using the advantages of combining point and line features of the close - range image sequence, especially in restoring the contour information of the facade of buildings.

KBGIS-II: A knowledge-based geographic information system

NASA Technical Reports Server (NTRS)

Smith, Terence; Peuquet, Donna; Menon, Sudhakar; Agarwal, Pankaj

1986-01-01

The architecture and working of a recently implemented Knowledge-Based Geographic Information System (KBGIS-II), designed to satisfy several general criteria for the GIS, is described. The system has four major functions including query-answering, learning and editing. The main query finds constrained locations for spatial objects that are describable in a predicate-calculus based spatial object language. The main search procedures include a family of constraint-satisfaction procedures that use a spatial object knowledge base to search efficiently for complex spatial objects in large, multilayered spatial data bases. These data bases are represented in quadtree form. The search strategy is designed to reduce the computational cost of search in the average case. The learning capabilities of the system include the addition of new locations of complex spatial objects to the knowledge base as queries are answered, and the ability to learn inductively definitions of new spatial objects from examples. The new definitions are added to the knowledge base by the system. The system is performing all its designated tasks successfully. Future reports will relate performance characteristics of the system.

Four-dimensional electrical conductivity monitoring of stage-driven river water intrusion: Accounting for water table effects using a transient mesh boundary and conditional inversion constraints

DOE PAGES

Johnson, Tim; Versteeg, Roelof; Thomle, Jon; ...

2015-08-01

Our paper describes and demonstrates two methods of providing a priori information to the surface-based time-lapse three-dimensional electrical resistivity tomography (ERT) problem for monitoring stage-driven or tide-driven surface water intrusion into aquifers. First, a mesh boundary is implemented that conforms to the known location of the water table through time, thereby enabling the inversion to place a sharp bulk conductivity contrast at that boundary without penalty. Moreover, a nonlinear inequality constraint is used to allow only positive or negative transient changes in EC to occur within the saturated zone, dependent on the relative contrast in fluid electrical conductivity between surfacemore » water and groundwater. A 3-D field experiment demonstrates that time-lapse imaging results using traditional smoothness constraints are unable to delineate river water intrusion. The water table and inequality constraints provide the inversion with the additional information necessary to resolve the spatial extent of river water intrusion through time.« less

Four-dimensional electrical conductivity monitoring of stage-driven river water intrusion: Accounting for water table effects using a transient mesh boundary and conditional inversion constraints

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

Johnson, Tim; Versteeg, Roelof; Thomle, Jon

Our paper describes and demonstrates two methods of providing a priori information to the surface-based time-lapse three-dimensional electrical resistivity tomography (ERT) problem for monitoring stage-driven or tide-driven surface water intrusion into aquifers. First, a mesh boundary is implemented that conforms to the known location of the water table through time, thereby enabling the inversion to place a sharp bulk conductivity contrast at that boundary without penalty. Moreover, a nonlinear inequality constraint is used to allow only positive or negative transient changes in EC to occur within the saturated zone, dependent on the relative contrast in fluid electrical conductivity between surfacemore » water and groundwater. A 3-D field experiment demonstrates that time-lapse imaging results using traditional smoothness constraints are unable to delineate river water intrusion. The water table and inequality constraints provide the inversion with the additional information necessary to resolve the spatial extent of river water intrusion through time.« less

Impact of changes in GRACE derived terrestrial water storage on vegetation growth in Eurasia

NASA Astrophysics Data System (ADS)

A, G.; Velicogna, I.; Kimball, J. S.; Kim, Y.

2015-12-01

We use GRACE-derived terrestrial water storage (TWS) and ERA-interim air temperature, as proxy for available water and temperature constraints on vegetation productivity, inferred from MODIS satellite normalized difference vegetation index (NDVI), in Northern Eurasia during 2002-2011. We investigate how changes in TWS affect the correlation between NDVI and temperature during the non-frozen season. We find that vegetation growth exhibits significant spatial and temporal variability associated with varying trend in TWS and temperature. The largest NDVI gains occur over boreal forests associated with warming and wetting. The largest NDVI losses occur over grasslands in the Southwestern Ob associated with regional drying and cooling, with dominant constraint from TWS. Over grasslands and temperate forests in the Southeast Ob and South Yenisei, wetting and cooling lead to a dominant temperature constraint due to the relaxation of TWS constraints. Overall, we find significant monthly correlation of NDVI with TWS and temperature over 35% and 50% of the domain, respectively. These results indicate that water availability (TWS) plays a major role in modulating Eurasia vegetation response to temperature changes.

Preferential binding effects on protein structure and dynamics revealed by coarse-grained Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Pandey, R. B.; Jacobs, D. J.; Farmer, B. L.

2017-05-01

The effect of preferential binding of solute molecules within an aqueous solution on the structure and dynamics of the histone H3.1 protein is examined by a coarse-grained Monte Carlo simulation. The knowledge-based residue-residue and hydropathy-index-based residue-solvent interactions are used as input to analyze a number of local and global physical quantities as a function of the residue-solvent interaction strength (f). Results from simulations that treat the aqueous solution as a homogeneous effective solvent medium are compared to when positional fluctuations of the solute molecules are explicitly considered. While the radius of gyration (Rg) of the protein exhibits a non-monotonic dependence on solvent interaction over a wide range of f within an effective medium, an abrupt collapse in Rg occurs in a narrow range of f when solute molecules rapidly bind to a preferential set of sites on the protein. The structure factor S(q) of the protein with wave vector (q) becomes oscillatory in the collapsed state, which reflects segmental correlations caused by spatial fluctuations in solute-protein binding. Spatial fluctuations in solute binding also modify the effective dimension (D) of the protein in fibrous (D ˜ 1.3), random-coil (D ˜ 1.75), and globular (D ˜ 3) conformational ensembles as the interaction strength increases, which differ from an effective medium with respect to the magnitude of D and the length scale.

Working Memory Integration Processes in Benign Childhood Epilepsy with Centrotemporal Spikes.

PubMed

Kárpáti, Judit; Donauer, Nándor; Somogyi, Eszter; Kónya, Anikó

2015-12-01

Benign epilepsy of childhood with centrotemporal spikes (BECTS) is the most frequent focal epilepsy in children; however, the pattern of affected memory processes remains controversial. Previous studies in BECTS imply deficits in complex working memory tasks, but not in simple modality-specific tasks. We studied working memory processes in children with BECTS by comparing performance in memory binding tasks of different complexities. We compared 17 children with BECTS (aged 6 to 13 years) to 17 healthy children matched for age, sex, and intelligence quotient. We measured spatial and verbal memory components separately and jointly on three single-binding tasks (binding of what and where; what and when; and where and when) and a combined-binding task (integration of what, where, and when). We also evaluated basic visuospatial memory functions with subtests of the Children's Memory Scale, and intellectual abilities with verbal tasks of the Wechsler Intelligence Scale for Children-Fourth Edition and the Raven Progressive Matrices. We found no difference between the BECTS and control groups in single-binding tasks; however, the children with BECTS performed significantly worse on the combined task, which included integration of spatial, verbal, and temporal information. We found no deficits in their intellectual abilities or basic visuospatial memory functions. Children with BECTS may have intact simple maintenance processes of working memory, but difficulty with high-level functions requiring attentional and executive resources. Our findings imply no specific memory dysfunction in BECTS, but suggest difficulties in integrating information within working memory, and possible frontal lobe disturbances.

Text Mining for Protein Docking

PubMed Central

Badal, Varsha D.; Kundrotas, Petras J.; Vakser, Ilya A.

2015-01-01

The rapidly growing amount of publicly available information from biomedical research is readily accessible on the Internet, providing a powerful resource for predictive biomolecular modeling. The accumulated data on experimentally determined structures transformed structure prediction of proteins and protein complexes. Instead of exploring the enormous search space, predictive tools can simply proceed to the solution based on similarity to the existing, previously determined structures. A similar major paradigm shift is emerging due to the rapidly expanding amount of information, other than experimentally determined structures, which still can be used as constraints in biomolecular structure prediction. Automated text mining has been widely used in recreating protein interaction networks, as well as in detecting small ligand binding sites on protein structures. Combining and expanding these two well-developed areas of research, we applied the text mining to structural modeling of protein-protein complexes (protein docking). Protein docking can be significantly improved when constraints on the docking mode are available. We developed a procedure that retrieves published abstracts on a specific protein-protein interaction and extracts information relevant to docking. The procedure was assessed on protein complexes from Dockground (http://dockground.compbio.ku.edu). The results show that correct information on binding residues can be extracted for about half of the complexes. The amount of irrelevant information was reduced by conceptual analysis of a subset of the retrieved abstracts, based on the bag-of-words (features) approach. Support Vector Machine models were trained and validated on the subset. The remaining abstracts were filtered by the best-performing models, which decreased the irrelevant information for ~ 25% complexes in the dataset. The extracted constraints were incorporated in the docking protocol and tested on the Dockground unbound benchmark set, significantly increasing the docking success rate. PMID:26650466

The spatial reliability of task-irrelevant sounds modulates bimodal audiovisual integration: An event-related potential study.

PubMed

Li, Qi; Yu, Hongtao; Wu, Yan; Gao, Ning

2016-08-26

The integration of multiple sensory inputs is essential for perception of the external world. The spatial factor is a fundamental property of multisensory audiovisual integration. Previous studies of the spatial constraints on bimodal audiovisual integration have mainly focused on the spatial congruity of audiovisual information. However, the effect of spatial reliability within audiovisual information on bimodal audiovisual integration remains unclear. In this study, we used event-related potentials (ERPs) to examine the effect of spatial reliability of task-irrelevant sounds on audiovisual integration. Three relevant ERP components emerged: the first at 140-200ms over a wide central area, the second at 280-320ms over the fronto-central area, and a third at 380-440ms over the parieto-occipital area. Our results demonstrate that ERP amplitudes elicited by audiovisual stimuli with reliable spatial relationships are larger than those elicited by stimuli with inconsistent spatial relationships. In addition, we hypothesized that spatial reliability within an audiovisual stimulus enhances feedback projections to the primary visual cortex from multisensory integration regions. Overall, our findings suggest that the spatial linking of visual and auditory information depends on spatial reliability within an audiovisual stimulus and occurs at a relatively late stage of processing. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Adapting agriculture to climate change: a review

NASA Astrophysics Data System (ADS)

Anwar, Muhuddin Rajin; Liu, De Li; Macadam, Ian; Kelly, Georgina

2013-07-01

The agricultural sector is highly vulnerable to future climate changes and climate variability, including increases in the incidence of extreme climate events. Changes in temperature and precipitation will result in changes in land and water regimes that will subsequently affect agricultural productivity. Given the gradual change of climate in the past, historically, farmers have adapted in an autonomous manner. However, with large and discrete climate change anticipated by the end of this century, planned and transformational changes will be needed. In light of these, the focus of this review is on farm-level and farmers responses to the challenges of climate change both spatially and over time. In this review of adapting agriculture to climate change, the nature, extent, and causes of climate change are analyzed and assessed. These provide the context for adapting agriculture to climate change. The review identifies the binding constraints to adaptation at the farm level. Four major priority areas are identified to relax these constraints, where new initiatives would be required, i.e., information generation and dissemination to enhance farm-level awareness, research and development (R&D) in agricultural technology, policy formulation that facilitates appropriate adaptation at the farm level, and strengthening partnerships among the relevant stakeholders. Forging partnerships among R&D providers, policy makers, extension agencies, and farmers would be at the heart of transformational adaptation to climate change at the farm level. In effecting this transformational change, sustained efforts would be needed for the attendant requirements of climate and weather forecasting and innovation, farmer's training, and further research to improve the quality of information, invention, and application in agriculture. The investment required for these would be highly significant. The review suggests a sequenced approach through grouping research initiatives into short-term, medium-term, and long-term initiatives, with each initiative in one stage contributing to initiatives in a subsequent stage. The learning by doing inherent in such a process-oriented approach is a requirement owing to the many uncertainties associated with climate change.

Intrinsic limits to gene regulation by global crosstalk

NASA Astrophysics Data System (ADS)

Friedlander, Tamar; Prizak, Roshan; Guet, Calin; Barton, Nicholas H.; Tkacik, Gasper

Gene activity is mediated by the specificity of binding interactions between special proteins, called transcription factors, and short regulatory sequences on the DNA, where different protein species preferentially bind different DNA targets. Limited interaction specificity may lead to crosstalk: a regulatory state in which a gene is either incorrectly activated due to spurious interactions or remains erroneously inactive. Since each protein can potentially interact with numerous DNA targets, crosstalk is inherently a global problem, yet has previously not been studied as such. We construct a theoretical framework to analyze the effects of global crosstalk on gene regulation, using statistical mechanics. We find that crosstalk in regulatory interactions puts fundamental limits on the reliability of gene regulation that are not easily mitigated by tuning proteins concentrations or by complex regulatory schemes proposed in the literature. Our results suggest that crosstalk imposes a previously unexplored global constraint on the functioning and evolution of regulatory networks, which is qualitatively distinct from the known constraints that act at the level of individual gene regulatory elements. The research leading to these results has received funding from the People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme (FP7/2007-2013) under REA Grant agreement Nr. 291734 (T.F.) and ERC Grant Nr. 250152 (N.B.).

Validating EHR clinical models using ontology patterns.

PubMed

Martínez-Costa, Catalina; Schulz, Stefan

2017-12-01

Clinical models are artefacts that specify how information is structured in electronic health records (EHRs). However, the makeup of clinical models is not guided by any formal constraint beyond a semantically vague information model. We address this gap by advocating ontology design patterns as a mechanism that makes the semantics of clinical models explicit. This paper demonstrates how ontology design patterns can validate existing clinical models using SHACL. Based on the Clinical Information Modelling Initiative (CIMI), we show how ontology patterns detect both modeling and terminology binding errors in CIMI models. SHACL, a W3C constraint language for the validation of RDF graphs, builds on the concept of "Shape", a description of data in terms of expected cardinalities, datatypes and other restrictions. SHACL, as opposed to OWL, subscribes to the Closed World Assumption (CWA) and is therefore more suitable for the validation of clinical models. We have demonstrated the feasibility of the approach by manually describing the correspondences between six CIMI clinical models represented in RDF and two SHACL ontology design patterns. Using a Java-based SHACL implementation, we found at least eleven modeling and binding errors within these CIMI models. This demonstrates the usefulness of ontology design patterns not only as a modeling tool but also as a tool for validation. Copyright © 2017 Elsevier Inc. All rights reserved.

Binding modes of environmental endocrine disruptors to human serum albumin: insights from STD-NMR, ITC, spectroscopic and molecular docking studies.

PubMed

Yang, Hongqin; Huang, Yanmei; Liu, Jiuyang; Tang, Peixiao; Sun, Qiaomei; Xiong, Xinnuo; Tang, Bin; He, Jiawei; Li, Hui

2017-09-11

Given that bisphenols have an endocrine-disrupting effect on human bodies, thoroughly exposing their potential effects at the molecular level is important. Saturation transfer difference (STD) NMR-based binding studies were performed to investigate the binding potential of two bisphenol representatives, namely, bisphenol B (BPB) and bisphenol E (BPE), toward human serum albumin (HSA). The relative STD (%) suggested that BPB and BPE show similar binding modes and orientations, in which the phenolic rings were spatially close to HSA binding site. ITC analysis results showed that BPB and BPE were bound to HSA with moderately strong binding affinity through electrostatic interactions and hydrogen bonds. The order of binding affinity of HSA for two test bisphenols is as follows: BPE > BPB. The results of fluorescence competitive experiments using 5-dimethylaminonaphthalene-1-sulfonamide and dansylsarcosine as competitors, combined with molecular docking indicated that both bisphenols are prone to attach to the binding site II in HSA. Spectroscopic results (FT-IR, CD, synchronous and 3D fluorescence spectra) showed that BPB/BPE induces different degrees of microenvironmental and conformational changes to HSA.

Life-span development of visual working memory: when is feature binding difficult?

PubMed

Cowan, Nelson; Naveh-Benjamin, Moshe; Kilb, Angela; Saults, J Scott

2006-11-01

We asked whether the ability to keep in working memory the binding between a visual object and its spatial location changes with development across the life span more than memory for item information. Paired arrays of colored squares were identical or differed in the color of one square, and in the latter case, the changed color was unique on that trial (item change) or was duplicated elsewhere in the array (color-location binding change). Children (8-10 and 11-12 years old) and older adults (65-85 years old) showed deficits relative to young adults. These were only partly simulated by dividing attention in young adults. The older adults had an additional deficiency, specifically in binding information, which was evident only when item- and binding-change trials were mixed together. In that situation, the older adults often overlooked the more subtle, binding-type changes. Some working memory processes related to binding undergo life-span development in an inverted-U shape, whereas other, bias- and salience-related processes that influence the use of binding information seem to develop monotonically.

The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis.

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

Park, Kyung-Tase; Wu, Wei; Battaile, Kevin P.

In E. coli, MinD recruits MinE to the membrane, leading to a coupled oscillation required for spatial regulation of the cytokinetic Z ring. How these proteins interact, however, is not clear because the MinD-binding regions of MinE are sequestered within a six-stranded {beta} sheet and masked by N-terminal helices. minE mutations that restore interaction between some MinD and MinE mutants were isolated. These mutations alter the MinE structure leading to release of the MinD-binding regions and the N-terminal helices that bind the membrane. Crystallization of MinD-MinE complexes revealed a four-stranded {beta} sheet MinE dimer with the released {beta} strands (MinD-bindingmore » regions) converted to {alpha} helices bound to MinD dimers. These results identify the MinD-dependent conformational changes in MinE that convert it from a latent to an active form and lead to a model of how MinE persists at the MinD-membrane surface.« less

Inhibition of kinesin-driven microtubule motility by monoclonal antibodies to kinesin heavy chains

PubMed Central

1988-01-01

We have prepared and characterized seven mouse monoclonal antibodies (SUK 1-7) to the 130-kD heavy chain of sea urchin egg kinesin. On immunoblots, SUK 3 and SUK 4 cross-reacted with Drosophila embryo 116- kD heavy chains, and SUK 4, SUK 5, SUK 6, and SUK 7 bound to the 120-kD heavy chains of bovine brain kinesin. Three out of seven monoclonal antikinesins (SUK 4, SUK 6, and SUK 7) caused a dose-dependent inhibition of sea urchin egg kinesin-induced microtubule translocation, whereas the other four monoclonal antibodies had no detectable effect on this motility. The inhibitory monoclonal antibodies (SUK 4, SUK 6, and SUK 7) appear to bind to spatially related sites on an ATP- sensitive microtubule binding 45-kD chymotryptic fragment of the 130-kD heavy chain, whereas SUK 2 binds to a spatially distinct site. None of the monoclonal antikinesins inhibited the microtubule activated MgATPase activity of kinesin, suggesting that SUK 4, SUK 6, and SUK 7 uncouple this MgATPase activity from motility. PMID:2974459

Hexameric supramolecular scaffold orients carbohydrates to sense bacteria.

PubMed

Grünstein, Dan; Maglinao, Maha; Kikkeri, Raghavendra; Collot, Mayeul; Barylyuk, Konstantin; Lepenies, Bernd; Kamena, Faustin; Zenobi, Renato; Seeberger, Peter H

2011-09-07

Carbohydrates are integral to biological signaling networks and cell-cell interactions, yet the detection of discrete carbohydrate-lectin interactions remains difficult since binding is generally weak. A strategy to overcome this problem is to create multivalent sensors, where the avidity rather than the affinity of the interaction is important. Here we describe the development of a series of multivalent sensors that self-assemble via hydrophobic supramolecular interactions. The multivalent sensors are comprised of a fluorescent ruthenium(II) core surrounded by a heptamannosylated β-cyclodextrin scaffold. Two additional series of complexes were synthesized as proof-of-principle for supramolecular self-assembly, the fluorescent core alone and the core plus β-cyclodextrin. Spectroscopic analyses confirmed that the three mannosylated sensors displayed 14, 28, and 42 sugar units, respectively. Each complex adopted original and unique spatial arrangements. The sensors were used to investigate the influence of carbohydrate spatial arrangement and clustering on the mechanistic and qualitative properties of lectin binding. Simple visualization of binding between a fluorescent, multivalent mannose complex and the Escherichia coli strain ORN178 that possesses mannose-specific receptor sites illustrates the potential for these complexes as biosensors.

The properties of small Ag clusters bound to DNA bases.

PubMed

Soto-Verdugo, Víctor; Metiu, Horia; Gwinn, Elisabeth

2010-05-21

We study the binding of neutral silver clusters, Ag(n) (n=1-6), to the DNA bases adenine (A), cytosine (C), guanine (G), and thymine (T) and the absorption spectra of the silver cluster-base complexes. Using density functional theory (DFT), we find that the clusters prefer to bind to the doubly bonded ring nitrogens and that binding to T is generally much weaker than to C, G, and A. Ag(3) and Ag(4) make the stronger bonds. Bader charge analysis indicates a mild electron transfer from the base to the clusters for all bases, except T. The donor bases (C, G, and A) bind to the sites on the cluster where the lowest unoccupied molecular orbital has a pronounced protrusion. The site where cluster binds to the base is controlled by the shape of the higher occupied states of the base. Time-dependent DFT calculations show that different base-cluster isomers may have very different absorption spectra. In particular, we find new excitations in base-cluster molecules, at energies well below those of the isolated components, and with strengths that depend strongly on the orientations of planar clusters with respect to the base planes. Our results suggest that geometric constraints on binding, imposed by designed DNA structures, may be a feasible route to engineering the selection of specific cluster-base assemblies.

Rational design and validation of a vanilloid-sensitive TRPV2 ion channel.

PubMed

Yang, Fan; Vu, Simon; Yarov-Yarovoy, Vladimir; Zheng, Jie

2016-06-28

Vanilloids activation of TRPV1 represents an excellent model system of ligand-gated ion channels. Recent studies using cryo-electron microcopy (cryo-EM), computational analysis, and functional quantification revealed the location of capsaicin-binding site and critical residues mediating ligand-binding and channel activation. Based on these new findings, here we have successfully introduced high-affinity binding of capsaicin and resiniferatoxin to the vanilloid-insensitive TRPV2 channel, using a rationally designed minimal set of four point mutations (F467S-S498F-L505T-Q525E, termed TRPV2_Quad). We found that binding of resiniferatoxin activates TRPV2_Quad but the ligand-induced open state is relatively unstable, whereas binding of capsaicin to TRPV2_Quad antagonizes resiniferatoxin-induced activation likely through competition for the same binding sites. Using Rosetta-based molecular docking, we observed a common structural mechanism underlying vanilloids activation of TRPV1 and TRPV2_Quad, where the ligand serves as molecular "glue" that bridges the S4-S5 linker to the S1-S4 domain to open these channels. Our analysis revealed that capsaicin failed to activate TRPV2_Quad likely due to structural constraints preventing such bridge formation. These results not only validate our current working model for capsaicin activation of TRPV1 but also should help guide the design of drug candidate compounds for this important pain sensor.

The importance of topography controlled sub-grid process heterogeneity in distributed hydrological models

NASA Astrophysics Data System (ADS)

Nijzink, R. C.; Samaniego, L.; Mai, J.; Kumar, R.; Thober, S.; Zink, M.; Schäfer, D.; Savenije, H. H. G.; Hrachowitz, M.

2015-12-01

Heterogeneity of landscape features like terrain, soil, and vegetation properties affect the partitioning of water and energy. However, it remains unclear to which extent an explicit representation of this heterogeneity at the sub-grid scale of distributed hydrological models can improve the hydrological consistency and the robustness of such models. In this study, hydrological process complexity arising from sub-grid topography heterogeneity was incorporated in the distributed mesoscale Hydrologic Model (mHM). Seven study catchments across Europe were used to test whether (1) the incorporation of additional sub-grid variability on the basis of landscape-derived response units improves model internal dynamics, (2) the application of semi-quantitative, expert-knowledge based model constraints reduces model uncertainty; and (3) the combined use of sub-grid response units and model constraints improves the spatial transferability of the model. Unconstrained and constrained versions of both, the original mHM and mHMtopo, which allows for topography-based sub-grid heterogeneity, were calibrated for each catchment individually following a multi-objective calibration strategy. In addition, four of the study catchments were simultaneously calibrated and their feasible parameter sets were transferred to the remaining three receiver catchments. In a post-calibration evaluation procedure the probabilities of model and transferability improvement, when accounting for sub-grid variability and/or applying expert-knowledge based model constraints, were assessed on the basis of a set of hydrological signatures. In terms of the Euclidian distance to the optimal model, used as overall measure for model performance with respect to the individual signatures, the model improvement achieved by introducing sub-grid heterogeneity to mHM in mHMtopo was on average 13 %. The addition of semi-quantitative constraints to mHM and mHMtopo resulted in improvements of 13 and 19 % respectively, compared to the base case of the unconstrained mHM. Most significant improvements in signature representations were, in particular, achieved for low flow statistics. The application of prior semi-quantitative constraints further improved the partitioning between runoff and evaporative fluxes. Besides, it was shown that suitable semi-quantitative prior constraints in combination with the transfer function based regularization approach of mHM, can be beneficial for spatial model transferability as the Euclidian distances for the signatures improved on average by 2 %. The effect of semi-quantitative prior constraints combined with topography-guided sub-grid heterogeneity on transferability showed a more variable picture of improvements and deteriorations, but most improvements were observed for low flow statistics.

Spectral constraints on models of gas in clusters of galaxies

NASA Technical Reports Server (NTRS)

Henriksen, M. J.; Mushotzky, R.

1985-01-01

The HEAO 1A2 spectra of clusters of galaxies are used to determine the temperature profile which characterizes the X-ray emitting gas. Strong evidence of nonisothermality is found for the Coma, A85, and A1795 clusters. Properties of the cluster potential which binds the gas are calculated for a range of model parameters. The typical binding mass, if the gas is adiabatic, is 2-4E14 solar masses and is quite centrally concentrated. In addition, the Fe abundance in Coma is .26 + or - .06 solar, less than the typical value (.5) found for rich clusters. The results for the gas in Coma may imply a physical description of the cluster which is quite different from what was previously believed.

Cosmological constraints from galaxy clusters in the 2500 square-degree SPT-SZ survey

DOE PAGES

Haan, T. de; Benson, B. A.; Bleem, L. E.; ...

2016-11-18

Here, we present cosmological parameter constraints obtained from galaxy clusters identified by their Sunyaev–Zel’dovich effect signature in the 2500 square-degree South Pole Telescope Sunyaev Zel’dovich (SPT-SZ) survey. We consider the 377 cluster candidates identified atmore » $$z\\gt 0.25$$ with a detection significance greater than five, corresponding to the 95% purity threshold for the survey. We compute constraints on cosmological models using the measured cluster abundance as a function of mass and redshift. We include additional constraints from multi-wavelength observations, including Chandra X-ray data for 82 clusters and a weak lensing-based prior on the normalization of the mass-observable scaling relations. Assuming a spatially flat ΛCDM cosmology, we combine the cluster data with a prior on H (0) and find $${\\sigma }_{8}=0.784\\pm 0.039$$ and $${{\\rm{\\Omega }}}_{m}=0.289\\pm 0.042$$, with the parameter combination $${\\sigma }_{8}{({{\\rm{\\Omega }}}_{m}/0.27)}^{0.3}=0.797\\pm 0.031$$. These results are in good agreement with constraints from the cosmic microwave background (CMB) from SPT, WMAP, and Planck, as well as with constraints from other cluster data sets. We also consider several extensions to ΛCDM, including models in which the equation of state of dark energy w, the species-summed neutrino mass, and/or the effective number of relativistic species ($${N}_{\\mathrm{eff}}$$) are free parameters. When combined with constraints from the Planck CMB, H (0), baryon acoustic oscillation, and SNe, adding the SPT cluster data improves the w constraint by 14%, to $$w=-1.023\\pm 0.042$$.« less

Cosmological constraints from galaxy clusters in the 2500 square-degree SPT-SZ survey

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

Haan, T. de; Benson, B. A.; Bleem, L. E.

Here, we present cosmological parameter constraints obtained from galaxy clusters identified by their Sunyaev–Zel’dovich effect signature in the 2500 square-degree South Pole Telescope Sunyaev Zel’dovich (SPT-SZ) survey. We consider the 377 cluster candidates identified atmore » $$z\\gt 0.25$$ with a detection significance greater than five, corresponding to the 95% purity threshold for the survey. We compute constraints on cosmological models using the measured cluster abundance as a function of mass and redshift. We include additional constraints from multi-wavelength observations, including Chandra X-ray data for 82 clusters and a weak lensing-based prior on the normalization of the mass-observable scaling relations. Assuming a spatially flat ΛCDM cosmology, we combine the cluster data with a prior on H (0) and find $${\\sigma }_{8}=0.784\\pm 0.039$$ and $${{\\rm{\\Omega }}}_{m}=0.289\\pm 0.042$$, with the parameter combination $${\\sigma }_{8}{({{\\rm{\\Omega }}}_{m}/0.27)}^{0.3}=0.797\\pm 0.031$$. These results are in good agreement with constraints from the cosmic microwave background (CMB) from SPT, WMAP, and Planck, as well as with constraints from other cluster data sets. We also consider several extensions to ΛCDM, including models in which the equation of state of dark energy w, the species-summed neutrino mass, and/or the effective number of relativistic species ($${N}_{\\mathrm{eff}}$$) are free parameters. When combined with constraints from the Planck CMB, H (0), baryon acoustic oscillation, and SNe, adding the SPT cluster data improves the w constraint by 14%, to $$w=-1.023\\pm 0.042$$.« less

Figure/ground segregation from temporal delay is best at high spatial frequencies.

PubMed

Kojima, H

1998-12-01

Two experiments investigated the role of spatial frequency in performance of a figure/ground segregation task based on temporal cues. Figure orientation was much easier to judge when figure and ground portions of the target were defined exclusively by random texture composed entirely of high spatial frequencies. When target components were defined by low spatial frequencies only, the task was nearly impossible except with long temporal delay between figure and ground. These results are inconsistent with the hypothesis that M-cell activity is primarily responsible for figure/ground segregation from temporal delay. Instead, these results point to a distinction between temporal integration and temporal differentiation. Additionally, the present results can be related to recent work on the binding of spatial features over time.

Biophysical Fitness Landscapes for Transcription Factor Binding Sites

PubMed Central

Haldane, Allan; Manhart, Michael; Morozov, Alexandre V.

2014-01-01

Phenotypic states and evolutionary trajectories available to cell populations are ultimately dictated by complex interactions among DNA, RNA, proteins, and other molecular species. Here we study how evolution of gene regulation in a single-cell eukaryote S. cerevisiae is affected by interactions between transcription factors (TFs) and their cognate DNA sites. Our study is informed by a comprehensive collection of genomic binding sites and high-throughput in vitro measurements of TF-DNA binding interactions. Using an evolutionary model for monomorphic populations evolving on a fitness landscape, we infer fitness as a function of TF-DNA binding to show that the shape of the inferred fitness functions is in broad agreement with a simple functional form inspired by a thermodynamic model of two-state TF-DNA binding. However, the effective parameters of the model are not always consistent with physical values, indicating selection pressures beyond the biophysical constraints imposed by TF-DNA interactions. We find little statistical support for the fitness landscape in which each position in the binding site evolves independently, indicating that epistasis is common in the evolution of gene regulation. Finally, by correlating TF-DNA binding energies with biological properties of the sites or the genes they regulate, we are able to rule out several scenarios of site-specific selection, under which binding sites of the same TF would experience different selection pressures depending on their position in the genome. These findings support the existence of universal fitness landscapes which shape evolution of all sites for a given TF, and whose properties are determined in part by the physics of protein-DNA interactions. PMID:25010228

Analysis and prediction of calcium-binding pockets from apo-protein structures exhibiting calcium-induced localized conformational changes

PubMed Central

Wang, Xue; Zhao, Kun; Kirberger, Michael; Wong, Hing; Chen, Guantao; Yang, Jenny J

2010-01-01

Calcium binding in proteins exhibits a wide range of polygonal geometries that relate directly to an equally diverse set of biological functions. The binding process stabilizes protein structures and typically results in local conformational change and/or global restructuring of the backbone. Previously, we established the MUG program, which utilized multiple geometries in the Ca2+-binding pockets of holoproteins to identify such pockets, ignoring possible Ca2+-induced conformational change. In this article, we first report our progress in the analysis of Ca2+-induced conformational changes followed by improved prediction of Ca2+-binding sites in the large group of Ca2+-binding proteins that exhibit only localized conformational changes. The MUGSR algorithm was devised to incorporate side chain torsional rotation as a predictor. The output from MUGSR presents groups of residues where each group, typically containing two to five residues, is a potential binding pocket. MUGSR was applied to both X-ray apo structures and NMR holo structures, which did not use calcium distance constraints in structure calculations. Predicted pockets were validated by comparison with homologous holo structures. Defining a “correct hit” as a group of residues containing at least two true ligand residues, the sensitivity was at least 90%; whereas for a “correct hit” defined as a group of residues containing at least three true ligand residues, the sensitivity was at least 78%. These data suggest that Ca2+-binding pockets are at least partially prepositioned to chelate the ion in the apo form of the protein. PMID:20512971

Blind Deconvolution of Astronomical Images with a Constraint on Bandwidth Determined by the Parameters of the Optical System

NASA Astrophysics Data System (ADS)

Luo, Lin; Fan, Min; Shen, Mang-zuo

2008-01-01

Atmospheric turbulence severely restricts the spatial resolution of astronomical images obtained by a large ground-based telescope. In order to reduce effectively this effect, we propose a method of blind deconvolution, with a bandwidth constraint determined by the parameters of the telescope's optical system based on the principle of maximum likelihood estimation, in which the convolution error function is minimized by using the conjugate gradient algorithm. A relation between the parameters of the telescope optical system and the image's frequency-domain bandwidth is established, and the speed of convergence of the algorithm is improved by using the positivity constraint on the variables and the limited-bandwidth constraint on the point spread function. To avoid the effective Fourier frequencies exceed the cut-off frequency, it is required that each single image element (e.g., the pixel in the CCD imaging) in the sampling focal plane should be smaller than one fourth of the diameter of the diffraction spot. In the algorithm, no object-centered constraint was used, so the proposed method is suitable for the image restoration of a whole field of objects. By the computer simulation and by the restoration of an actually-observed image of α Piscium, the effectiveness of the proposed method is demonstrated.

Man-made New Orleans: some interactions between the physical and esthetic environments

Treesearch

Ronald F. Lockmann

1977-01-01

The relations between the physical environment and esthetic dimensions of the New Orleans cultural landscape are examined. The esthetic characteristics associated with New Orleans urban morphology are examined with respect to possible constraints by the physical environment. Salient townscape features such as street grid system, surface-drainage network, and spatial...

Diagrammatic Representational Constraints of Spatial Scale in Earth-Moon System Astronomy Instruction

ERIC Educational Resources Information Center

Taylor, Roger S.; Grundstrom, Erika D.

2011-01-01

Given that astronomy heavily relies on visual representations it is especially likely for individuals to assume that instructional materials, such as visual representations of the Earth-Moon system (EMS), would be relatively accurate. However, in our research, we found that images in middle-school textbooks and educational webpages were commonly…

Geographical Information Systems in Victorian Secondary Schools: Current Constraints and Opportunities

ERIC Educational Resources Information Center

Wheeler, Peter; Gordon-Brown, Lee; Peterson, Jim; Ward, Marianne

2010-01-01

Whilst widespread diffusion and adoption of spatial enabling technology, such as geographic information systems (GIS), is taking place within Australian public and private sectors, the same cannot be said for GIS within Australian secondary schools and state-based geography curricula. In the Australian state of Victoria, information regarding the…

Invasive Species Distribution Modeling (iSDM): Are absence data and dispersal constraints needed to predict actual distributions?

Treesearch

Tomáš Václavík; Ross K. Meentemeyer

2009-01-01

Species distribution models (SDMs) based on statistical relationships between occurrence data and underlying environmental conditions are increasingly used to predict spatial patterns of biological invasions and prioritize locations for early detection and control of invasion outbreaks. However, invasive species distribution models (iSDMs) face special challenges...

How to Chat in English and Chinese: Emerging Digital Language Conventions

ERIC Educational Resources Information Center

Lotherington, Heather; Xu, Yejun

2004-01-01

Rapid changes in language form and function occurring in digital environments present teachers and students of second languages alike with conundrums as to language and discourse standards. Factors affecting the changes that are emerging in digital English include the spatial and temporal possibilities and constraints of the medium, digital…

A neutral model of low-severity fire regimes

Treesearch

Don McKenzie; Amy E. Hessl

2008-01-01

Climate, topography, fuel loadings, and human activities all affect spatial and temporal patterns of fire occurrence. Because fire occurrence is a stochastic process, an understanding of baseline variability is necessary in order to identify constraints on surface fire regimes. With a suitable null, or neutral, model, characteristics of natural fire regimes estimated...

Communicating with Accelerated Observers in Minkowski Spacetime

ERIC Educational Resources Information Center

FLores, F. J.

2008-01-01

Our goal here is to determine the spatial and temporal constraints on communication between two observers at least one of which moves with constant proper acceleration in two-dimensional Minkowski spacetime. We take as a simplified model of communication one observer bouncing a light signal off another observer. Our derivations use only elementary…

rSPACE: Spatially based power analysis for conservation and ecology

Treesearch

Martha M. Ellis; Jacob S. Ivan; Jody M. Tucker; Michael K. Schwartz

2015-01-01

1.) Power analysis is an important step in designing effective monitoring programs to detect trends in plant or animal populations. Although project goals often focus on detecting changes in population abundance, logistical constraints may require data collection on population indices, such as detection/non-detection data for occupancy estimation. 2.) We describe the...

Spatial effect of new municipal solid waste landfill siting using different guidelines.

PubMed

Ahmad, Siti Zubaidah; Ahamad, Mohd Sanusi S; Yusoff, Mohd Suffian

2014-01-01

Proper implementation of landfill siting with the right regulations and constraints can prevent undesirable long-term effects. Different countries have respective guidelines on criteria for new landfill sites. In this article, we perform a comparative study of municipal solid waste landfill siting criteria stated in the policies and guidelines of eight different constitutional bodies from Malaysia, Australia, India, U.S.A., Europe, China and the Middle East, and the World Bank. Subsequently, a geographic information system (GIS) multi-criteria evaluation model was applied to determine new suitable landfill sites using different criterion parameters using a constraint mapping technique and weighted linear combination. Application of Macro Modeler provided in the GIS-IDRISI Andes software helps in building and executing multi-step models. In addition, the analytic hierarchy process technique was included to determine the criterion weight of the decision maker's preferences as part of the weighted linear combination procedure. The differences in spatial results of suitable sites obtained signifies that dissimilarity in guideline specifications and requirements will have an effect on the decision-making process.

Utilizing AI in Temporal, Spatial, and Resource Scheduling

NASA Technical Reports Server (NTRS)

Stottler, Richard; Kalton, Annaka; Bell, Aaron

2006-01-01

Aurora is a software system enabling the rapid, easy solution of complex scheduling problems involving spatial and temporal constraints among operations and scarce resources (such as equipment, workspace, and human experts). Although developed for use in the International Space Station Processing Facility, Aurora is flexible enough that it can be easily customized for application to other scheduling domains and adapted as the requirements change or become more precisely known over time. Aurora s scheduling module utilizes artificial-intelligence (AI) techniques to make scheduling decisions on the basis of domain knowledge, including knowledge of constraints and their relative importance, interdependencies among operations, and possibly frequent changes in governing schedule requirements. Unlike many other scheduling software systems, Aurora focuses on resource requirements and temporal scheduling in combination. For example, Aurora can accommodate a domain requirement to schedule two subsequent operations to locations adjacent to a shared resource. The graphical interface allows the user to quickly visualize the schedule and perform changes reflecting additional knowledge or alterations in the situation. For example, the user might drag the activity corresponding to the start of operations to reflect a late delivery.

Use of geographic information systems for applications on gas pipeline rights-of-way. Final report, December 1989--December 1991

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

Thompson, P.J.

1991-12-01

Geographic information system (GIS) applications for the siting and monitoring of gas pipeline rights-of-way for this project (ROWs) were developed for areas near Rio Vista, California. The data layers developed for this project represent geographic features, such as landcover, elevation, aspect, slope, soils, hydrography, transportation, endangered species, wetlands, and public line surveys. A GIS was used to develop and store spatial data from several sources; to manipulate spatial data to evaluate environmental and engineering issues associated with the siting, permitting, construction, maintenance, and monitoring of gas pipeline ROWS; and to graphically display analysis results. Examples of these applications include (1)more » determination of environmentally sensitive areas, such as endangered species habitat, wetlands, and areas of highly erosive soils; (2) evaluation of engineering constraints, including shallow depth to bedrock, major hydrographic features, and shallow water table; (3) classification of satellite imagery for landuse/landcover that will affect ROWs; and (4) identification of alternative ROW corridors that avoid environmentally sensitive areas or areas with severe engineering constraints.« less

Use of geographic information systems for applications on gas pipeline rights-of-way

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

Thompson, P.J.

1991-12-01

Geographic information system (GIS) applications for the siting and monitoring of gas pipeline rights-of-way for this project (ROWs) were developed for areas near Rio Vista, California. The data layers developed for this project represent geographic features, such as landcover, elevation, aspect, slope, soils, hydrography, transportation, endangered species, wetlands, and public line surveys. A GIS was used to develop and store spatial data from several sources; to manipulate spatial data to evaluate environmental and engineering issues associated with the siting, permitting, construction, maintenance, and monitoring of gas pipeline ROWS; and to graphically display analysis results. Examples of these applications include (1)more » determination of environmentally sensitive areas, such as endangered species habitat, wetlands, and areas of highly erosive soils; (2) evaluation of engineering constraints, including shallow depth to bedrock, major hydrographic features, and shallow water table; (3) classification of satellite imagery for landuse/landcover that will affect ROWs; and (4) identification of alternative ROW corridors that avoid environmentally sensitive areas or areas with severe engineering constraints.« less

Using optimal transport theory to estimate transition probabilities in metapopulation dynamics

USGS Publications Warehouse

Nichols, Jonathan M.; Spendelow, Jeffrey A.; Nichols, James D.

2017-01-01

This work considers the estimation of transition probabilities associated with populations moving among multiple spatial locations based on numbers of individuals at each location at two points in time. The problem is generally underdetermined as there exists an extremely large number of ways in which individuals can move from one set of locations to another. A unique solution therefore requires a constraint. The theory of optimal transport provides such a constraint in the form of a cost function, to be minimized in expectation over the space of possible transition matrices. We demonstrate the optimal transport approach on marked bird data and compare to the probabilities obtained via maximum likelihood estimation based on marked individuals. It is shown that by choosing the squared Euclidean distance as the cost, the estimated transition probabilities compare favorably to those obtained via maximum likelihood with marked individuals. Other implications of this cost are discussed, including the ability to accurately interpolate the population's spatial distribution at unobserved points in time and the more general relationship between the cost and minimum transport energy.

Bounds on Lithospheric Thickness on Venus from Magellan Gravity and Topography Data

NASA Technical Reports Server (NTRS)

Johnson, Catherine L.; Sandwell, David

1997-01-01

The primary objective of the work executed under NAGW-4784 is to provide constraints on the thermal and tectonic evolution of Venus. Establishing thermal and tectonic evolution models requires not only geological, but geophysical constraints, in particular the nature of temporal and spatial variations in crustal and lithospheric thickness. The major topics of study completed under NAGW-4784 (described more fully below) are: (1) detailed analyses of the resolution of Magellan Line-Of-Site (LOS) Doppler data to establish the minimum resolvable wavelength in the gravity data; (2) calculations of the global strain field in the venusian lithosphere and comparisons with global strain patterns from geological mapping; (3) study of the geological history of coronae at E. Eistla Regio; (4) estimation of crustal and lithospheric thickness by modeling of topography at asymmetric and symmetric rift-like chasmata; (5) preliminary investigations of spatial versus temporal variations in lithospheric thickness. Both the PI and Co-I have presented papers based on these topics at national and international meetings (American Geophysical Union Meetings, Lunar and Planetary Science Conferences, Chapman Conference on the Geodynamics of Venus).

A photocleavable rapamycin conjugate for spatiotemporal control of small GTPase activity.

PubMed

Umeda, Nobuhiro; Ueno, Tasuku; Pohlmeyer, Christopher; Nagano, Tetsuo; Inoue, Takanari

2011-01-12

We developed a novel method to spatiotemporally control the activity of signaling molecules. A newly synthesized photocaged rapamycin derivative induced rapid dimerization of FKBP (FK-506 binding protein) and FRB (FKBP-rapamycin binding protein) upon UV irradiation. With this system and the spatially confined UV irradiation, we achieved subcellularly localized activation of Rac, a member of small GTPases. Our technique offers a powerful approach to studies of dynamic intracellular signaling events.

The new OGC Catalogue Services 3.0 specification - status of work

NASA Astrophysics Data System (ADS)

Bigagli, Lorenzo; Voges, Uwe

2013-04-01

We report on the work of the Open Geospatial Consortium Catalogue Services 3.0 Standards Working Group (OGC Cat 3.0 SWG for short), started in March 2008, with the purpose to process change requests on the Catalogue Services 2.0.2 Implementation Specification (OGC 07-006r1) and produce a revised version thereof, comprising the related XML schemas and abstract test suite. The work was initially intended as a minor revision (version 2.1), but later retargeted as a major update of the standard and rescheduled (the anticipated roadmap ended in 2008). The target audience of Catalogue Services 3.0 includes: • Implementors of catalogue services solutions. • Designers and developers of catalogue services profiles. • Providers/users of catalogue services. The two main general areas of enhancement included: restructuring the specification document according to the OGC standard for modular specifications (OGC 08-131r3, also known as Core and Extension model); incorporating the current mass-market technologies for discovery on the Web, namely OpenSearch. The document was initially split into four parts: the general model and the three protocol bindings HTTP, Z39.50, and CORBA. The CORBA binding, which was very rarely implemented, and the Z39.50 binding have later been dropped. Parts of the Z39.50 binding, namely Search/Retrieve via URL (SRU; same semantics as Z39.50, but stateless), have been provided as a discussion paper (OGC 12-082) for possibly developing a future SRU profile. The Catalogue Services 3.0 specification is structured as follows: • Part 1: General Model (Core) • Part 2: HTTP Protocol Binding (CSW) In CSW, the GET/KVP encoding is mandatory. The POST/XML encoding is optional. SOAP is supported as a special case of the POST/XML encoding. OpenSearch must always be supported, regardless of the implemented profiles, along with the OpenSearch Geospatial and Temporal Extensions (OGC 10-032r2). The latter specifies spatial (e.g. point-plus-radius, bounding box, polygons, in EPSG:4326/WGS84 coordinates) and temporal constraints (e.g. time start/end) for searching. The temporal extent (begin/end) is added as a core queryable and returnable property. Plenty of other changes are incorporated, including improvements to query distribution, WSDL and schema documents, requirements and conformance classes. In conclusion, CS 3.0 is a long-awaited revision of the previous CS 2.0.2 Implementation Specification (approved in early 2007), whose requirements started to be collected as early as July 2007. Various profiles of CS 2.0.2 exist, with related dependencies, and will need to be harmonized with this specification.

Integrating GIS, cellular automata, and genetic algorithm in urban spatial optimization: a case study of Lanzhou

NASA Astrophysics Data System (ADS)

Xu, Xibao; Zhang, Jianming; Zhou, Xiaojian

2006-10-01

This paper presents a model integrating GIS, cellular automata (CA) and genetic algorithm (GA) in urban spatial optimization. The model involves three objectives of the maximization of land-use efficiency, the maximization of urban spatial harmony and appropriate proportion of each land-use type. CA submodel is designed with standard Moore neighbor and three transition rules to maximize the land-use efficiency and urban spatial harmony, according to the land-use suitability and spatial harmony index. GA submodel is designed with four constraints and seven steps for the maximization of urban spatial harmony and appropriate proportion of each land-use type, including encoding, initializing, calculating fitness, selection, crossover, mutation and elitism. GIS is used to prepare for the input data sets for the model and perform spatial analysis on the results, while CA and GA are integrated to optimize urban spatial structure, programmed with Matlab 7 and coupled with GIS loosely. Lanzhou, a typical valley-basin city with fast urban development, is chosen as the case study. At the end, a detail analysis and evaluation of the spatial optimization with the model are made, and it proves to be a powerful tool in optimizing urban spatial structure and make supplement for urban planning and policy-makers.

Identification of Nucleic Acid Binding Sites on Translin-Associated Factor X (TRAX) Protein

PubMed Central

Gupta, Gagan Deep; Kumar, Vinay

2012-01-01

Translin and TRAX proteins play roles in very important cellular processes such as DNA recombination, spatial and temporal expression of mRNA, and in siRNA processing. Translin forms a homomeric nucleic acid binding complex and binds to ssDNA and RNA. However, a mutant translin construct that forms homomeric complex lacking nucleic acid binding activity is able to form fully active heteromeric translin-TRAX complex when co-expressed with TRAX. A substantial progress has been made in identifying translin sites that mediate its binding activity, while TRAX was thought not to bind DNA or RNA on its own. We here for the first time demonstrate nucleic acid binding to TRAX by crosslinking radiolabeled ssDNA to heteromeric translin-TRAX complex using UV-laser. The TRAX and translin, photochemically crosslinked with ssDNA, were individually detected on SDS-PAGE. We mutated two motifs in TRAX and translin, designated B2 and B3, to help define the nucleic acid binding sites in the TRAX sequence. The most pronounced effect was observed in the mutants of B3 motif that impaired nucleic acid binding activity of the heteromeric complexes. We suggest that both translin and TRAX are binding competent and contribute to the nucleic acid binding activity. PMID:22427937

Spatial and temporal order memory in Korsakoff patients.

PubMed

Postma, Albert; Van Asselen, Marieke; Keuper, Olga; Wester, Arie J; Kessels, Roy P C

2006-05-01

This study directly compared how well Korsakoff patients can process spatial and temporal order information in memory under conditions that included presentation of only a single feature (i.e., temporal or spatial information), combined spatiotemporal presentation, and combined spatiotemporal order recall. Korsakoff patients were found to suffer comparable spatial and temporal order recall deficits. Of interest, recall of a single feature was the same when only spatial or temporal information was presented compared to conditions that included combined spatiotemporal, presentation and recall. In contrast, control participants performed worse when they have to recall both spatial and temporal order compared to when they have to recall only one of these features. These findings together indicate that spatial and temporal information are not automatically integrated. Korsakoff patients have profound problems in coding the feature at hand. Moreover, their lower recall of both features at the same time suggests that Korsakoff patients are impaired in binding different contextual attributes together in memory.

Local SAR in Parallel Transmission Pulse Design

PubMed Central

Lee, Joonsung; Gebhardt, Matthias; Wald, Lawrence L.; Adalsteinsson, Elfar

2011-01-01

The management of local and global power deposition in human subjects (Specific Absorption Rate, SAR) is a fundamental constraint to the application of parallel transmission (pTx) systems. Even though the pTx and single channel have to meet the same SAR requirements, the complex behavior of the spatial distribution of local SAR for transmission arrays poses problems that are not encountered in conventional single-channel systems and places additional requirements on pTx RF pulse design. We propose a pTx pulse design method which builds on recent work to capture the spatial distribution of local SAR in numerical tissue models in a compressed parameterization in order to incorporate local SAR constraints within computation times that accommodate pTx pulse design during an in vivo MRI scan. Additionally, the algorithm yields a Protocol-specific Ultimate Peak in Local SAR (PUPiL SAR), which is shown to bound the achievable peak local SAR for a given excitation profile fidelity. The performance of the approach was demonstrated using a numerical human head model and a 7T eight-channel transmit array. The method reduced peak local 10g SAR by 14–66% for slice-selective pTx excitations and 2D selective pTx excitations compared to a pTx pulse design constrained only by global SAR. The primary tradeoff incurred for reducing peak local SAR was an increase in global SAR, up to 34% for the evaluated examples, which is favorable in cases where local SAR constraints dominate the pulse applications. PMID:22083594

Considering the dynamic refueling behavior in locating electric vehicle charging stations

NASA Astrophysics Data System (ADS)

Liu, K.; Sun, X. H.

2014-11-01

Electric vehicles (EVs) will certainly play an important role in addressing the energy and environmental challenges at current situation. However, location problem of EV charging stations was realized as one of the key issues of EVs launching strategy. While for the case of locating EV charging stations, more influence factors and constraints need to be considered since the EVs have some special attributes. The minimum requested charging time for EVs is usually more than 30minutes, therefore the possible delay time due to waiting or looking for an available station is one of the most important influence factors. In addition, the intention to purchase and use of EVs that also affects the location of EV charging stations is distributed unevenly among regions and should be considered when modelling. Unfortunately, these kinds of time-spatial constraints were always ignored in previous models. Based on the related research of refuelling behaviours and refuelling demands, this paper developed a new concept with dual objectives of minimum waiting time and maximum service accessibility for locating EV charging stations - named as Time-Spatial Location Model (TSLM). The proposed model and the traditional flow-capturing location model are applied on an example network respectively and the results are compared. Results demonstrate that time constraint has great effects on the location of EV charging stations. The proposed model has some obvious advantages and will help energy providers to make a viable plan for the network of EV charging stations.

Quantitative Susceptibility Mapping using Structural Feature based Collaborative Reconstruction (SFCR) in the Human Brain

PubMed Central

Cai, Congbo; Chen, Zhong; van Zijl, Peter C.M.

2017-01-01

The reconstruction of MR quantitative susceptibility mapping (QSM) from local phase measurements is an ill posed inverse problem and different regularization strategies incorporating a priori information extracted from magnitude and phase images have been proposed. However, the anatomy observed in magnitude and phase images does not always coincide spatially with that in susceptibility maps, which could give erroneous estimation in the reconstructed susceptibility map. In this paper, we develop a structural feature based collaborative reconstruction (SFCR) method for QSM including both magnitude and susceptibility based information. The SFCR algorithm is composed of two consecutive steps corresponding to complementary reconstruction models, each with a structural feature based l1 norm constraint and a voxel fidelity based l2 norm constraint, which allows both the structure edges and tiny features to be recovered, whereas the noise and artifacts could be reduced. In the M-step, the initial susceptibility map is reconstructed by employing a k-space based compressed sensing model incorporating magnitude prior. In the S-step, the susceptibility map is fitted in spatial domain using weighted constraints derived from the initial susceptibility map from the M-step. Simulations and in vivo human experiments at 7T MRI show that the SFCR method provides high quality susceptibility maps with improved RMSE and MSSIM. Finally, the susceptibility values of deep gray matter are analyzed in multiple head positions, with the supine position most approximate to the gold standard COSMOS result. PMID:27019480

Evaluating the impacts of real-time pricing on the usage of wind generation

DOE PAGES

Sioshansi, Ramteen; Short, Walter

2009-02-13

One of the impediments to large-scale use of wind generation within power systems is its nondispatchability and variable and uncertain real-time availability. Operating constraints on conventional generators such as minimum generation points, forbidden zones, and ramping limits as well as system constraints such as power flow limits and ancillary service requirements may force a system operator to curtail wind generation in order to ensure feasibility. Furthermore, the pattern of wind availability and electricity demand may not allow wind generation to be fully utilized in all hours. One solution to these issues, which could reduce these inflexibilities, is the use ofmore » real-time pricing (RTP) tariffs which can both smooth-out the diurnal load pattern in order to reduce the impact of binding unit operating and system constraints on wind utilization, and allow demand to increase in response to the availability of costless wind generation. As a result, we use and analyze a detailed unit commitment model of the Texas power system with different estimates of demand elasticities to demonstrate the potential increases in wind generation from implementing RTP.« less

Decentralized Fuzzy MPC on Spatial Power Control of a Large PHWR

NASA Astrophysics Data System (ADS)

Liu, Xiangjie; Jiang, Di; Lee, Kwang Y.

2016-08-01

Reliable power control for stabilizing the spatial oscillations is quite important for ensuring the safe operation of a modern pressurized heavy water reactor (PHWR), since these spatial oscillations can cause “flux tilting” in the reactor core. In this paper, a decentralized fuzzy model predictive control (DFMPC) is proposed for spatial control of PHWR. Due to the load dependent dynamics of the nuclear power plant, fuzzy modeling is used to approximate the nonlinear process. A fuzzy Lyapunov function and “quasi-min-max” strategy is utilized in designing the DFMPC, to reduce the conservatism. The plant-wide stability is achieved by the asymptotically positive realness constraint (APRC) for this decentralized MPC. The solving optimization problem is based on a receding horizon scheme involving the linear matrix inequalities (LMIs) technique. Through dynamic simulations, it is demonstrated that the designed DFMPC can effectively suppress spatial oscillations developed in PHWR, and further, shows the advantages over the typical parallel distributed compensation (PDC) control scheme.

Spatial modeling of the geographic distribution of wildlife populations: A case study in the lower Mississippi River region

USGS Publications Warehouse

Ji, W.; Jeske, C.

2000-01-01

A geographic information system (GIS)-based spatial modeling approach was developed to study environmental and land use impacts on the geographic distribution of wintering northern pintails (Arias acuta) in the Lower Mississippi River region. Pintails were fitted with backpack radio transmitter packages at Catahoula Lake, LA, in October 1992-1994 and located weekly through the following March. Pintail survey data were converted into a digital database in ARC/INFO GIS format and integrated with environmental GIS data through a customized modeling interface. The study verified the relationship between pintail distributions and major environmental factors and developed a conceptual relation model. Visualization-based spatial simulations were used to display the movement patterns of specific population groups under spatial and temporal constraints. The spatial modeling helped understand the seasonal movement patterns of pintails in relation to their habitat usage in Arkansas and southwestern Louisiana for wintering and interchange situations among population groups wintering in Texas and southeastern Louisiana. (C) 2000 Elsevier Science B.V.

Spatial networks

NASA Astrophysics Data System (ADS)

Barthélemy, Marc

2011-02-01

Complex systems are very often organized under the form of networks where nodes and edges are embedded in space. Transportation and mobility networks, Internet, mobile phone networks, power grids, social and contact networks, and neural networks, are all examples where space is relevant and where topology alone does not contain all the information. Characterizing and understanding the structure and the evolution of spatial networks is thus crucial for many different fields, ranging from urbanism to epidemiology. An important consequence of space on networks is that there is a cost associated with the length of edges which in turn has dramatic effects on the topological structure of these networks. We will thoroughly explain the current state of our understanding of how the spatial constraints affect the structure and properties of these networks. We will review the most recent empirical observations and the most important models of spatial networks. We will also discuss various processes which take place on these spatial networks, such as phase transitions, random walks, synchronization, navigation, resilience, and disease spread.

Need for Improved Methods to Collect and Present Spatial Epidemiologic Data for Vectorborne Diseases

PubMed Central

Eisen, Rebecca J.

2007-01-01

Improved methods for collection and presentation of spatial epidemiologic data are needed for vectorborne diseases in the United States. Lack of reliable data for probable pathogen exposure site has emerged as a major obstacle to the development of predictive spatial risk models. Although plague case investigations can serve as a model for how to ideally generate needed information, this comprehensive approach is cost-prohibitive for more common and less severe diseases. New methods are urgently needed to determine probable pathogen exposure sites that will yield reliable results while taking into account economic and time constraints of the public health system and attending physicians. Recent data demonstrate the need for a change from use of the county spatial unit for presentation of incidence of vectorborne diseases to more precise ZIP code or census tract scales. Such fine-scale spatial risk patterns can be communicated to the public and medical community through Web-mapping approaches. PMID:18258029

Divided spatial attention and feature-mixing errors.

PubMed

Golomb, Julie D

2015-11-01

Spatial attention is thought to play a critical role in feature binding. However, often multiple objects or locations are of interest in our environment, and we need to shift or split attention between them. Recent evidence has demonstrated that shifting and splitting spatial attention results in different types of feature-binding errors. In particular, when two locations are simultaneously sharing attentional resources, subjects are susceptible to feature-mixing errors; that is, they tend to report a color that is a subtle blend of the target color and the color at the other attended location. The present study was designed to test whether these feature-mixing errors are influenced by target-distractor similarity. Subjects were cued to split attention across two different spatial locations, and were subsequently presented with an array of colored stimuli, followed by a postcue indicating which color to report. Target-distractor similarity was manipulated by varying the distance in color space between the two attended stimuli. Probabilistic modeling in all cases revealed shifts in the response distribution consistent with feature-mixing errors; however, the patterns differed considerably across target-distractor color distances. With large differences in color, the findings replicated the mixing result, but with small color differences, repulsion was instead observed, with the reported target color shifted away from the other attended color.

Do you remember where sounds, pictures and words came from? The role of the stimulus format in object location memory.

PubMed

Delogu, Franco; Lilla, Christopher C

2017-11-01

Contrasting results in visual and auditory spatial memory stimulate the debate over the role of sensory modality and attention in identity-to-location binding. We investigated the role of sensory modality in the incidental/deliberate encoding of the location of a sequence of items. In 4 separated blocks, 88 participants memorised sequences of environmental sounds, spoken words, pictures and written words, respectively. After memorisation, participants were asked to recognise old from new items in a new sequence of stimuli. They were also asked to indicate from which side of the screen (visual stimuli) or headphone channel (sounds) the old stimuli were presented in encoding. In the first block, participants were not aware of the spatial requirement while, in blocks 2, 3 and 4 they knew that their memory for item location was going to be tested. Results show significantly lower accuracy of object location memory for the auditory stimuli (environmental sounds and spoken words) than for images (pictures and written words). Awareness of spatial requirement did not influence localisation accuracy. We conclude that: (a) object location memory is more effective for visual objects; (b) object location is implicitly associated with item identity during encoding and (c) visual supremacy in spatial memory does not depend on the automaticity of object location binding.

Synchrony, Waves, and Spatial Hierarchies in the Spread of Influenza

NASA Astrophysics Data System (ADS)

Viboud, Cécile; Bjørnstad, Ottar N.; Smith, David L.; Simonsen, Lone; Miller, Mark A.; Grenfell, Bryan T.

2006-04-01

Quantifying long-range dissemination of infectious diseases is a key issue in their dynamics and control. Here, we use influenza-related mortality data to analyze the between-state progression of interpandemic influenza in the United States over the past 30 years. Outbreaks show hierarchical spatial spread evidenced by higher pairwise synchrony between more populous states. Seasons with higher influenza mortality are associated with higher disease transmission and more rapid spread than are mild ones. The regional spread of infection correlates more closely with rates of movement of people to and from their workplaces (workflows) than with geographical distance. Workflows are described in turn by a gravity model, with a rapid decay of commuting up to around 100 km and a long tail of rare longer range flow. A simple epidemiological model, based on the gravity formulation, captures the observed increase of influenza spatial synchrony with transmissibility; high transmission allows influenza to spread rapidly beyond local spatial constraints.

Effect of mothering on the spatial exploratory behavior of quail chicks.

PubMed

de Margerie, E; Peris, A; Pittet, F; Houdelier, C; Lumineau, S; Richard-Yris, M-A

2013-04-01

Previous maternal deprivation experiments demonstrated that absence of maternal care impacts the behavioral development of young animals. Here we assessed the influence of the presence of a mothering hen on the spatial exploration of Japanese quail chicks, after the mothering period. Brooded and nonbrooded chicks were placed in a novel environment containing feeding troughs. The distribution of chicks and their inter-individual distances were measured during repeated tests. Brooded chicks exhibited a higher ability to disperse, thereby progressively exploiting larger surfaces and gaining access to food more easily. The fact that exploration by nonbrooded chicks was delayed suggests a deficit in their exploratory motivation and/or spatial skills. We hypothesize that brooded chicks experienced the constraint to follow the mothering hen, and to adapt to frequent reconfigurations of their environment. The lack of this variability in the environment of nonbrooded chicks could have reduced adaptability of their spatial behavior. Copyright © 2012 Wiley Periodicals, Inc.

Lagrange constraint neural network for audio varying BSS

NASA Astrophysics Data System (ADS)

Szu, Harold H.; Hsu, Charles C.

2002-03-01

Lagrange Constraint Neural Network (LCNN) is a statistical-mechanical ab-initio model without assuming the artificial neural network (ANN) model at all but derived it from the first principle of Hamilton and Lagrange Methodology: H(S,A)= f(S)- (lambda) C(s,A(x,t)) that incorporates measurement constraint C(S,A(x,t))= (lambda) ([A]S-X)+((lambda) 0-1)((Sigma) isi -1) using the vector Lagrange multiplier-(lambda) and a- priori Shannon Entropy f(S) = -(Sigma) i si log si as the Contrast function of unknown number of independent sources si. Szu et al. have first solved in 1997 the general Blind Source Separation (BSS) problem for spatial-temporal varying mixing matrix for the real world remote sensing where a large pixel footprint implies the mixing matrix [A(x,t)] necessarily fill with diurnal and seasonal variations. Because the ground truth is difficult to be ascertained in the remote sensing, we have thus illustrated in this paper, each step of the LCNN algorithm for the simulated spatial-temporal varying BSS in speech, music audio mixing. We review and compare LCNN with other popular a-posteriori Maximum Entropy methodologies defined by ANN weight matrix-[W] sigmoid-(sigma) post processing H(Y=(sigma) ([W]X)) by Bell-Sejnowski, Amari and Oja (BSAO) called Independent Component Analysis (ICA). Both are mirror symmetric of the MaxEnt methodologies and work for a constant unknown mixing matrix [A], but the major difference is whether the ensemble average is taken at neighborhood pixel data X's in BASO or at the a priori sources S variables in LCNN that dictates which method works for spatial-temporal varying [A(x,t)] that would not allow the neighborhood pixel average. We expected the success of sharper de-mixing by the LCNN method in terms of a controlled ground truth experiment in the simulation of variant mixture of two music of similar Kurtosis (15 seconds composed of Saint-Saens Swan and Rachmaninov cello concerto).

Localized Spatio-Temporal Constraints for Accelerated CMR Perfusion

PubMed Central

Akçakaya, Mehmet; Basha, Tamer A.; Pflugi, Silvio; Foppa, Murilo; Kissinger, Kraig V.; Hauser, Thomas H.; Nezafat, Reza

2013-01-01

Purpose To develop and evaluate an image reconstruction technique for cardiac MRI (CMR)perfusion that utilizes localized spatio-temporal constraints. Methods CMR perfusion plays an important role in detecting myocardial ischemia in patients with coronary artery disease. Breath-hold k-t based image acceleration techniques are typically used in CMR perfusion for superior spatial/temporal resolution, and improved coverage. In this study, we propose a novel compressed sensing based image reconstruction technique for CMR perfusion, with applicability to free-breathing examinations. This technique uses local spatio-temporal constraints by regularizing image patches across a small number of dynamics. The technique is compared to conventional dynamic-by-dynamic reconstruction, and sparsity regularization using a temporal principal-component (pc) basis, as well as zerofilled data in multi-slice 2D and 3D CMR perfusion. Qualitative image scores are used (1=poor, 4=excellent) to evaluate the technique in 3D perfusion in 10 patients and 5 healthy subjects. On 4 healthy subjects, the proposed technique was also compared to a breath-hold multi-slice 2D acquisition with parallel imaging in terms of signal intensity curves. Results The proposed technique results in images that are superior in terms of spatial and temporal blurring compared to the other techniques, even in free-breathing datasets. The image scores indicate a significant improvement compared to other techniques in 3D perfusion (2.8±0.5 vs. 2.3±0.5 for x-pc regularization, 1.7±0.5 for dynamic-by-dynamic, 1.1±0.2 for zerofilled). Signal intensity curves indicate similar dynamics of uptake between the proposed method with a 3D acquisition and the breath-hold multi-slice 2D acquisition with parallel imaging. Conclusion The proposed reconstruction utilizes sparsity regularization based on localized information in both spatial and temporal domains for highly-accelerated CMR perfusion with potential utility in free-breathing 3D acquisitions. PMID:24123058

Possible orientational constraints determine secretory signals induced by aggregation of IgE receptors on mast cells.

PubMed Central

Ortega, E; Schweitzer-Stenner, R; Pecht, I

1988-01-01

Three biologically active monoclonal antibodies (mAbs) specific for the monovalent, high-affinity membrane receptor for IgE (Fc epsilon R) were employed in analysing the secretory response of mast cells of the RBL-2H3 line to crosslinking of their Fc epsilon R. All three mAbs (designated F4, H10 and J17) compete with each other and with IgE for binding to the Fc epsilon R. Their stoichiometry of binding is 1 Fab:1 Fc epsilon R, hence, the intact mAbs can aggregate the Fc epsilon Rs to dimers only. Since all three mAbs induce secretion, we conclude that Fc epsilon R dimers constitute a sufficient 'signal element' for secretion of mediators for RBL-2H3 cells. The secretory dose-response of the cells to these three mAbs are, however, markedly different: F4 caused rather high secretion, reaching almost 80% of the cells' content, while J17 and H10 induced release of only 30-40% mediators content. Both the intrinsic affinities and equilibrium constants for the receptor dimerization were derived from analysis of binding data of the Fab fragments and intact mAbs. These parameters were used to compute the extent of Fc epsilon R dimerization caused by each of the antibodies. However, the different secretory responses to the three mAbs could not be rationalized simply in terms of the extent of Fc epsilon R dimerization which they produce. This suggests that it is not only the number of crosslinked Fc epsilon Rs which determines the magnitude of secretion-causing signal, but rather other constraints imposed by each individual mAb are also important.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:2977332

Solution structure of the DNA-binding domain of the heat shock transcription factor determined by multidimensional heteronuclear magnetic resonance spectroscopy.

PubMed Central

Damberger, F. F.; Pelton, J. G.; Harrison, C. J.; Nelson, H. C.; Wemmer, D. E.

1994-01-01

The solution structure of the 92-residue DNA-binding domain of the heat shock transcription factor from Kluyveromyces lactis has been determined using multidimensional NMR methods. Three-dimensional (3D) triple resonance, 1H-13C-13C-1H total correlation spectroscopy, and 15N-separated total correlation spectroscopy-heteronuclear multiple quantum correlation experiments were used along with various 2D spectra to make nearly complete assignments for the backbone and side-chain 1H, 15N, and 13C resonances. Five-hundred eighty-three NOE constraints identified in 3D 13C- and 15N-separated NOE spectroscopy (NOESY)-heteronuclear multiple quantum correlation spectra and a 4-dimensional 13C/13C-edited NOESY spectrum, along with 35 phi, 9 chi 1, and 30 hydrogen bond constraints, were used to calculate 30 structures by hybrid distance geometry/stimulated annealing protocol, of which 24 were used for structural comparison. The calculations revealed that a 3-helix bundle packs against a small 4-stranded antiparallel beta-sheet. The backbone RMS deviation (RMSD) for the family of structures was 1.03 +/- 0.19 A with respect to the average structure. The topology is analogous to that of the C-terminal domain of the catabolite gene activator protein and appears to be in the helix-turn-helix family of DNA-binding proteins. The overall fold determined by the NMR data is consistent with recent crystallographic work on this domain (Harrison CJ, Bohm AA, Nelson HCM, 1994, Science 263:224) as evidenced by RMSD between backbone atoms in the NMR and X-ray structures of 1.77 +/- 0.20 A. Several differences were identified some of which may be due to protein-protein interactions in the crystal. PMID:7849597

Voxel inversion of airborne electromagnetic data for improved groundwater model construction and prediction accuracy

NASA Astrophysics Data System (ADS)

Kruse Christensen, Nikolaj; Ferre, Ty Paul A.; Fiandaca, Gianluca; Christensen, Steen

2017-03-01

We present a workflow for efficient construction and calibration of large-scale groundwater models that includes the integration of airborne electromagnetic (AEM) data and hydrological data. In the first step, the AEM data are inverted to form a 3-D geophysical model. In the second step, the 3-D geophysical model is translated, using a spatially dependent petrophysical relationship, to form a 3-D hydraulic conductivity distribution. The geophysical models and the hydrological data are used to estimate spatially distributed petrophysical shape factors. The shape factors primarily work as translators between resistivity and hydraulic conductivity, but they can also compensate for structural defects in the geophysical model. The method is demonstrated for a synthetic case study with sharp transitions among various types of deposits. Besides demonstrating the methodology, we demonstrate the importance of using geophysical regularization constraints that conform well to the depositional environment. This is done by inverting the AEM data using either smoothness (smooth) constraints or minimum gradient support (sharp) constraints, where the use of sharp constraints conforms best to the environment. The dependency on AEM data quality is also tested by inverting the geophysical model using data corrupted with four different levels of background noise. Subsequently, the geophysical models are used to construct competing groundwater models for which the shape factors are calibrated. The performance of each groundwater model is tested with respect to four types of prediction that are beyond the calibration base: a pumping well's recharge area and groundwater age, respectively, are predicted by applying the same stress as for the hydrologic model calibration; and head and stream discharge are predicted for a different stress situation. As expected, in this case the predictive capability of a groundwater model is better when it is based on a sharp geophysical model instead of a smoothness constraint. This is true for predictions of recharge area, head change, and stream discharge, while we find no improvement for prediction of groundwater age. Furthermore, we show that the model prediction accuracy improves with AEM data quality for predictions of recharge area, head change, and stream discharge, while there appears to be no accuracy improvement for the prediction of groundwater age.

Constrained positive matrix factorization: Elemental ratios, spatial distinction, and chemical transport model source contributions

NASA Astrophysics Data System (ADS)

Sturtz, Timothy M.

Source apportionment models attempt to untangle the relationship between pollution sources and the impacts at downwind receptors. Two frameworks of source apportionment models exist: source-oriented and receptor-oriented. Source based apportionment models use presumed emissions and atmospheric processes to estimate the downwind source contributions. Conversely, receptor based models leverage speciated concentration data from downwind receptors and apply statistical methods to predict source contributions. Integration of both source-oriented and receptor-oriented models could lead to a better understanding of the implications sources have on the environment and society. The research presented here investigated three different types of constraints applied to the Positive Matrix Factorization (PMF) receptor model within the framework of the Multilinear Engine (ME-2): element ratio constraints, spatial separation constraints, and chemical transport model (CTM) source attribution constraints. PM10-2.5 mass and trace element concentrations were measured in Winston-Salem, Chicago, and St. Paul at up to 60 sites per city during two different seasons in 2010. PMF was used to explore the underlying sources of variability. Information on previously reported PM10-2.5 tire and brake wear profiles were used to constrain these features in PMF by prior specification of selected species ratios. We also modified PMF to allow for combining the measurements from all three cities into a single model while preserving city-specific soil features. Relatively minor differences were observed between model predictions with and without the prior ratio constraints, increasing confidence in our ability to identify separate brake wear and tire wear features. Using separate data, source contributions to total fine particle carbon predicted by a CTM were incorporated into the PMF receptor model to form a receptor-oriented hybrid model. The level of influence of the CTM versus traditional PMF was varied using a weighting parameter applied to an object function as implemented in ME-2. The resulting hybrid model was used to quantify the contributions of total carbon from both wildfires and biogenic sources at two Interagency Monitoring of Protected Visual Environment monitoring sites, Monture and Sula Peak, Montana, from 2006 through 2008.

Effects of spatial constraints on channel network topology: Implications for geomorphological inference

NASA Astrophysics Data System (ADS)

Cabral, Mariza Castanheira De Moura Da Costa

In the fifty-two years since Robert Horton's 1945 pioneering quantitative description of channel network planform (or plan view morphology), no conclusive findings have been presented that permit inference of geomorphological processes from any measures of network planform. All measures of network planform studied exhibit limited geographic variability across different environments. Horton (1945), Langbein et al. (1947), Schumm (1956), Hack (1957), Melton (1958), and Gray (1961) established various "laws" of network planform, that is, statistical relationships between different variables which have limited variability. A wide variety of models which have been proposed to simulate the growth of channel networks in time over a landsurface are generally also in agreement with the above planform laws. An explanation is proposed for the generality of the channel network planform laws. Channel networks must be space filling, that is, they must extend over the landscape to drain every hillslope, leaving no large undrained areas, and with no crossing of channels, often achieving a roughly uniform drainage density in a given environment. It is shown that the space-filling constraint can reduce the sensitivity of planform variables to different network growth models, and it is proposed that this constraint may determine the planform laws. The "Q model" of network growth of Van Pelt and Verwer (1985) is used to generate samples of networks. Sensitivity to the model parameter Q is markedly reduced when the networks generated are required to be space filling. For a wide variety of Q values, the space-filling networks are in approximate agreement with the various channel network planform laws. Additional constraints, including of energy efficiency, were not studied but may further reduce the variability of planform laws. Inference of model parameter Q from network topology is successful only in networks not subject to spatial constraints. In space-filling networks, for a wide range of Q values, the maximal-likelihood Q parameter value is generally in the vicinity of 1/2, which yields topological randomness. It is proposed that space filling originates the appearance of randomness in channel network topology, and may cause difficulties to geomorphological inference from network planform.

Dense Bicoid hubs accentuate binding along the morphogen gradient

PubMed Central

Mir, Mustafa; Reimer, Armando; Haines, Jenna E.; Li, Xiao-Yong; Stadler, Michael; Garcia, Hernan

2017-01-01

Morphogen gradients direct the spatial patterning of developing embryos; however, the mechanisms by which these gradients are interpreted remain elusive. Here we used lattice light-sheet microscopy to perform in vivo single-molecule imaging in early Drosophila melanogaster embryos of the transcription factor Bicoid that forms a gradient and initiates patterning along the anteroposterior axis. In contrast to canonical models, we observed that Bicoid binds to DNA with a rapid off rate throughout the embryo such that its average occupancy at target loci is on-rate-dependent. We further observed Bicoid forming transient “hubs” of locally high density that facilitate binding as factor levels drop, including in the posterior, where we observed Bicoid binding despite vanishingly low protein levels. We propose that localized modulation of transcription factor on rates via clustering provides a general mechanism to facilitate binding to low-affinity targets and that this may be a prevalent feature of other developmental transcription factors. PMID:28982761

Attentive Tracking Disrupts Feature Binding in Visual Working Memory

PubMed Central

Fougnie, Daryl; Marois, René

2009-01-01

One of the most influential theories in visual cognition proposes that attention is necessary to bind different visual features into coherent object percepts (Treisman & Gelade, 1980). While considerable evidence supports a role for attention in perceptual feature binding, whether attention plays a similar function in visual working memory (VWM) remains controversial. To test the attentional requirements of VWM feature binding, here we gave participants an attention-demanding multiple object tracking task during the retention interval of a VWM task. Results show that the tracking task disrupted memory for color-shape conjunctions above and beyond any impairment to working memory for object features, and that this impairment was larger when the VWM stimuli were presented at different spatial locations. These results demonstrate that the role of visuospatial attention in feature binding is not unique to perception, but extends to the working memory of these perceptual representations as well. PMID:19609460

Clues for discovering a new biological function of Vitreoscilla hemoglobin in organisms: potential sulfide receptor and storage.

PubMed

Wang, Dandan; Liu, Li; Wang, Hui; Xu, Haoran; Chen, Lei; Ma, Li; Li, Zhengqiang

2016-04-01

The interaction between H2 S and Vitreoscilla hemoglobin (VHb) has been studied by UV-Vis and Resonance Raman spectroscopes to confirm the binding between the ligand and the protein. Kinetic constants, kon = 1.2 × 10(5) m(-1) ·s(-1) and koff = 2.5 × 10(-4) ·s(-1) , have been determined and compared with those for mammalian hemoglobins. Density Functional Theory study supports the binding of H2 S by modeling the configurations of HOMO dispersions. We hypothesized that VHb is involved in H2 S reception and storage. Different from Lucina pectinata HbI, a typical H2 S-binding hemoglobin, VHb, exhibits unusual properties on H2 S reactivity such as steric constraints playing an important role in modulating H2 S entry. A distinct mechanism of VHb interaction with H2 S is supported by studies of variant forms of VHb. © 2016 Federation of European Biochemical Societies.

Rolled-up Functionalized Nanomembranes as Three-Dimensional Cavities for Single Cell Studies

PubMed Central

2014-01-01

We use micropatterning and strain engineering to encapsulate single living mammalian cells into transparent tubular architectures consisting of three-dimensional (3D) rolled-up nanomembranes. By using optical microscopy, we demonstrate that these structures are suitable for the scrutiny of cellular dynamics within confined 3D-microenvironments. We show that spatial confinement of mitotic mammalian cells inside tubular architectures can perturb metaphase plate formation, delay mitotic progression, and cause chromosomal instability in both a transformed and nontransformed human cell line. These findings could provide important clues into how spatial constraints dictate cellular behavior and function. PMID:24598026

The Geographic Concentration of Enterprise in Developing Countries

PubMed Central

Felkner, John S.; Townsend, Robert M.

2011-01-01

A nation’s economic geography can have an enormous impact on its development. In Thailand, we show that a high concentration of enterprise in an area predicts high subsequent growth in and around that area. We also find spatially contiguous convergence of enterprise with stagnant areas left behind. Exogenous physiographic conditions are correlated with enterprise location and growth. We fit a structural, micro-founded model of occupation transitions with fine-tuned geographic capabilities to village data and replicate these salient facts. Key elements of the model include costs, credit constraints on occupation choice, and spatially varying expansion of financial service providers. PMID:22844158

Laser system using regenerative amplifier

DOEpatents

Emmett, J.L.

1980-03-04

High energy laser system is disclosed using a regenerative amplifier, which relaxes all constraints on laser components other than the intrinsic damage level of matter, so as to enable use of available laser system components. This can be accomplished by use of segmented components, spatial filters, at least one amplifier using solid state or gaseous media, and separated reflector members providing a long round trip time through the regenerative cavity, thereby allowing slower switching and adequate time to clear the spatial filters, etc. The laser system simplifies component requirements and reduces component cost while providing high energy output. 10 figs.

Multilayer perceptron with local constraint as an emerging method in spatial data analysis

NASA Astrophysics Data System (ADS)

de Bollivier, M.; Dubois, G.; Maignan, M.; Kanevsky, M.

1997-02-01

The use of Geographic Information Systems has revolutionalized the handling and the visualization of geo-referenced data and has underlined the critic role of spatial analysis. The usual tools for such a purpose are geostatistics which are widely used in Earth science. Geostatistics are based upon several hypothesis which are not always verified in practice. On the other hand, Artificial Neural Network (ANN) a priori can be used without special assumptions and are known to be flexible. This paper proposes to discuss the application of ANN in the case of the interpolation of a geo-referenced variable.

Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions

PubMed Central

Wang, Chao; Wei, Zhiyi

2017-01-01

Ankyrins together with their spectrin partners are the master organizers of micron-scale membrane domains in diverse tissues. The 24 ankyrin (ANK) repeats of ankyrins bind to numerous membrane proteins, linking them to spectrin-based cytoskeletons at specific membrane microdomains. The accessibility of the target binding groove of ANK repeats must be regulated to achieve spatially defined functions of ankyrins/target complexes in different tissues, though little is known in this regard. Here we systemically investigated the autoinhibition mechanism of ankyrin-B/G by combined biochemical, biophysical and structural biology approaches. We discovered that the entire ANK repeats are inhibited by combinatorial and quasi-independent bindings of multiple disordered segments located in the ankyrin-B/G linkers and tails, suggesting a mechanistic basis for differential regulations of membrane target bindings by ankyrins. In addition to elucidating the autoinhibition mechanisms of ankyrins, our study may also shed light on regulations on target bindings by other long repeat-containing proteins. PMID:28841137

Isometric deformations of unstretchable material surfaces, a spatial variational treatment

NASA Astrophysics Data System (ADS)

Chen, Yi-Chao; Fosdick, Roger; Fried, Eliot

2018-07-01

The stored energy of an unstretchable material surface is assumed to depend only upon the curvature tensor. By control of its edge(s), the surface is deformed isometrically from its planar undistorted reference configuration into an equilibrium shape. That shape is to be determined from a suitably constrained variational problem as a state of relative minimal potential energy. We pose the variational problem as one of relative minimum potential energy in a spatial form, wherein the deformation of a flat, undistorted region D in E2 to its distorted form S in E3 is assumed specified. We then apply the principle that the first variation of the potential energy, expressed as a functional over S ∪ ∂S , must vanish for all admissible variations that correspond to isometric deformations from the distorted configuration S and that also contain the essence of flatness that characterizes the reference configuration D , but is not covered by the single statement that the variation of S correspond to an isometric deformation. We emphasize the commonly overlooked condition that the spatial expression of the variational problem requires an additional variational constraint of zero Gaussian curvature to ensure that variations from S that are isometric deformations also contain the notion of flatness. In this context, it is particularly revealing to observe that the two constraints produce distinct, but essential and complementary, conditions on the first variation of S. The resulting first variation integral condition, together with the constraints, may be applied, for example, to the case of a flat, undistorted, rectangular strip D that is deformed isometrically into a closed ring S by connecting its short edges and specifying that its long edges are free of loading and, therefore, subject to zero traction and couple traction. The elementary example of a closed ring without twist as a state of relative minimum potential energy is discussed in detail, and the bending of the strip by opposing specific bending moments on its short edges is treated as a particular case. Finally, the constrained variational problem, with the introduction of appropriate constraint reactions as Lagrangian multipliers to account for the requirements that the deformation from D to S is isometric and that D is flat, is formulated in the spatial form, and the associated Euler-Lagrange equations are derived. We then solve the Euler-Lagrange equations for two representative problems in which a planar undistorted rectangular material strip is isometrically deformed by applied edge tractions and couple tractions (i.e., specific edge moments) into (i) a bent and twisted circular cylindrical helical state, and (ii) a state conformal with the surface of a right circular conical form.

Spatial Decomposition of Translational Water–Water Correlation Entropy in Binding Pockets

PubMed Central

2015-01-01

A number of computational tools available today compute the thermodynamic properties of water at surfaces and in binding pockets by using inhomogeneous solvation theory (IST) to analyze explicit-solvent simulations. Such methods enable qualitative spatial mappings of both energy and entropy around a solute of interest and can also be applied quantitatively. However, the entropy estimates of existing methods have, to date, been almost entirely limited to the first-order terms in the IST’s entropy expansion. These first-order terms account for localization and orientation of water molecules in the field of the solute but not for the modification of water–water correlations by the solute. Here, we present an extension of the Grid Inhomogeneous Solvation Theory (GIST) approach which accounts for water–water translational correlations. The method involves rewriting the two-point density of water in terms of a conditional density and utilizes the efficient nearest-neighbor entropy estimation approach. Spatial maps of this second order term, for water in and around the synthetic host cucurbit[7]uril and in the binding pocket of the enzyme Factor Xa, reveal mainly negative contributions, indicating solute-induced water–water correlations relative to bulk water; particularly strong signals are obtained for sites at the entrances of cavities or pockets. This second-order term thus enters with the same, negative, sign as the first order translational and orientational terms. Numerical and convergence properties of the methodology are examined. PMID:26636620

Entropy of space-time outcome in a movement speed-accuracy task.

PubMed

Hsieh, Tsung-Yu; Pacheco, Matheus Maia; Newell, Karl M

2015-12-01

The experiment reported was set-up to investigate the space-time entropy of movement outcome as a function of a range of spatial (10, 20 and 30 cm) and temporal (250-2500 ms) criteria in a discrete aiming task. The variability and information entropy of the movement spatial and temporal errors considered separately increased and decreased on the respective dimension as a function of an increment of movement velocity. However, the joint space-time entropy was lowest when the relative contribution of spatial and temporal task criteria was comparable (i.e., mid-range of space-time constraints), and it increased with a greater trade-off between spatial or temporal task demands, revealing a U-shaped function across space-time task criteria. The traditional speed-accuracy functions of spatial error and temporal error considered independently mapped to this joint space-time U-shaped entropy function. The trade-off in movement tasks with joint space-time criteria is between spatial error and timing error, rather than movement speed and accuracy. Copyright © 2015 Elsevier B.V. All rights reserved.

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

Leger, M.; Morvan, J.M.; Thibaut, M.

Restoration of a geologic structure at earlier times is a good means to criticize, and next to improve, its interpretation. Restoration softwares already exist in 2D, but a lot of work remains to be done in 3D. The authors focus on the interbedding slip phenomenon, with bed-length and volume conservation. They unfold a (geometrical) foliation by optimizing following least-squares criteria: horizontalness, bed-length and volume conservation, under equality constraints related to the position of the ``binding`` or ``pin-surface``

A Development Testbed for ALPS-Based Systems

DTIC Science & Technology

1988-10-01

alloted to tile application because of size or power constraints). Given an underlying support ALPS architecture such as the d-ALPS architecture, a...resource on which it is assigned at runtime. A second representation problem is that most graph analysis algorithms treat either graphs with weighted links...subtask) associated with it but is treated like other links. In d-ALPS, as a priority precedence link, it would cause the binding of a pro- cessor: as a

Spacetime emergence of the robertson-walker universe from a matrix model.

PubMed

Erdmenger, Johanna; Meyer, René; Park, Jeong-Hyuck

2007-06-29

Using a novel, string theory-inspired formalism based on a Hamiltonian constraint, we obtain a conformal mechanical system for the spatially flat four-dimensional Robertson-Walker Universe. Depending on parameter choices, this system describes either a relativistic particle in the Robertson-Walker background or metric fluctuations of the Robertson-Walker geometry. Moreover, we derive a tree-level M theory matrix model in this time-dependent background. Imposing the Hamiltonian constraint forces the spacetime geometry to be fuzzy near the big bang, while the classical Robertson-Walker geometry emerges as the Universe expands. From our approach, we also derive the temperature of the Universe interpolating between the radiation and matter dominated eras.

Intracultural diversity in a model of social dynamics

NASA Astrophysics Data System (ADS)

Parravano, A.; Rivera-Ramirez, H.; Cosenza, M. G.

2007-06-01

We study the consequences of introducing individual nonconformity in social interactions, based on Axelrod's model for the dissemination of culture. A constraint on the number of situations in which interaction may take place is introduced in order to lift the unavoidable homogeneity present in the final configurations arising in Axelrod's related models. The inclusion of this constraint leads to the occurrence of complex patterns of intracultural diversity whose statistical properties and spatial distribution are characterized by means of the concepts of cultural affinity and cultural cline. It is found that the relevant quantity that determines the properties of intracultural diversity is given by the fraction of cultural features that characterizes the cultural nonconformity of individuals.

On the Hamiltonian formalism of the tetrad-gravity with fermions

NASA Astrophysics Data System (ADS)

Lagraa, M. H.; Lagraa, M.

2018-06-01

We extend the analysis of the Hamiltonian formalism of the d-dimensional tetrad-connection gravity to the fermionic field by fixing the non-dynamic part of the spatial connection to zero (Lagraa et al. in Class Quantum Gravity 34:115010, 2017). Although the reduced phase space is equipped with complicated Dirac brackets, the first-class constraints which generate the diffeomorphisms and the Lorentz transformations satisfy a closed algebra with structural constants analogous to that of the pure gravity. We also show the existence of a canonical transformation leading to a new reduced phase space equipped with Dirac brackets having a canonical form leading to the same algebra of the first-class constraints.

Position specific variation in the rate of evolution in transcription factor binding sites

PubMed Central

Moses, Alan M; Chiang, Derek Y; Kellis, Manolis; Lander, Eric S; Eisen, Michael B

2003-01-01

Background The binding sites of sequence specific transcription factors are an important and relatively well-understood class of functional non-coding DNAs. Although a wide variety of experimental and computational methods have been developed to characterize transcription factor binding sites, they remain difficult to identify. Comparison of non-coding DNA from related species has shown considerable promise in identifying these functional non-coding sequences, even though relatively little is known about their evolution. Results Here we analyse the genome sequences of the budding yeasts Saccharomyces cerevisiae, S. bayanus, S. paradoxus and S. mikatae to study the evolution of transcription factor binding sites. As expected, we find that both experimentally characterized and computationally predicted binding sites evolve slower than surrounding sequence, consistent with the hypothesis that they are under purifying selection. We also observe position-specific variation in the rate of evolution within binding sites. We find that the position-specific rate of evolution is positively correlated with degeneracy among binding sites within S. cerevisiae. We test theoretical predictions for the rate of evolution at positions where the base frequencies deviate from background due to purifying selection and find reasonable agreement with the observed rates of evolution. Finally, we show how the evolutionary characteristics of real binding motifs can be used to distinguish them from artefacts of computational motif finding algorithms. Conclusion As has been observed for protein sequences, the rate of evolution in transcription factor binding sites varies with position, suggesting that some regions are under stronger functional constraint than others. This variation likely reflects the varying importance of different positions in the formation of the protein-DNA complex. The characterization of the pattern of evolution in known binding sites will likely contribute to the effective use of comparative sequence data in the identification of transcription factor binding sites and is an important step toward understanding the evolution of functional non-coding DNA. PMID:12946282

Crystal structure of coelenterazine-binding protein from Renilla muelleri at 1.7 A: why it is not a calcium-regulated photoprotein.

PubMed

Stepanyuk, Galina A; Liu, Zhi-Jie; Markova, Svetlana S; Frank, Ludmila A; Lee, John; Vysotski, Eugene S; Wang, Bi-Cheng

2008-04-01

Bioluminescence in the sea pansy Renilla involves two distinct proteins, a Ca2+-triggered coelenterazine-binding protein (CBP), and Renilla luciferase. CBP contains one tightly bound coelenterazine molecule, which becomes available for reaction with luciferase and O2 only subsequent to Ca2+ binding. CBP belongs to the EF-hand superfamily of Ca2+-binding proteins and contains three "EF-hand" Ca2+-binding sites. The overall spatial structure of recombinant selenomethionine-labeled CBP determined at 1.7 A, is found to approximate the protein scaffold characteristic of the class of Ca2+-regulated photoproteins. Photoproteins however, catalyze molecular oxygen addition to coelenterazine producing a 2-hydroperoxycoelenterazine intermediate, which is stabilized within the binding cavity in the absence of Ca2+. Addition of Ca2+ triggers the bioluminescence reaction. However in CBP this first step of oxygen addition is not allowed. The different amino acid environments and hydrogen bond interactions within the binding cavity, are proposed to account for the different properties of the two classes of proteins.

Probing mass-transport and binding inhomogeneity in macromolecular interactions by molecular interferometric imaging

NASA Astrophysics Data System (ADS)

Zhao, Ming; Wang, Xuefeng; Nolte, David

2009-02-01

In solid-support immunoassays, the transport of target analyte in sample solution to capture molecules on the sensor surface controls the detected binding signal. Depletion of the target analyte in the sample solution adjacent to the sensor surface leads to deviations from ideal association, and causes inhomogeneity of surface binding as analyte concentration varies spatially across the sensor surface. In the field of label-free optical biosensing, studies of mass-transport-limited reaction kinetics have focused on the average response on the sensor surface, but have not addressed binding inhomogeneities caused by mass-transport limitations. In this paper, we employ Molecular Interferometric Imaging (MI2) to study mass-transport-induced inhomogeneity of analyte binding within a single protein spot. Rabbit IgG binding to immobilized protein A/G was imaged at various concentrations and under different flow rates. In the mass-transport-limited regime, enhanced binding at the edges of the protein spots was caused by depletion of analyte towards the center of the protein spots. The magnitude of the inhomogeneous response was a function of analyte reaction rate and sample flow rate.

Variola Virus IL-18 Binding Protein Interacts with Three Human IL-18 Residues That Are Part of a Binding Site for Human IL-18 Receptor Alpha Subunit

PubMed Central

Meng, Xiangzhi; Leman, Michael; Xiang, Yan

2007-01-01

Interleukin-18 (IL-18) plays an important role in host defense against microbial pathogens. Many poxviruses encode homologous IL-18 binding proteins (IL-18BP) that neutralize IL-18 activity. Here, we examined whether IL-18BP neutralizes IL-18 activity by binding to the same region of IL-18 where IL-18 receptor (IL-18R) binds. We introduced alanine substitutions to known receptor binding sites of human IL18, and found that only the substitution of Leu5 reduced the binding affinity of IL-18 with IL-18BP of variola virus (varvIL-18BP) by more than 4-fold. The substitutions of Lys53 and Ser55, which were not previously known to be part of the receptor binding site but that are spatially adjacent to Leu5, reduced the binding affinity to varvIL-18BP by approximately 100- and 7-fold, respectively. These two substitutions also reduced the binding affinity with human IL-18R alpha subunit (hIL-18Rα) by 4- and 2-fold, respectively. Altogether, our data shows that varvIL-18BP prevents IL-18 from binding to IL-18R by interacting with three residues that are part of the binding site for hIL-18Rα. PMID:16979683

Molecular modeling of fibronectin adsorption on topographically nanostructured rutile (110) surfaces

NASA Astrophysics Data System (ADS)

Guo, Chuangqiang; Wu, Chunya; Chen, Mingjun; Zheng, Ting; Chen, Ni; Cummings, Peter T.

2016-10-01

To investigate the topographical dependency of protein adsorption, molecular dynamics simulations were employed to describe the adsorption behavior of the tenth type-III module of fibronectin (FN-III10) on nanostructured rutile (110) surfaces. The results indicated that the residence time of adsorbed FN-III10 largely relied on its binding mode (direct or indirect) with the substrate and the region for protein migration on the periphery (protrusion) or in the interior (cavity or groove) of nanostructures. In the direct binding mode, FN-III10 molecules were found to be 'trapped' at the anchoring sites of rutile surface, or even penetrate deep into the interior of nanostructures, regardless of the presented geometrical features. In the indirect binding mode, FN-III10 molecules were indirectly connected to the substrate via a hydrogen-bond network (linking FN-III10 and interfacial hydrations). The facets created by nanostructures, which exerted restraints on protein migration, were suggested to play an important role in the stability of indirect FN-III10-rutile binding. However, a doubly unfavorable situation - indirect FN-III10-rutile connections bridged by a handful of mediating waters and few constraints on movement of protein provided by nanostructures - would result in an early desorption of protein.

The two envelope membrane glycoproteins of Tomato spotted wilt virus show differences in lectin-binding properties and sensitivities to glycosidases.

PubMed

Naidu, Rayapati A; Ingle, Caroline J; Deom, Carl M; Sherwood, John L

2004-02-05

Tomato spotted wilt virus (TSWV, Genus: Tospovirus, Family: Bunyaviridae) is a major constraint to the production of several different crops of agronomic and horticultural importance worldwide. The amino acid sequence of the two envelope membrane glycoproteins, designated as G(N) (N-terminal) and G(C) (C-terminal), of TSWV contain several tripeptide sequences, Asn-Xaa-Ser/Thr, suggesting that the proteins are N-glycosylated. In this study, the lectin-binding properties of the viral glycoproteins and their sensitivities to glycosidases were examined to obtain information on the nature of potential oligosaccharide moieties present on G(N) and G(C). The viral proteins were separated by sodium dodecyl sulphate-polyacrylamide gel electrophoresis (SDS-PAGE) and probed by affinoblotting using a battery of biotinylated lectins with specificity to different oligosaccharide structures. G(C) showed strong binding with five mannose-binding lectins, four N-acetyllactosamine-binding lectins and one fucose-binding lectin. G(N) was resolved into two molecular masses and only the slow migrating form showed binding, albeit to a lesser extent than G(C), with three of the five mannose-binding lectins. The N-acetyllactosamine- and fucose-specific lectins did not bind to either molecular mass form of G(N). None of the galactose-, N-acetylgalactosamine-, or sialic acid-binding lectins tested showed binding specificity to G(C) or G(N). Treatment of the denatured virions with endoglycosidase H and peptide:N-glycosidase F (PNGase F) resulted in a significant decrease in the binding of G(C) to high mannose- and N-acetyllactosamine-specific lectins. However, no such differences in lectin binding were apparent with G(N). These results indicate the presence of N-linked oligosaccharides of high mannose- and complex-type on G(C) and possibly high mannose-type on G(N). Differences in the extent of binding of the two envelope glycoproteins to different lectins suggest that G(C) is likely to be more heavily N-glycosylated than G(N). No evidence was observed for the presence of O-linked oligosaccharides on G(N) or G(C).

A Multi-Scale Perspective of the Effects of Forest Fragmentation on Birds in Eastern Forests

Treesearch

Frank R. Thompson; Therese M. Donovan; Richard M. DeGraff; John Faaborg; Scott K. Robinson

2002-01-01

We propose a model that considers forest fragmentation within a spatial hierarchy that includes regional or biogeographic effects, landscape-level fragmentation effects, and local habitat effects. We hypothesize that effects operate "top down" in that larger scale effects provide constraints or context for smaller scale effects. Bird species' abundance...

Constraints on tree seedling establishment in montane grasslands of the Valles Caldera, New Mexico

Treesearch

Jonathan D. Coop; Thomas J. Givnish

2008-01-01

Montane and subalpine grasslands are prominent, but poorly understood, features of the Rocky Mountains. These communities frequently occur below reversed tree lines on valley floors, where nightly cold air accumulation is spatially coupled with fine soil texture. We used field experiments to assess the roles of minimum temperature, soil texture, grass competition, and...

Multiple constraint analysis of regional land-surface carbon flux

Treesearch

D.P. Turner; M. Göckede; B.E. Law; W.D. Ritts; W.B. Cohen; Z. Yang; T. Hudiburg; R. Kennedy; M. Duane

2011-01-01

We applied and compared bottom-up (process model-based) and top-down (atmospheric inversion-based) scaling approaches to evaluate the spatial and temporal patterns of net ecosystem production (NEP) over a 2.5 × 105 km2 area (the state of Oregon) in the western United States. Both approaches indicated a carbon sink over this...

A multiscale approach to simulating the conformational properties of unbound multi-C₂H₂ zinc finger proteins.

PubMed

Liu, Lei; Wade, Rebecca C; Heermann, Dieter W

2015-09-01

The conformational properties of unbound multi-Cys2 His2 (mC2H2) zinc finger proteins, in which zinc finger domains are connected by flexible linkers, are studied by a multiscale approach. Three methods on different length scales are utilized. First, atomic detail molecular dynamics simulations of one zinc finger and its adjacent flexible linker confirmed that the zinc finger is more rigid than the flexible linker. Second, the end-to-end distance distributions of mC2H2 zinc finger proteins are computed using an efficient atomistic pivoting algorithm, which only takes excluded volume interactions into consideration. The end-to-end distance distribution gradually changes its profile, from left-tailed to right-tailed, as the number of zinc fingers increases. This is explained by using a worm-like chain model. For proteins of a few zinc fingers, an effective bending constraint favors an extended conformation. Only for proteins containing more than nine zinc fingers, is a somewhat compacted conformation preferred. Third, a mesoscale model is modified to study both the local and the global conformational properties of multi-C2H2 zinc finger proteins. Simulations of the CCCTC-binding factor (CTCF), an important mC2H2 zinc finger protein for genome spatial organization, are presented. © 2015 Wiley Periodicals, Inc.

Two nucleon systems at m π ~ 450 MeV from lattice QCD

DOE PAGES

Orginos, Kostas; Parreño, Assumpta; Savage, Martin J.; ...

2015-12-23

Nucleon-nucleon systems are studied with lattice quantum chromodynamics at a pion mass ofmore » $$m_\\pi\\sim 450~{\\rm MeV}$$ in three spatial volumes using $$n_f=2+1$$ flavors of light quarks. At the quark masses employed in this work, the deuteron binding energy is calculated to be $$B_d = 14.4^{+3.2}_{-2.6} ~{\\rm MeV}$$, while the dineutron is bound by $$B_{nn} = 12.5^{+3.0}_{-5.0}~{\\rm MeV}$$. Over the range of energies that are studied, the S-wave scattering phase shifts calculated in the 1S0 and 3S1-3D1 channels are found to be similar to those in nature, and indicate repulsive short-range components of the interactions, consistent with phenomenological nucleon-nucleon interactions. In both channels, the phase shifts are determined at three energies that lie within the radius of convergence of the effective range expansion, allowing for constraints to be placed on the inverse scattering lengths and effective ranges. Thus, the extracted phase shifts allow for matching to nuclear effective field theories, from which low energy counterterms are extracted and issues of convergence are investigated. As part of the analysis, a detailed investigation of the single hadron sector is performed, enabling a precise determination of the violation of the Gell-Mann–Okubo mass relation.« less

mTOR referees memory and disease through mRNA repression and competition.

PubMed

Raab-Graham, Kimberly F; Niere, Farr

2017-06-01

Mammalian target of rapamycin (mTOR) activity is required for memory and is dysregulated in disease. Activation of mTOR promotes protein synthesis; however, new studies are demonstrating that mTOR activity also represses the translation of mRNAs. Almost three decades ago, Kandel and colleagues hypothesised that memory was due to the induction of positive regulators and removal of negative constraints. Are these negative constraints repressed mRNAs that code for proteins that block memory formation? Herein, we will discuss the mRNAs coded by putative memory suppressors, how activation/inactivation of mTOR repress protein expression at the synapse, how mTOR activity regulates RNA binding proteins, mRNA stability, and translation, and what the possible implications of mRNA repression are to memory and neurodegenerative disorders. © 2017 Federation of European Biochemical Societies.

Spatial reasoning to determine stream network from LANDSAT imagery

NASA Technical Reports Server (NTRS)

Haralick, R. M.; Wang, S.; Elliott, D. B.

1983-01-01

In LANDSAT imagery, spectral and spatial information can be used to detect the drainage network as well as the relative elevation model in mountainous terrain. To do this, mixed information of material reflectance in the original LANDSAT imagery must be separated. From the material reflectance information, big visible rivers can be detected. From the topographic modulation information, ridges and valleys can be detected and assigned relative elevations. A complete elevation model can be generated by interpolating values for nonridge and non-valley pixels. The small streams not detectable from material reflectance information can be located in the valleys with flow direction known from the elevation model. Finally, the flow directions of big visible rivers can be inferred by solving a consistent labeling problem based on a set of spatial reasoning constraints.

Solving the Hamilton-Jacobi equation for general relativity

NASA Astrophysics Data System (ADS)

Parry, J.; Salopek, D. S.; Stewart, J. M.

1994-03-01

We demonstrate a systematic method for solving the Hamilton-Jacobi equation for general relativity with the inclusion of matter fields. The generating functional is expanded in a series of spatial gradients. Each term is manifestly invariant under reparametrizations of the spatial coordinates (``gauge invariant''). At each order we solve the Hamiltonian constraint using a conformal transformation of the three-metric as well as a line integral in superspace. This gives a recursion relation for the generating functional which then may be solved to arbitrary order simply by functionally differentiating previous orders. At fourth order in spatial gradients we demonstrate solutions for irrotational dust as well as for a scalar field. We explicitly evolve the three-metric to the same order. This method can be used to derive the Zel'dovich approximation for general relativity.

Correcting for the free energy costs of bond or angle constraints in molecular dynamics simulations

PubMed Central

König, Gerhard; Brooks, Bernard R.

2014-01-01

Background Free energy simulations are an important tool in the arsenal of computational biophysics, allowing the calculation of thermodynamic properties of binding or enzymatic reactions. This paper introduces methods to increase the accuracy and precision of free energy calculations by calculating the free energy costs of constraints during post-processing. The primary purpose of employing constraints for these free energy methods is to increase the phase space overlap between ensembles, which is required for accuracy and convergence. Methods The free energy costs of applying or removing constraints are calculated as additional explicit steps in the free energy cycle. The new techniques focus on hard degrees of freedom and use both gradients and Hessian estimation. Enthalpy, vibrational entropy, and Jacobian free energy terms are considered. Results We demonstrate the utility of this method with simple classical systems involving harmonic and anharmonic oscillators, four-atomic benchmark systems, an alchemical mutation of ethane to methanol, and free energy simulations between alanine and serine. The errors for the analytical test cases are all below 0.0007 kcal/mol, and the accuracy of the free energy results of ethane to methanol is improved from 0.15 to 0.04 kcal/mol. For the alanine to serine case, the phase space overlaps of the unconstrained simulations range between 0.15 and 0.9%. The introduction of constraints increases the overlap up to 2.05%. On average, the overlap increases by 94% relative to the unconstrained value and precision is doubled. Conclusions The approach reduces errors arising from constraints by about an order of magnitude. Free energy simulations benefit from the use of constraints through enhanced convergence and higher precision. General Significance The primary utility of this approach is to calculate free energies for systems with disparate energy surfaces and bonded terms, especially in multi-scale molecular mechanics/quantum mechanics simulations. PMID:25218695

Correcting for the free energy costs of bond or angle constraints in molecular dynamics simulations.

PubMed

König, Gerhard; Brooks, Bernard R

2015-05-01

Free energy simulations are an important tool in the arsenal of computational biophysics, allowing the calculation of thermodynamic properties of binding or enzymatic reactions. This paper introduces methods to increase the accuracy and precision of free energy calculations by calculating the free energy costs of constraints during post-processing. The primary purpose of employing constraints for these free energy methods is to increase the phase space overlap between ensembles, which is required for accuracy and convergence. The free energy costs of applying or removing constraints are calculated as additional explicit steps in the free energy cycle. The new techniques focus on hard degrees of freedom and use both gradients and Hessian estimation. Enthalpy, vibrational entropy, and Jacobian free energy terms are considered. We demonstrate the utility of this method with simple classical systems involving harmonic and anharmonic oscillators, four-atomic benchmark systems, an alchemical mutation of ethane to methanol, and free energy simulations between alanine and serine. The errors for the analytical test cases are all below 0.0007kcal/mol, and the accuracy of the free energy results of ethane to methanol is improved from 0.15 to 0.04kcal/mol. For the alanine to serine case, the phase space overlaps of the unconstrained simulations range between 0.15 and 0.9%. The introduction of constraints increases the overlap up to 2.05%. On average, the overlap increases by 94% relative to the unconstrained value and precision is doubled. The approach reduces errors arising from constraints by about an order of magnitude. Free energy simulations benefit from the use of constraints through enhanced convergence and higher precision. The primary utility of this approach is to calculate free energies for systems with disparate energy surfaces and bonded terms, especially in multi-scale molecular mechanics/quantum mechanics simulations. This article is part of a Special Issue entitled Recent developments of molecular dynamics. Published by Elsevier B.V.

Binding of Visual and Spatial Short-Term Memory in Williams Syndrome and Moderate Learning Disability

ERIC Educational Resources Information Center

Jarrold, Christopher; Phillips, Caroline; Baddeley, Alan D

2007-01-01

A main aim of this study was to test the claim that individuals with Williams syndrome have selectively impaired memory for spatial as opposed to visual information. The performance of 16 individuals with Williams syndrome (six males, 10 females; mean age 18y 7mo [SD 7y 6mo], range 9y 1mo-30y 7mo) on tests of short-term memory for item and…

Molecular bases of protective immune responses against botulinum neurotoxin A--how antitoxin antibodies block its action.

PubMed

Atassi, M Zouhair; Dolimbek, Behzod Z; Steward, Lance E; Aoki, K Roger

2007-01-01

In studies from this laboratory, we localized the regions on the H chain of botulinum neurotoxin A (BoNT/A) that are recognized by anti-BoNT/A antibodies (Abs) and block the activity of the toxin in vivo. These Abs were obtained from cervical dystonia patients who had been treated with BoNT/A and had become unresponsive to the treatment, as well as blocking Abs raised in mouse, horse, and chicken. We also localized the regions involved in BoNT/A binding to mouse brain synaptosomes (snp). Comparison of spatial proximities in the three-dimensional structure of the Ab-binding regions and the snp binding showed that except for one, the Ab-binding regions either coincide or overlap with the snp regions. It should be folly expected that protective Abs when bound to the toxin at sites that coincide or overlap with snp binding would prevent the toxin from binding to nerve synapse and therefore block toxin entry into the neuron. Thus, analysis of the locations of the Ab-binding and the snp-binding regions provides a molecular rationale for the ability of protecting Abs to block BoNT/A action in vivo.

Protein docking prediction using predicted protein-protein interface.

PubMed

Li, Bin; Kihara, Daisuke

2012-01-10

Many important cellular processes are carried out by protein complexes. To provide physical pictures of interacting proteins, many computational protein-protein prediction methods have been developed in the past. However, it is still difficult to identify the correct docking complex structure within top ranks among alternative conformations. We present a novel protein docking algorithm that utilizes imperfect protein-protein binding interface prediction for guiding protein docking. Since the accuracy of protein binding site prediction varies depending on cases, the challenge is to develop a method which does not deteriorate but improves docking results by using a binding site prediction which may not be 100% accurate. The algorithm, named PI-LZerD (using Predicted Interface with Local 3D Zernike descriptor-based Docking algorithm), is based on a pair wise protein docking prediction algorithm, LZerD, which we have developed earlier. PI-LZerD starts from performing docking prediction using the provided protein-protein binding interface prediction as constraints, which is followed by the second round of docking with updated docking interface information to further improve docking conformation. Benchmark results on bound and unbound cases show that PI-LZerD consistently improves the docking prediction accuracy as compared with docking without using binding site prediction or using the binding site prediction as post-filtering. We have developed PI-LZerD, a pairwise docking algorithm, which uses imperfect protein-protein binding interface prediction to improve docking accuracy. PI-LZerD consistently showed better prediction accuracy over alternative methods in the series of benchmark experiments including docking using actual docking interface site predictions as well as unbound docking cases.

Strong Enrichment of Aromatic Residues in Binding Sites from a Charge-neutralized Hyperthermostable Sso7d Scaffold Library*

PubMed Central

Kiefer, Jonathan D.; Srinivas, Raja R.; Lobner, Elisabeth; Tisdale, Alison W.; Mehta, Naveen K.; Yang, Nicole J.; Tidor, Bruce; Wittrup, K. Dane

2016-01-01

The Sso7d protein from the hyperthermophilic archaeon Sulfolobus solfataricus is an attractive binding scaffold because of its small size (7 kDa), high thermal stability (Tm of 98 °C), and absence of cysteines and glycosylation sites. However, as a DNA-binding protein, Sso7d is highly positively charged, introducing a strong specificity constraint for binding epitopes and leading to nonspecific interaction with mammalian cell membranes. In the present study, we report charge-neutralized variants of Sso7d that maintain high thermal stability. Yeast-displayed libraries that were based on this reduced charge Sso7d (rcSso7d) scaffold yielded binders with low nanomolar affinities against mouse serum albumin and several epitopes on human epidermal growth factor receptor. Importantly, starting from a charge-neutralized scaffold facilitated evolutionary adaptation of binders to differentially charged epitopes on mouse serum albumin and human epidermal growth factor receptor, respectively. Interestingly, the distribution of amino acids in the small and rigid binding surface of enriched rcSso7d-based binders is very different from that generally found in more flexible antibody complementarity-determining region loops but resembles the composition of antibody-binding energetic hot spots. Particularly striking was a strong enrichment of the aromatic residues Trp, Tyr, and Phe in rcSso7d-based binders. This suggests that the rigidity and small size of this scaffold determines the unusual amino acid composition of its binding sites, mimicking the energetic core of antibody paratopes. Despite the high frequency of aromatic residues, these rcSso7d-based binders are highly expressed, thermostable, and monomeric, suggesting that the hyperstability of the starting scaffold and the rigidness of the binding surface confer a high tolerance to mutation. PMID:27582495

Unifying model of carpal mechanics based on computationally derived isometric constraints and rules-based motion - the stable central column theory.

PubMed

Sandow, M J; Fisher, T J; Howard, C Q; Papas, S

2014-05-01

This study was part of a larger project to develop a (kinetic) theory of carpal motion based on computationally derived isometric constraints. Three-dimensional models were created from computed tomography scans of the wrists of ten normal subjects and carpal spatial relationships at physiological motion extremes were assessed. Specific points on the surface of the various carpal bones and the radius that remained isometric through range of movement were identified. Analysis of the isometric constraints and intercarpal motion suggests that the carpus functions as a stable central column (lunate-capitate-hamate-trapezoid-trapezium) with a supporting lateral column (scaphoid), which behaves as a 'two gear four bar linkage'. The triquetrum functions as an ulnar translation restraint, as well as controlling lunate flexion. The 'trapezoid'-shaped trapezoid places the trapezium anterior to the transverse plane of the radius and ulna, and thus rotates the principal axis of the central column to correspond to that used in the 'dart thrower's motion'. This study presents a forward kinematic analysis of the carpus that provides the basis for the development of a unifying kinetic theory of wrist motion based on isometric constraints and rules-based motion.

Interactive orbital proximity operations planning system

NASA Technical Reports Server (NTRS)

Grunwald, Arthur J.; Ellis, Stephen R.

1988-01-01

An interactive graphical proximity operations planning system was developed, which allows on-site design of efficient, complex, multiburn maneuvers in a dynamic multispacecraft environment. Maneuvering takes place in and out of the orbital plane. The difficulty in planning such missions results from the unusual and counterintuitive character of orbital dynamics and complex time-varying operational constraints. This difficulty is greatly overcome by visualizing the relative trajectories and the relevant constraints in an easily interpretable graphical format, which provides the operator with immediate feedback on design actions. The display shows a perspective bird's-eye view of a Space Station and co-orbiting spacecraft on the background of the Station's orbital plane. The operator has control over the two modes of operation: a viewing system mode, which enables the exporation of the spatial situation about the Space Station and thus the ability to choose and zoom in on areas of interest; and a trajectory design mode, which allows the interactive editing of a series of way points and maneuvering burns to obtain a trajectory that complies with all operational constraints. A first version of this display was completed. An experimental program is planned in which operators will carry out a series of design missions which vary in complexity and constraints.

Energetic and ecological constraints on population density of reef fishes.

PubMed

Barneche, D R; Kulbicki, M; Floeter, S R; Friedlander, A M; Allen, A P

2016-01-27

Population ecology has classically focused on pairwise species interactions, hindering the description of general patterns and processes of population abundance at large spatial scales. Here we use the metabolic theory of ecology as a framework to formulate and test a model that yields predictions linking population density to the physiological constraints of body size and temperature on individual metabolism, and the ecological constraints of trophic structure and species richness on energy partitioning among species. Our model was tested by applying Bayesian quantile regression to a comprehensive reef-fish community database, from which we extracted density data for 5609 populations spread across 49 sites around the world. Our results indicate that population density declines markedly with increases in community species richness and that, after accounting for richness, energetic constraints are manifested most strongly for the most abundant species, which generally are of small body size and occupy lower trophic groups. Overall, our findings suggest that, at the global scale, factors associated with community species richness are the major drivers of variation in population density. Given that populations of species-rich tropical systems exhibit markedly lower maximum densities, they may be particularly susceptible to stochastic extinction. © 2016 The Author(s).

Energetic and ecological constraints on population density of reef fishes

PubMed Central

Barneche, D. R.; Kulbicki, M.; Floeter, S. R.; Friedlander, A. M.; Allen, A. P.

2016-01-01

Population ecology has classically focused on pairwise species interactions, hindering the description of general patterns and processes of population abundance at large spatial scales. Here we use the metabolic theory of ecology as a framework to formulate and test a model that yields predictions linking population density to the physiological constraints of body size and temperature on individual metabolism, and the ecological constraints of trophic structure and species richness on energy partitioning among species. Our model was tested by applying Bayesian quantile regression to a comprehensive reef-fish community database, from which we extracted density data for 5609 populations spread across 49 sites around the world. Our results indicate that population density declines markedly with increases in community species richness and that, after accounting for richness, energetic constraints are manifested most strongly for the most abundant species, which generally are of small body size and occupy lower trophic groups. Overall, our findings suggest that, at the global scale, factors associated with community species richness are the major drivers of variation in population density. Given that populations of species-rich tropical systems exhibit markedly lower maximum densities, they may be particularly susceptible to stochastic extinction. PMID:26791611

Moho map of South America from receiver functions and surface waves

NASA Astrophysics Data System (ADS)

Lloyd, Simon; van der Lee, Suzan; FrançA, George Sand; AssumpçãO, Marcelo; Feng, Mei

2010-11-01

We estimate crustal structure and thickness of South America north of roughly 40°S. To this end, we analyzed receiver functions from 20 relatively new temporary broadband seismic stations deployed across eastern Brazil. In the analysis we include teleseismic and some regional events, particularly for stations that recorded few suitable earthquakes. We first estimate crustal thickness and average Poisson's ratio using two different stacking methods. We then combine the new crustal constraints with results from previous receiver function studies. To interpolate the crustal thickness between the station locations, we jointly invert these Moho point constraints, Rayleigh wave group velocities, and regional S and Rayleigh waveforms for a continuous map of Moho depth. The new tomographic Moho map suggests that Moho depth and Moho relief vary slightly with age within the Precambrian crust. Whether or not a positive correlation between crustal thickness and geologic age is derived from the pre-interpolation point constraints depends strongly on the selected subset of receiver functions. This implies that using only pre-interpolation point constraints (receiver functions) inadequately samples the spatial variation in geologic age. The new Moho map also reveals an anomalously deep Moho beneath the oldest core of the Amazonian Craton.

Improved FastICA algorithm in fMRI data analysis using the sparsity property of the sources.

PubMed

Ge, Ruiyang; Wang, Yubao; Zhang, Jipeng; Yao, Li; Zhang, Hang; Long, Zhiying

2016-04-01

As a blind source separation technique, independent component analysis (ICA) has many applications in functional magnetic resonance imaging (fMRI). Although either temporal or spatial prior information has been introduced into the constrained ICA and semi-blind ICA methods to improve the performance of ICA in fMRI data analysis, certain types of additional prior information, such as the sparsity, has seldom been added to the ICA algorithms as constraints. In this study, we proposed a SparseFastICA method by adding the source sparsity as a constraint to the FastICA algorithm to improve the performance of the widely used FastICA. The source sparsity is estimated through a smoothed ℓ0 norm method. We performed experimental tests on both simulated data and real fMRI data to investigate the feasibility and robustness of SparseFastICA and made a performance comparison between SparseFastICA, FastICA and Infomax ICA. Results of the simulated and real fMRI data demonstrated the feasibility and robustness of SparseFastICA for the source separation in fMRI data. Both the simulated and real fMRI experimental results showed that SparseFastICA has better robustness to noise and better spatial detection power than FastICA. Although the spatial detection power of SparseFastICA and Infomax did not show significant difference, SparseFastICA had faster computation speed than Infomax. SparseFastICA was comparable to the Infomax algorithm with a faster computation speed. More importantly, SparseFastICA outperformed FastICA in robustness and spatial detection power and can be used to identify more accurate brain networks than FastICA algorithm. Copyright © 2016 Elsevier B.V. All rights reserved.

Constraints on Non-flat Cosmologies with Massive Neutrinos after Planck 2015

NASA Astrophysics Data System (ADS)

Chen, Yun; Ratra, Bharat; Biesiada, Marek; Li, Song; Zhu, Zong-Hong

2016-10-01

We investigate two dark energy cosmological models (I.e., the ΛCDM and ϕCDM models) with massive neutrinos assuming two different neutrino mass hierarchies in both the spatially flat and non-flat scenarios, where in the ϕCDM model the scalar field possesses an inverse power-law potential, V(ϕ) ∝ ϕ -α (α > 0). Cosmic microwave background data from Planck 2015, baryon acoustic oscillation data from 6dFGS, SDSS-MGS, BOSS-LOWZ and BOSS CMASS-DR11, the joint light-curve analysis compilation of SNe Ia apparent magnitude observations, and the Hubble Space Telescope H 0 prior, are jointly employed to constrain the model parameters. We first determine constraints assuming three species of degenerate massive neutrinos. In the spatially flat (non-flat) ΛCDM model, the sum of neutrino masses is bounded as Σm ν < 0.165(0.299) eV at 95% confidence level (CL). Correspondingly, in the flat (non-flat) ϕCDM model, we find Σm ν < 0.164(0.301) eV at 95% CL. The inclusion of spatial curvature as a free parameter results in a significant broadening of confidence regions for Σm ν and other parameters. In the scenario where the total neutrino mass is dominated by the heaviest neutrino mass eigenstate, we obtain similar conclusions to those obtained in the degenerate neutrino mass scenario. In addition, the results show that the bounds on Σm ν based on two different neutrino mass hierarchies have insignificant differences in the spatially flat case for both the ΛCDM and ϕCDM models; however, the corresponding differences are larger in the non-flat case.

Shingle 2.0: generalising self-consistent and automated domain discretisation for multi-scale geophysical models

NASA Astrophysics Data System (ADS)

Candy, Adam S.; Pietrzak, Julie D.

2018-01-01

The approaches taken to describe and develop spatial discretisations of the domains required for geophysical simulation models are commonly ad hoc, model- or application-specific, and under-documented. This is particularly acute for simulation models that are flexible in their use of multi-scale, anisotropic, fully unstructured meshes where a relatively large number of heterogeneous parameters are required to constrain their full description. As a consequence, it can be difficult to reproduce simulations, to ensure a provenance in model data handling and initialisation, and a challenge to conduct model intercomparisons rigorously. This paper takes a novel approach to spatial discretisation, considering it much like a numerical simulation model problem of its own. It introduces a generalised, extensible, self-documenting approach to carefully describe, and necessarily fully, the constraints over the heterogeneous parameter space that determine how a domain is spatially discretised. This additionally provides a method to accurately record these constraints, using high-level natural language based abstractions that enable full accounts of provenance, sharing, and distribution. Together with this description, a generalised consistent approach to unstructured mesh generation for geophysical models is developed that is automated, robust and repeatable, quick-to-draft, rigorously verified, and consistent with the source data throughout. This interprets the description above to execute a self-consistent spatial discretisation process, which is automatically validated to expected discrete characteristics and metrics. Library code, verification tests, and examples available in the repository at https://github.com/shingleproject/Shingle. Further details of the project presented at http://shingleproject.org.

Seasonal Changes in Socio-Spatial Structure in a Group of Free-Living Spider Monkeys (Ateles geoffroyi)

PubMed Central

Ramos-Fernández, Gabriel; Getz, Wayne M.

2016-01-01

Ecological and social factors influence individual movement and group membership decisions, which ultimately determine how animal groups adjust their behavior in spatially and temporally heterogeneous environments. The mechanisms behind these behavioral adjustments can be better understood by studying the relationship between association and space use patterns of groups and how these change over time. We examined the socio-spatial patterns of adult individuals in a free-ranging group of spider monkeys (Ateles geoffroyi), a species with high fission-fusion dynamics. Data comprised 4916 subgroup scans collected during 325 days throughout a 20-month period and was used to evaluate changes from fruit-scarce to fruit-abundant periods in individual core-area size, subgroup size and two types of association measures: spatial (core-area overlap) and spatio-temporal (occurrence in the same subgroup) associations. We developed a 3-level analysis framework to distinguish passive associations, where individuals are mostly brought together by resources of common interest, from active association, where individuals actively seek or avoid certain others. Results indicated a more concentrated use of space, increased individual gregariousness and higher spatio-temporal association rates in the fruit-abundant seasons, as is compatible with an increase in passive associations. Nevertheless, results also suggested active associations in all the periods analyzed, although associations differed across seasons. In particular, females seem to actively avoid males, perhaps prompted by an increased probability of random encounters among individuals, resulting from the contraction of individual core areas. Our framework proved useful in investigating the interplay between ecological and social constraints and how these constraints can influence individual ranging and grouping decisions in spider monkeys, and possibly other species with high fission-fusion dynamics. PMID:27280800

Spatial Autocorrelation Can Generate Stronger Correlations between Range Size and Climatic Niches Than the Biological Signal - A Demonstration Using Bird and Mammal Range Maps.

PubMed

Boucher-Lalonde, Véronique; Currie, David J

2016-01-01

Species' geographic ranges could primarily be physiological tolerances drawn in space. Alternatively, geographic ranges could be only broadly constrained by physiological climatic tolerances: there could generally be much more proximate constraints on species' ranges (dispersal limitation, biotic interactions, etc.) such that species often occupy a small and unpredictable subset of tolerable climates. In the literature, species' climatic tolerances are typically estimated from the set of conditions observed within their geographic range. Using this method, studies have concluded that broader climatic niches permit larger ranges. Similarly, other studies have investigated the biological causes of incomplete range filling. But, when climatic constraints are measured directly from species' ranges, are correlations between species' range size and climate necessarily consistent with a causal link? We evaluated the extent to which variation in range size among 3277 bird and 1659 mammal species occurring in the Americas is statistically related to characteristics of species' realized climatic niches. We then compared how these relationships differed from the ones expected in the absence of a causal link. We used a null model that randomizes the predictor variables (climate), while retaining their broad spatial autocorrelation structure, thereby removing any causal relationship between range size and climate. We found that, although range size is strongly positively related to climatic niche breadth, range filling and, to a lesser extent, niche position in nature, the observed relationships are not always stronger than expected from spatial autocorrelation alone. Thus, we conclude that equally strong relationships between range size and climate would result from any processes causing ranges to be highly spatially autocorrelated.

Spatial Autocorrelation Can Generate Stronger Correlations between Range Size and Climatic Niches Than the Biological Signal — A Demonstration Using Bird and Mammal Range Maps

PubMed Central

Boucher-Lalonde, Véronique; Currie, David J.

2016-01-01

Species’ geographic ranges could primarily be physiological tolerances drawn in space. Alternatively, geographic ranges could be only broadly constrained by physiological climatic tolerances: there could generally be much more proximate constraints on species’ ranges (dispersal limitation, biotic interactions, etc.) such that species often occupy a small and unpredictable subset of tolerable climates. In the literature, species’ climatic tolerances are typically estimated from the set of conditions observed within their geographic range. Using this method, studies have concluded that broader climatic niches permit larger ranges. Similarly, other studies have investigated the biological causes of incomplete range filling. But, when climatic constraints are measured directly from species’ ranges, are correlations between species’ range size and climate necessarily consistent with a causal link? We evaluated the extent to which variation in range size among 3277 bird and 1659 mammal species occurring in the Americas is statistically related to characteristics of species’ realized climatic niches. We then compared how these relationships differed from the ones expected in the absence of a causal link. We used a null model that randomizes the predictor variables (climate), while retaining their broad spatial autocorrelation structure, thereby removing any causal relationship between range size and climate. We found that, although range size is strongly positively related to climatic niche breadth, range filling and, to a lesser extent, niche position in nature, the observed relationships are not always stronger than expected from spatial autocorrelation alone. Thus, we conclude that equally strong relationships between range size and climate would result from any processes causing ranges to be highly spatially autocorrelated. PMID:27855201

Linking vegetation structure, function and physiology through spectroscopic remote sensing

NASA Astrophysics Data System (ADS)

Serbin, S.; Singh, A.; Couture, J. J.; Shiklomanov, A. N.; Rogers, A.; Desai, A. R.; Kruger, E. L.; Townsend, P. A.

2015-12-01

Terrestrial ecosystem process models require detailed information on ecosystem states and canopy properties to properly simulate the fluxes of carbon (C), water and energy from the land to the atmosphere and assess the vulnerability of ecosystems to perturbations. Current models fail to adequately capture the magnitude, spatial variation, and seasonality of terrestrial C uptake and storage, leading to significant uncertainties in the size and fate of the terrestrial C sink. By and large, these parameter and process uncertainties arise from inadequate spatial and temporal representation of plant traits, vegetation structure, and functioning. With increases in computational power and changes to model architecture and approaches, it is now possible for models to leverage detailed, data rich and spatially explicit descriptions of ecosystems to inform parameter distributions and trait tradeoffs. In this regard, spectroscopy and imaging spectroscopy data have been shown to be invaluable observational datasets to capture broad-scale spatial and, eventually, temporal dynamics in important vegetation properties. We illustrate the linkage of plant traits and spectral observations to supply key data constraints for model parameterization. These constraints can come either in the form of the raw spectroscopic data (reflectance, absorbtance) or physiological traits derived from spectroscopy. In this presentation we highlight our ongoing work to build ecological scaling relationships between critical vegetation characteristics and optical properties across diverse and complex canopies, including temperate broadleaf and conifer forests, Mediterranean vegetation, Arctic systems, and agriculture. We focus on work at the leaf, stand, and landscape scales, illustrating the importance of capturing the underlying variability in a range of parameters (including vertical variation within canopies) to enable more efficient scaling of traits related to functional diversity of ecosystems.

Catchment scale water resource constraints on UK policies for low-carbon energy system transition

NASA Astrophysics Data System (ADS)

Konadu, D. D.; Fenner, R. A.

2017-12-01

Long-term low-carbon energy transition policy of the UK presents national scale propositions of different low-carbon energy system options that lead to meeting GHG emissions reduction target of 80% on 1990 levels by 2050. Whilst national-scale assessments suggests that water availability may not be a significant constrain on future thermal power generation systems in this pursuit, these analysis fail to capture the appropriate spatial scale where water resource decisions are made, i.e. at the catchment scale. Water is a local resource, which also has significant spatio-temporal regional and national variability, thus any policy-relevant water-energy nexus analysis must be reflective of these characteristics. This presents a critical challenge for policy relevant water-energy nexus analysis. This study seeks to overcome the above challenge by using a linear spatial-downscaling model to allocate nationally projected water-intensive energy system infrastructure/technologies to the catchment level, and estimating the water requirements for the deployment of these technologies. The model is applied to the UK Committee on Climate Change Carbon Budgets to 2030 as a case study. The paper concludes that whilst national-scale analyses show minimal long-term water related impacts, catchment level appraisal of water resource requirements reveal significant constraints in some locations. The approach and results presented in this study thus, highlights the importance of bringing together scientific understanding, data and analysis tools to provide better insights for water-energy nexus decisions at the appropriate spatial scale. This is particularly important for water stressed regions where the water-energy nexus must be analysed at appropriate spatial resolution to capture the full water resource impact of national energy policy.

Using spatial principles to optimize distributed computing for enabling the physical science discoveries

PubMed Central

Yang, Chaowei; Wu, Huayi; Huang, Qunying; Li, Zhenlong; Li, Jing

2011-01-01

Contemporary physical science studies rely on the effective analyses of geographically dispersed spatial data and simulations of physical phenomena. Single computers and generic high-end computing are not sufficient to process the data for complex physical science analysis and simulations, which can be successfully supported only through distributed computing, best optimized through the application of spatial principles. Spatial computing, the computing aspect of a spatial cyberinfrastructure, refers to a computing paradigm that utilizes spatial principles to optimize distributed computers to catalyze advancements in the physical sciences. Spatial principles govern the interactions between scientific parameters across space and time by providing the spatial connections and constraints to drive the progression of the phenomena. Therefore, spatial computing studies could better position us to leverage spatial principles in simulating physical phenomena and, by extension, advance the physical sciences. Using geospatial science as an example, this paper illustrates through three research examples how spatial computing could (i) enable data intensive science with efficient data/services search, access, and utilization, (ii) facilitate physical science studies with enabling high-performance computing capabilities, and (iii) empower scientists with multidimensional visualization tools to understand observations and simulations. The research examples demonstrate that spatial computing is of critical importance to design computing methods to catalyze physical science studies with better data access, phenomena simulation, and analytical visualization. We envision that spatial computing will become a core technology that drives fundamental physical science advancements in the 21st century. PMID:21444779

Using spatial principles to optimize distributed computing for enabling the physical science discoveries.

PubMed

Yang, Chaowei; Wu, Huayi; Huang, Qunying; Li, Zhenlong; Li, Jing

2011-04-05

Contemporary physical science studies rely on the effective analyses of geographically dispersed spatial data and simulations of physical phenomena. Single computers and generic high-end computing are not sufficient to process the data for complex physical science analysis and simulations, which can be successfully supported only through distributed computing, best optimized through the application of spatial principles. Spatial computing, the computing aspect of a spatial cyberinfrastructure, refers to a computing paradigm that utilizes spatial principles to optimize distributed computers to catalyze advancements in the physical sciences. Spatial principles govern the interactions between scientific parameters across space and time by providing the spatial connections and constraints to drive the progression of the phenomena. Therefore, spatial computing studies could better position us to leverage spatial principles in simulating physical phenomena and, by extension, advance the physical sciences. Using geospatial science as an example, this paper illustrates through three research examples how spatial computing could (i) enable data intensive science with efficient data/services search, access, and utilization, (ii) facilitate physical science studies with enabling high-performance computing capabilities, and (iii) empower scientists with multidimensional visualization tools to understand observations and simulations. The research examples demonstrate that spatial computing is of critical importance to design computing methods to catalyze physical science studies with better data access, phenomena simulation, and analytical visualization. We envision that spatial computing will become a core technology that drives fundamental physical science advancements in the 21st century.

Topographical localization of the C-terminal region of the voltage-dependent sodium channel from Electrophorus electricus using antibodies raised against a synthetic peptide

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

Gordon, R.D.; Fieles, W.E.; Schotland, D.L.

1987-01-01

A peptide corresponding to amino acid residues 1783-1794 near the C terminus of the electric eel sodium channel primary sequence of the eel (Electrophorus electricus) sodium channel has been synthesized and used to raise an antiserum in rabbits. This antiserum specifically recognized the peptide in a solid-phase radioimmunoassay. Specificity of the antiserum for the native channel protein was shown by its specific binding to a 280-kDa protein in immunoblots of eel electroplax membrane proteins. The antiserum also specifically labeled the innervated membrane of the eel electroplax in immunofluorescent studies. The membrane topology of the peptide recognized by this antiserum wasmore » proved in binding studies using oriented electroplax membrane vesicles. These vesicles were 98% right-side-out as determined by (/sup 3/H)saxitoxin binding. Binding of the antipeptide antiserum to this fraction was measured before and after permeabilization with 0.01% saponin. Specific binding to intact vesicles was low, but this binding increased 10-fold after permeabilization, implying a cytoplasmic orientation for the peptide. Confirmation for this orientation was then sought by localizing the antibody bound to intact electroplax cells with immunogold electron microscopy. The data imply that the region of the sodium channel primary sequence near the C terminus that is recognized by the anitserum is localized on the cytoplasmic side of the membrane; this localization provides some further constraints on models of sodium channel tertiary structure.« less

Mutational Constraints on Local Unfolding Inhibit the Rheological Adaptation of von Willebrand Factor

DOE PAGES

Tischer, Alexander; Campbell, James C.; Machha, Venkata R.; ...

2015-12-16

Unusually large von Willebrand factor (VWF), the first responder to vascular injury in primary hemostasis, is designed to capture platelets under the high shear stress of rheological blood flow. In type 2M von Willebrand disease, two rare mutations (G1324A and G1324S) within the platelet GPIbα binding interface of the VWF A1 domain impair the hemostatic function of VWF. We investigate structural and conformational effects of these mutations on the A1 domain's efficacy to bind collagen and adhere platelets under shear flow. These mutations enhance the thermodynamic stability, reduce the rate of unfolding, and enhance the A1 domain's resistance to limitedmore » proteolysis. Collagen binding affinity is not significantly affected indicating that the primary stabilizing effect of these mutations is to diminish the platelet binding efficiency under shear flow. The better stability stems from the steric consequences of adding a side chain (G1324A) and additionally a hydrogen bond (G1324S) to His 1322 across the β2-β3 hairpin in the GPIbα binding interface, which restrains the conformational degrees of freedom and the overall flexibility of the native state. These studies reveal a novel rheological strategy in which the incorporation of a single glycine within the GPIbα binding interface of normal VWF enhances the probability of local unfolding that enables the A1 domain to conformationally adapt to shear flow while maintaining its overall native structure.« less

Rational design and validation of a vanilloid-sensitive TRPV2 ion channel

PubMed Central

Yang, Fan; Vu, Simon; Yarov-Yarovoy, Vladimir; Zheng, Jie

2016-01-01

Vanilloids activation of TRPV1 represents an excellent model system of ligand-gated ion channels. Recent studies using cryo-electron microcopy (cryo-EM), computational analysis, and functional quantification revealed the location of capsaicin-binding site and critical residues mediating ligand-binding and channel activation. Based on these new findings, here we have successfully introduced high-affinity binding of capsaicin and resiniferatoxin to the vanilloid-insensitive TRPV2 channel, using a rationally designed minimal set of four point mutations (F467S–S498F–L505T–Q525E, termed TRPV2_Quad). We found that binding of resiniferatoxin activates TRPV2_Quad but the ligand-induced open state is relatively unstable, whereas binding of capsaicin to TRPV2_Quad antagonizes resiniferatoxin-induced activation likely through competition for the same binding sites. Using Rosetta-based molecular docking, we observed a common structural mechanism underlying vanilloids activation of TRPV1 and TRPV2_Quad, where the ligand serves as molecular “glue” that bridges the S4–S5 linker to the S1–S4 domain to open these channels. Our analysis revealed that capsaicin failed to activate TRPV2_Quad likely due to structural constraints preventing such bridge formation. These results not only validate our current working model for capsaicin activation of TRPV1 but also should help guide the design of drug candidate compounds for this important pain sensor. PMID:27298359

Exciton binding energy in a pyramidal quantum dot

NASA Astrophysics Data System (ADS)

Anitha, A.; Arulmozhi, M.

2018-05-01

The effects of spatially dependent effective mass, non-parabolicity of the conduction band and dielectric screening function on exciton binding energy in a pyramid-shaped quantum dot of GaAs have been investigated by variational method as a function of base width of the pyramid. We have assumed that the pyramid has a square base with area a× a and height of the pyramid H=a/2. The trial wave function of the exciton has been chosen according to the even mirror boundary condition, i.e. the wave function of the exciton at the boundary could be non-zero. The results show that (i) the non-parabolicity of the conduction band affects the light hole (lh) and heavy hole (hh) excitons to be more bound than that with parabolicity of the conduction band, (ii) the dielectric screening function (DSF) affects the lh and hh excitons to be more bound than that without the DSF and (iii) the spatially dependent effective mass (SDEM) affects the lh and hh excitons to be less bound than that without the SDEM. The combined effects of DSF and SDEM on exciton binding energy have also been calculated. The results are compared with those available in the literature.

Fluorescent ATP analog mant-ATP reports dynein activity in the isolated Chlamydomonas axoneme

NASA Astrophysics Data System (ADS)

Feofilova, Maria; Howard, Jonathon

Eukaryotic flagella are long rod-like extensions of cells, which play a fundamental role in single cell movement, as well as in fluid transport. Flagella contain a highly evolutionary conserved mechanical structure called the axoneme. The motion of the flagellum is generated by dynein motor proteins located all along the length of the axoneme. How the force production of motors is controlled spatially and temporally is still an open question. Therefore, monitoring dynein activity in the axonemal structure is expected to provide novel insights in regulation of the beat. We use high sensitivity fluorescence microscopy to monitor the binding and hydrolysis kinetics of the fluorescently labeled ATP analogue mant-ATP (2'(3')-O-(N-methylanthraniloyl) adenosine 5'-triphosphate), which is known to support dynein activity. By studying the kinetics of mant-ATP fluorescence, we identified distinct mant-ATP binding sites in the axoneme. The application of this method to axonemes with reduced amounts of dynein, showed evidence that one of the sites is associated with binding to dynein. In the future, we would like to use this method to find the spatial distribution of dynein activity in the axoneme.

Constraints on food chain length arising from regional metacommunity dynamics

PubMed Central

Calcagno, Vincent; Massol, François; Mouquet, Nicolas; Jarne, Philippe; David, Patrice

2011-01-01

Classical ecological theory has proposed several determinants of food chain length, but the role of metacommunity dynamics has not yet been fully considered. By modelling patchy predator–prey metacommunities with extinction–colonization dynamics, we identify two distinct constraints on food chain length. First, finite colonization rates limit predator occupancy to a subset of prey-occupied sites. Second, intrinsic extinction rates accumulate along trophic chains. We show how both processes concur to decrease maximal and average food chain length in metacommunities. This decrease is mitigated if predators track their prey during colonization (habitat selection) and can be reinforced by top-down control of prey vital rates (especially extinction). Moreover, top-down control of colonization and habitat selection can interact to produce a counterintuitive positive relationship between perturbation rate and food chain length. Our results show how novel limits to food chain length emerge in spatially structured communities. We discuss the connections between these constraints and the ones commonly discussed, and suggest ways to test for metacommunity effects in food webs. PMID:21367786

Determination of structure of the MinD-ATP complex reveals the orientation of MinD on the membrane and the relative location of the binding sites for MinE and MinC

PubMed Central

Wu, Wei; Park, Kyung-Tae; Holyoak, Todd; Lutkenhaus, Joe

2011-01-01

Summary The three Min proteins spatially regulate Z ring positioning in E. coli and are dynamically associated with the membrane. MinD binds to vesicles in the presence of ATP and can recruit MinC or MinE. Biochemical and genetic evidence indicate the binding sites for these two proteins on MinD overlap. Here we solved the structure of a hydrolytic-deficient mutant of MinD truncated for the C-terminal amphipathic helix involved in binding to the membrane. The structure solved in the presence of ATP is a dimer and reveals the face of MinD abutting the membrane. Using a combination of random and extensive site-directed mutagenesis additional residues important for MinE and MinC binding were identified. The location of these residues on the MinD structure confirms that the binding sites overlap and reveals that the binding sites are at the dimer interface and exposed to the cytosol. The location of the binding sites at the dimer interface offers a simple explanation for the ATP-dependency of MinC and MinE binding to MinD. PMID:21231967

Bindings in working memory: The role of object-based attention.

PubMed

Gao, Zaifeng; Wu, Fan; Qiu, Fangfang; He, Kaifeng; Yang, Yue; Shen, Mowei

2017-02-01

Over the past decade, it has been debated whether retaining bindings in working memory (WM) requires more attention than retaining constituent features, focusing on domain-general attention and space-based attention. Recently, we proposed that retaining bindings in WM needs more object-based attention than retaining constituent features (Shen, Huang, & Gao, 2015, Journal of Experimental Psychology: Human Perception and Performance, doi: 10.1037/xhp0000018 ). However, only unitized visual bindings were examined; to establish the role of object-based attention in retaining bindings in WM, more emperical evidence is required. We tested 4 new bindings that had been suggested requiring no more attention than the constituent features in the WM maintenance phase: The two constituent features of binding were stored in different WM modules (cross-module binding, Experiment 1), from auditory and visual modalities (cross-modal binding, Experiment 2), or temporally (cross-time binding, Experiments 3) or spatially (cross-space binding, Experiments 4-6) separated. In the critical condition, we added a secondary object feature-report task during the delay interval of the change-detection task, such that the secondary task competed for object-based attention with the to-be-memorized stimuli. If more object-based attention is required for retaining bindings than for retaining constituent features, the secondary task should impair the binding performance to a larger degree relative to the performance of constituent features. Indeed, Experiments 1-6 consistently revealed a significantly larger impairment for bindings than for the constituent features, suggesting that object-based attention plays a pivotal role in retaining bindings in WM.

Tight-Binding Approach to Computational Materials Science, Symposium Held December 1-3, 1997, Boston, Massachusetts, USA. Volume 491

DTIC Science & Technology

1998-01-01

to their large unit size and to experimental difficulties in determining geometries of carbon-based complex materials because of the weak X - ray ...qualitative relationship between the calculated local density of states and the experimental X - ray pho- toelectron spectra (XPS) and the Bremsstrahlung...from interaction schemes and allows complete data sets from different sources (neutron or X - ray diffraction, chemical constraints) to be fitted. In

Looking forwards and backwards: The real-time processing of Strong and Weak Crossover

PubMed Central

Lidz, Jeffrey; Phillips, Colin

2017-01-01

We investigated the processing of pronouns in Strong and Weak Crossover constructions as a means of probing the extent to which the incremental parser can use syntactic information to guide antecedent retrieval. In Experiment 1 we show that the parser accesses a displaced wh-phrase as an antecedent for a pronoun when no grammatical constraints prohibit binding, but the parser ignores the same wh-phrase when it stands in a Strong Crossover relation to the pronoun. These results are consistent with two possibilities. First, the parser could apply Principle C at antecedent retrieval to exclude the wh-phrase on the basis of the c-command relation between its gap and the pronoun. Alternatively, retrieval might ignore any phrases that do not occupy an Argument position. Experiment 2 distinguished between these two possibilities by testing antecedent retrieval under Weak Crossover. In Weak Crossover binding of the pronoun is ruled out by the argument condition, but not Principle C. The results of Experiment 2 indicate that antecedent retrieval accesses matching wh-phrases in Weak Crossover configurations. On the basis of these findings we conclude that the parser can make rapid use of Principle C and c-command information to constrain retrieval. We discuss how our results support a view of antecedent retrieval that integrates inferences made over unseen syntactic structure into constraints on backward-looking processes like memory retrieval. PMID:28936483

Spatial Localization and Binding of the Probiotic Lactobacillus farciminis to the Rat Intestinal Mucosa: Influence of Chronic Stress

PubMed Central

Raymond, Arthur; Mercade-Loubière, Myriam; Salvador-Cartier, Christel; Ringot, Bélinda; Léonard, Renaud; Fourquaux, Isabelle; Ait-Belgnaoui, Afifa; Loubière, Pascal; Théodorou, Vassilia; Mercier-Bonin, Muriel

2015-01-01

The present study aimed at detecting the exogenously applied probiotic Lactobacillus farciminis in rats, after exposure to IBS-like chronic stress, based on 4-day Water Avoidance Stress (WAS). The presence of L. farciminis in both ileal and colonic mucosal tissues was demonstrated by FISH and qPCR, with ileum as the preferential niche, as for the SFB population. A different spatial distribution of the probiotic was observed: in the ileum, bacteria were organized in micro-colonies more or less close to the epithelium whereas, in the colon, they were mainly visualized far away from the epithelium. When rats were submitted to WAS, the L. farciminis population substantially decreased in both intestinal regions, due to a stress-induced increase in colonic motility and defecation, rather than a modification of bacterial binding to the intestinal mucin Muc2. PMID:26367538

Spatial Localization and Binding of the Probiotic Lactobacillus farciminis to the Rat Intestinal Mucosa: Influence of Chronic Stress.

PubMed

Da Silva, Stéphanie; Robbe-Masselot, Catherine; Raymond, Arthur; Mercade-Loubière, Myriam; Salvador-Cartier, Christel; Ringot, Bélinda; Léonard, Renaud; Fourquaux, Isabelle; Ait-Belgnaoui, Afifa; Loubière, Pascal; Théodorou, Vassilia; Mercier-Bonin, Muriel

2015-01-01

The present study aimed at detecting the exogenously applied probiotic Lactobacillus farciminis in rats, after exposure to IBS-like chronic stress, based on 4-day Water Avoidance Stress (WAS). The presence of L. farciminis in both ileal and colonic mucosal tissues was demonstrated by FISH and qPCR, with ileum as the preferential niche, as for the SFB population. A different spatial distribution of the probiotic was observed: in the ileum, bacteria were organized in micro-colonies more or less close to the epithelium whereas, in the colon, they were mainly visualized far away from the epithelium. When rats were submitted to WAS, the L. farciminis population substantially decreased in both intestinal regions, due to a stress-induced increase in colonic motility and defecation, rather than a modification of bacterial binding to the intestinal mucin Muc2.

Metal stabilization of collagen and de novo designed mimetic peptides

PubMed Central

Parmar, Avanish S.; Xu, Fei; Pike, Douglas H.; Belure, Sandeep V.; Hasan, Nida F.; Drzewiecki, Kathryn E.; Shreiber, David I.; Nanda, Vikas

2017-01-01

We explore the design of metal binding sites to modulate triple-helix stability of collagen and collagen-mimetic peptides. Globular proteins commonly utilize metals to connect tertiary structural elements that are well separated in sequence, constraining structure and enhancing stability. It is more challenging to engineer structural metals into fibrous protein scaffolds, which lack the extensive tertiary contacts seen in globular proteins. In the collagen triple helix, the structural adjacency of the carboxy-termini of the three chains makes this region an attractive target for introducing metal binding sites. We engineered His3 sites based on structural modeling constraints into a series of designed homotrimeric and heterotrimeric peptides, assessing the capacity of metal binding to improve stability and in the case of heterotrimers, affect specificity of assembly. Notable enhancements in stability for both homo and heteromeric systems were observed upon addition of zinc(II) and several other metal ions only when all three histidine ligands were present. Metal binding affinities were consistent with the expected Irving-Williams series for imidazole. Unlike other metals tested, copper(II) also bound to peptides lacking histidine ligands. Acetylation of the peptide N-termini prevented copper binding, indicating proline backbone amide metal-coordination at this site. Copper similarly stabilized animal extracted Type I collagen in a metal specific fashion, highlighting the potential importance of metal homeostasis within the extracellular matrix. PMID:26225466

Metal Stabilization of Collagen and de Novo Designed Mimetic Peptides.

PubMed

Parmar, Avanish S; Xu, Fei; Pike, Douglas H; Belure, Sandeep V; Hasan, Nida F; Drzewiecki, Kathryn E; Shreiber, David I; Nanda, Vikas

2015-08-18

We explore the design of metal binding sites to modulate triple-helix stability of collagen and collagen-mimetic peptides. Globular proteins commonly utilize metals to connect tertiary structural elements that are well separated in sequence, constraining structure and enhancing stability. It is more challenging to engineer structural metals into fibrous protein scaffolds, which lack the extensive tertiary contacts seen in globular proteins. In the collagen triple helix, the structural adjacency of the carboxy-termini of the three chains makes this region an attractive target for introducing metal binding sites. We engineered His3 sites based on structural modeling constraints into a series of designed homotrimeric and heterotrimeric peptides, assessing the capacity of metal binding to improve stability and in the case of heterotrimers, affect specificity of assembly. Notable enhancements in stability for both homo- and heteromeric systems were observed upon addition of zinc(II) and several other metal ions only when all three histidine ligands were present. Metal binding affinities were consistent with the expected Irving-Williams series for imidazole. Unlike other metals tested, copper(II) also bound to peptides lacking histidine ligands. Acetylation of the peptide N-termini prevented copper binding, indicating proline backbone amide metal-coordination at this site. Copper similarly stabilized animal extracted Type I collagen in a metal-specific fashion, highlighting the potential importance of metal homeostasis within the extracellular matrix.

The worth of data to reduce predictive uncertainty of an integrated catchment model by multi-constraint calibration

NASA Astrophysics Data System (ADS)

Koch, J.; Jensen, K. H.; Stisen, S.

2017-12-01

Hydrological models that integrate numerical process descriptions across compartments of the water cycle are typically required to undergo thorough model calibration in order to estimate suitable effective model parameters. In this study, we apply a spatially distributed hydrological model code which couples the saturated zone with the unsaturated zone and the energy portioning at the land surface. We conduct a comprehensive multi-constraint model calibration against nine independent observational datasets which reflect both the temporal and the spatial behavior of hydrological response of a 1000km2 large catchment in Denmark. The datasets are obtained from satellite remote sensing and in-situ measurements and cover five keystone hydrological variables: discharge, evapotranspiration, groundwater head, soil moisture and land surface temperature. Results indicate that a balanced optimization can be achieved where errors on objective functions for all nine observational datasets can be reduced simultaneously. The applied calibration framework was tailored with focus on improving the spatial pattern performance; however results suggest that the optimization is still more prone to improve the temporal dimension of model performance. This study features a post-calibration linear uncertainty analysis. This allows quantifying parameter identifiability which is the worth of a specific observational dataset to infer values to model parameters through calibration. Furthermore the ability of an observation to reduce predictive uncertainty is assessed as well. Such findings determine concrete implications on the design of model calibration frameworks and, in more general terms, the acquisition of data in hydrological observatories.

Biomechanics meets the ecological niche: the importance of temporal data resolution.

PubMed

Kearney, Michael R; Matzelle, Allison; Helmuth, Brian

2012-03-15

The emerging field of mechanistic niche modelling aims to link the functional traits of organisms to their environments to predict survival, reproduction, distribution and abundance. This approach has great potential to increase our understanding of the impacts of environmental change on individuals, populations and communities by providing functional connections between physiological and ecological response to increasingly available spatial environmental data. By their nature, such mechanistic models are more data intensive in comparison with the more widely applied correlative approaches but can potentially provide more spatially and temporally explicit predictions, which are often needed by decision makers. A poorly explored issue in this context is the appropriate level of temporal resolution of input data required for these models, and specifically the error in predictions that can be incurred through the use of temporally averaged data. Here, we review how biomechanical principles from heat-transfer and metabolic theory are currently being used as foundations for mechanistic niche models and consider the consequences of different temporal resolutions of environmental data for modelling the niche of a behaviourally thermoregulating terrestrial lizard. We show that fine-scale temporal resolution (daily) data can be crucial for unbiased inference of climatic impacts on survival, growth and reproduction. This is especially so for species with little capacity for behavioural buffering, because of behavioural or habitat constraints, and for detecting temporal trends. However, coarser-resolution data (long-term monthly averages) can be appropriate for mechanistic studies of climatic constraints on distribution and abundance limits in thermoregulating species at broad spatial scales.

Unmanned Aerial System Aids Dry-season Stream Temperature Sensing

NASA Astrophysics Data System (ADS)

Chung, M.; Detweiler, C.; Higgins, J.; Ore, J. P.; Dralle, D.; Thompson, S. E.

2016-12-01

In freshwater ecosystems, temperature affects biogeochemistry and ecology, and is thus a primary physical determinant of habitat quality. Measuring temperatures in spatially heterogeneous water bodies poses a serious challenge to researchers due to constraints associated with currently available methods: in situ loggers record temporally continuous temperature measurements but are limited to discrete spatial locations, while distributed temperature and remote sensing provide fine-resolution spatial measurements that are restricted to only two-dimensions (i.e. streambed and surface, respectively). Using a commercially available quadcopter equipped with a 6m cable and temperature-pressure sensor system, we measured stream temperatures at two confluences at the South Fork Eel River, where cold water inputs from the tributary to the mainstem create thermal refugia for juvenile salmonids during the dry season. As a mobile sensing platform, unmanned aerial systems (UAS) can facilitate quick and repeated sampling with minimal disturbance to the ecosystem, and their datasets can be interpolated to create a three-dimensional thermal map of a water body. The UAS-derived data was compared to data from in situ data loggers to evaluate whether the UAS is better able to capture fine-scale temperature dynamics at each confluence. The UAS has inherent limitations defined by battery life and flight times, as well as operational constraints related to maneuverability under wind and streamflow conditions. However, the platform is able to serve as an additional field tool for researchers to capture complex thermal structures in water bodies.

Constraints on geothermal reservoir volume change calculations from InSAR surface displacements and injection and production data

NASA Astrophysics Data System (ADS)

Kaven, J. Ole; Barbour, Andrew J.; Ali, Tabrez

2017-04-01

Continual production of geothermal energy at times leads to significant surface displacement that can be observed in high spatial resolution using InSAR imagery. The surface displacement can be analyzed to resolve volume change within the reservoir revealing the often-complicated patterns of reservoir deformation. Simple point source models of reservoir deformation in a homogeneous elastic or poro-elastic medium can be superimposed to provide spatially varying, kinematic representations of reservoir deformation. In many cases, injection and production data are known in insufficient detail; but, when these are available, the same Green functions can be used to constrain the reservoir deformation. Here we outline how the injection and production data can be used to constrain bounds on the solution by posing the inversion as a quadratic programming with inequality constraints and regularization rather than a conventional least squares solution with regularization. We apply this method to InSAR-derived surface displacements at the Coso and Salton Sea Geothermal Fields in California, using publically available injection and production data. At both geothermal fields the available surface deformation in conjunction with the injection and production data permit robust solutions for the spatially varying reservoir deformation. The reservoir deformation pattern resulting from the constrained quadratic programming solution is more heterogeneous when compared to a conventional least squares solution. The increased heterogeneity is consistent with the known structural controls on heat and fluid transport in each geothermal reservoir.

Developing Talented Soccer Players: An Analysis of Socio-Spatial Factors as Possible Key Constraints

PubMed Central

Pastor-Vicedo, Juan C.; González-Víllora, Sixto; Teoldo da Costa, Israel

2016-01-01

Abstract Most studies on the identification and development of soccer talent have been one-dimensional in nature. Although some multi-dimensional analyses have been conducted, few research studies have assessed in any depth the socio-spatial factors influencing talent development. The aim of this particular study was to analyse variations in the international representation of clubs (n = 821) and countries (n = 59) in the development of players who took part in the 2014 FIFA Soccer World Cup. Clubs and countries were ranked and divided into quartiles according to the number of players developed between the ages of 15 and 21 (clubs and countries that developed players for at least three years between these ages) and the number of official league matches played by these players up to the age of 23. Significant variations were observed between clubs in terms of the number of developed players who took part in the World Cup and the number of official league matches played by these players up to the age of 23 (p < .05), and also between countries (p < .05). The findings reveal the need to carry out more in-depth studies into the type of training and competition engaged in by elite players in the period of development between the ages of 15 and 21. It may be the case that these factors are potentially decisive socio-spatial constraints in the development of soccer talent. PMID:28031773

Spatial enhancer clustering and regulation of enhancer-proximal genes by cohesin

PubMed Central

Ing-Simmons, Elizabeth; Seitan, Vlad C.; Faure, Andre J.; Flicek, Paul; Carroll, Thomas; Dekker, Job; Fisher, Amanda G.; Lenhard, Boris

2015-01-01

In addition to mediating sister chromatid cohesion during the cell cycle, the cohesin complex associates with CTCF and with active gene regulatory elements to form long-range interactions between its binding sites. Genome-wide chromosome conformation capture had shown that cohesin's main role in interphase genome organization is in mediating interactions within architectural chromosome compartments, rather than specifying compartments per se. However, it remains unclear how cohesin-mediated interactions contribute to the regulation of gene expression. We have found that the binding of CTCF and cohesin is highly enriched at enhancers and in particular at enhancer arrays or “super-enhancers” in mouse thymocytes. Using local and global chromosome conformation capture, we demonstrate that enhancer elements associate not just in linear sequence, but also in 3D, and that spatial enhancer clustering is facilitated by cohesin. The conditional deletion of cohesin from noncycling thymocytes preserved enhancer position, H3K27ac, H4K4me1, and enhancer transcription, but weakened interactions between enhancers. Interestingly, ∼50% of deregulated genes reside in the vicinity of enhancer elements, suggesting that cohesin regulates gene expression through spatial clustering of enhancer elements. We propose a model for cohesin-dependent gene regulation in which spatial clustering of enhancer elements acts as a unified mechanism for both enhancer-promoter “connections” and “insulation.” PMID:25677180

Local SAR in parallel transmission pulse design.

PubMed

Lee, Joonsung; Gebhardt, Matthias; Wald, Lawrence L; Adalsteinsson, Elfar

2012-06-01

The management of local and global power deposition in human subjects (specific absorption rate, SAR) is a fundamental constraint to the application of parallel transmission (pTx) systems. Even though the pTx and single channel have to meet the same SAR requirements, the complex behavior of the spatial distribution of local SAR for transmission arrays poses problems that are not encountered in conventional single-channel systems and places additional requirements on pTx radio frequency pulse design. We propose a pTx pulse design method which builds on recent work to capture the spatial distribution of local SAR in numerical tissue models in a compressed parameterization in order to incorporate local SAR constraints within computation times that accommodate pTx pulse design during an in vivo magnetic resonance imaging scan. Additionally, the algorithm yields a protocol-specific ultimate peak in local SAR, which is shown to bound the achievable peak local SAR for a given excitation profile fidelity. The performance of the approach was demonstrated using a numerical human head model and a 7 Tesla eight-channel transmit array. The method reduced peak local 10 g SAR by 14-66% for slice-selective pTx excitations and 2D selective pTx excitations compared to a pTx pulse design constrained only by global SAR. The primary tradeoff incurred for reducing peak local SAR was an increase in global SAR, up to 34% for the evaluated examples, which is favorable in cases where local SAR constraints dominate the pulse applications. Copyright © 2011 Wiley Periodicals, Inc.

Spatio-Temporal Mining of PolSAR Satellite Image Time Series

NASA Astrophysics Data System (ADS)

Julea, A.; Meger, N.; Trouve, E.; Bolon, Ph.; Rigotti, C.; Fallourd, R.; Nicolas, J.-M.; Vasile, G.; Gay, M.; Harant, O.; Ferro-Famil, L.

2010-12-01

This paper presents an original data mining approach for describing Satellite Image Time Series (SITS) spatially and temporally. It relies on pixel-based evolution and sub-evolution extraction. These evolutions, namely the frequent grouped sequential patterns, are required to cover a minimum surface and to affect pixels that are sufficiently connected. These spatial constraints are actively used to face large data volumes and to select evolutions making sense for end-users. In this paper, a specific application to fully polarimetric SAR image time series is presented. Preliminary experiments performed on a RADARSAT-2 SITS covering the Chamonix Mont-Blanc test-site are used to illustrate the proposed approach.

Mechanistic Explanations for Restricted Evolutionary Paths That Emerge from Gene Regulatory Networks

PubMed Central

Cotterell, James; Sharpe, James

2013-01-01

The extent and the nature of the constraints to evolutionary trajectories are central issues in biology. Constraints can be the result of systems dynamics causing a non-linear mapping between genotype and phenotype. How prevalent are these developmental constraints and what is their mechanistic basis? Although this has been extensively explored at the level of epistatic interactions between nucleotides within a gene, or amino acids within a protein, selection acts at the level of the whole organism, and therefore epistasis between disparate genes in the genome is expected due to their functional interactions within gene regulatory networks (GRNs) which are responsible for many aspects of organismal phenotype. Here we explore epistasis within GRNs capable of performing a common developmental function – converting a continuous morphogen input into discrete spatial domains. By exploring the full complement of GRN wiring designs that are able to perform this function, we analyzed all possible mutational routes between functional GRNs. Through this study we demonstrate that mechanistic constraints are common for GRNs that perform even a simple function. We demonstrate a common mechanistic cause for such a constraint involving complementation between counter-balanced gene-gene interactions. Furthermore we show how such constraints can be bypassed by means of “permissive” mutations that buffer changes in a direct route between two GRN topologies that would normally be unviable. We show that such bypasses are common and thus we suggest that unlike what was observed in protein sequence-function relationships, the “tape of life” is less reproducible when one considers higher levels of biological organization. PMID:23613807

Hot hands, cold feet? Investigating effects of interacting constraints on place kicking performance at the 2015 Rugby Union World Cup.

PubMed

Pocock, Chris; Bezodis, Neil E; Davids, Keith; North, Jamie S

2018-06-23

Place kicks in Rugby Union present valuable opportunities to score points outside the spatiotemporal dynamics of open play but are executed under varying performance constraints. We analysed effects of specific task constraints and relevant contextual factors on place kick performance in the 2015 Rugby Union World Cup. Data were collected from television broadcasts for each place kick. In addition to kick outcomes, contextual factors, including time of the kick in the match, score margin at the time of the kick, and outcome of the kicker's previous kick, were recorded. Effects of spatial task constraints were analysed for each kick, using distance (m) and angle (°) of the kick to the goalposts. A binomial logistic regression model revealed that distance from, and angle to, the goalposts were significant predictors of place kick outcome. Furthermore, the success percentage of kickers who missed their previous kick was 7% lower than those who scored their previous kick. Place kick success percentage in the 10 minutes before half-time was 8% lower than the mean tournament success percentage, which was 75% (95% CI 71-78%). The highest kick success percentage was recorded when scores were level (83%; 95% CI 72-91%). Our data highlighted how subtle changes in task constraints and contextual factors can influence performance outcomes in elite performers in international competition. Fluctuations in place kick success suggested that individual constraints, such as thoughts, emotions and fatigue, induced during competition, could interact with perceptions to influence emergent performance behaviours.