Peer Learning across the Undergraduate Information Systems Curriculum.

ERIC Educational Resources Information Center

Granger, Mary J.; Lippert, Susan K.

1999-01-01

Focuses on the use of in-class peer learning experiences in several typical Information Systems courses. Provides additional summaries of three semester-long learning projects in Structured Programming, Systems Design, and Database Design. (Contains 29 references.) (Author/ASK)

Recontextualizing Military Structures along the Stanegate and Hadrian's Wall Utilizing Aerial Photography and GIS Mapping

NASA Astrophysics Data System (ADS)

Sieteski, Sara

This dissertation examines the region along the Stanegate frontier, just below Hadrian's Wall, on both a macroscopic and microscopic level, to analyze how landscape affected placement of forts, camps, and other military structures. It aims to explore known archaeological structures as well as expose new areas of interest, not yet discovered through traditional survey methods. It asks the question of whether temporary structures helped lead to the development of permanent structures, as part of the overall limes defensive strategy. While a lack of archaeological dating on many of these structures often provides the greatest challenge, the aim is to determine what additional information can be deduced about how landscape affected this region and to set an agenda of future survey work, designed to improve our understanding of it. In addition, this approach aims to improve understanding of the function of these installations and their relationship to the Wall and each other. Aerial photography and the construction of a geographic information system (GIS) can prove a valuable tool in surveying the region, to extract data from forts, camps, and recently discovered land depressions. Measurements can be taken to determine if there is a similar building pattern which might reflect contemporaneous construction periods. Distances between structures can be taken to determine the significance of their spacing and arrangement. In addition, data sets containing information on bedrock, ancient woodlands, ecology, and hydrology can provide valuable insight on the topography of each site. This work is meant to serve as a foundational piece for future scholars to build upon to continue to expand our understanding of the region, as computational methods become more sophisticated and data access becomes more readily available across the globe.

Representing nested semantic information in a linear string of text using XML.

PubMed

Krauthammer, Michael; Johnson, Stephen B; Hripcsak, George; Campbell, David A; Friedman, Carol

2002-01-01

XML has been widely adopted as an important data interchange language. The structure of XML enables sharing of data elements with variable degrees of nesting as long as the elements are grouped in a strict tree-like fashion. This requirement potentially restricts the usefulness of XML for marking up written text, which often includes features that do not properly nest within other features. We encountered this problem while marking up medical text with structured semantic information from a Natural Language Processor. Traditional approaches to this problem separate the structured information from the actual text mark up. This paper introduces an alternative solution, which tightly integrates the semantic structure with the text. The resulting XML markup preserves the linearity of the medical texts and can therefore be easily expanded with additional types of information.

Representing nested semantic information in a linear string of text using XML.

PubMed Central

Krauthammer, Michael; Johnson, Stephen B.; Hripcsak, George; Campbell, David A.; Friedman, Carol

2002-01-01

XML has been widely adopted as an important data interchange language. The structure of XML enables sharing of data elements with variable degrees of nesting as long as the elements are grouped in a strict tree-like fashion. This requirement potentially restricts the usefulness of XML for marking up written text, which often includes features that do not properly nest within other features. We encountered this problem while marking up medical text with structured semantic information from a Natural Language Processor. Traditional approaches to this problem separate the structured information from the actual text mark up. This paper introduces an alternative solution, which tightly integrates the semantic structure with the text. The resulting XML markup preserves the linearity of the medical texts and can therefore be easily expanded with additional types of information. PMID:12463856

A Generalized Information Theoretical Model for Quantum Secret Sharing

NASA Astrophysics Data System (ADS)

Bai, Chen-Ming; Li, Zhi-Hui; Xu, Ting-Ting; Li, Yong-Ming

2016-11-01

An information theoretical model for quantum secret sharing was introduced by H. Imai et al. (Quantum Inf. Comput. 5(1), 69-80 2005), which was analyzed by quantum information theory. In this paper, we analyze this information theoretical model using the properties of the quantum access structure. By the analysis we propose a generalized model definition for the quantum secret sharing schemes. In our model, there are more quantum access structures which can be realized by our generalized quantum secret sharing schemes than those of the previous one. In addition, we also analyse two kinds of important quantum access structures to illustrate the existence and rationality for the generalized quantum secret sharing schemes and consider the security of the scheme by simple examples.

What did Erwin mean? The physics of information from the materials genomics of aperiodic crystals and water to molecular information catalysts and life.

PubMed

Varn, D P; Crutchfield, J P

2016-03-13

Erwin Schrödinger famously and presciently ascribed the vehicle transmitting the hereditary information underlying life to an 'aperiodic crystal'. We compare and contrast this, only later discovered to be stored in the linear biomolecule DNA, with the information-bearing, layered quasi-one-dimensional materials investigated by the emerging field of chaotic crystallography. Despite differences in functionality, the same information measures capture structure and novelty in both, suggesting an intimate coherence between the information character of biotic and abiotic matter-a broadly applicable physics of information. We review layered solids and consider three examples of how information- and computation-theoretic techniques are being applied to understand their structure. In particular, (i) we review recent efforts to apply new kinds of information measures to quantify disordered crystals; (ii) we discuss the structure of ice I in information-theoretic terms; and (iii) we recount recent investigations into the structure of tris(bicyclo[2.1.1]hexeno)benzene, showing how an information-theoretic analysis yields additional insight into its structure. We then illustrate a new Second Law of Thermodynamics that describes information processing in active low-dimensional materials, reviewing Maxwell's Demon and a new class of molecular devices that act as information catalysts. Lastly, we conclude by speculating on how these ideas from informational materials science may impact biology. © 2016 The Author(s).

Fishing and temperature effects on the size structure of exploited fish stocks.

PubMed

Tu, Chen-Yi; Chen, Kuan-Ting; Hsieh, Chih-Hao

2018-05-08

Size structure of fish stock plays an important role in maintaining sustainability of the population. Size distribution of an exploited stock is predicted to shift toward small individuals caused by size-selective fishing and/or warming; however, their relative contribution remains relatively unexplored. In addition, existing analyses on size structure have focused on univariate size-based indicators (SBIs), such as mean length, evenness of size classes, or the upper 95-percentile of the length frequency distribution; these approaches may not capture full information of size structure. To bridge the gap, we used the variation partitioning approach to examine how the size structure (composition of size classes) responded to fishing, warming and the interaction. We analyzed 28 exploited stocks in the West US, Alaska and North Sea. Our result shows fishing has the most prominent effect on the size structure of the exploited stocks. In addition, the fish stocks experienced higher variability in fishing is more responsive to the temperature effect in their size structure, suggesting that fishing may elevate the sensitivity of exploited stocks in responding to environmental effects. The variation partitioning approach provides complementary information to univariate SBIs in analyzing size structure.

Concept for Future Data Services at the Long-Term Archive of WDCC combining DOIs with common PIDs

NASA Astrophysics Data System (ADS)

Stockhause, Martina; Weigel, Tobias; Toussaint, Frank; Höck, Heinke; Thiemann, Hannes; Lautenschlager, Michael

2013-04-01

The World Data Center for Climate (WDCC) hosted at the German Climate Computing Center (DKRZ) maintains a long-term archive (LTA) of climate model data as well as observational data. WDCC distinguishes between two types of LTA data: Structured data: Data output of an instrument or of a climate model run consists of numerous, highly structured individual datasets in a uniform format. Part of these data is also published on an ESGF (Earth System Grid Federation) data node. Detailed metadata is available allowing for fine-grained user-defined data access. Unstructured data: LTA data of finished scientific projects are in general unstructured and consist of datasets of different formats, different sizes, and different contents. For these data compact metadata is available as content information. The structured data is suitable for WDCC's DataCite DOI process, the project data only in exceptional cases. The DOI process includes a thorough quality control process of technical as well as scientific aspects by the publication agent and the data creator. DOIs are assigned to data collections appropriate to be cited in scientific publications, like a simulation run. The data collection is defined in agreement with the data creator. At the moment there is no possibility to identify and cite individual datasets within this DOI data collection analogous to the citation of chapters in a book. Also missing is a compact citation regulation for a user-specified collection of data. WDCC therefore complements its existing LTA/DOI concept by Persistent Identifier (PID) assignment to datasets using Handles. In addition to data identification for internal and external use, the concept of PIDs allows to define relations among PIDs. Such structural information is stored as key-value pair directly in the handles. Thus, relations provide basic provenance or lineage information, even if part of the data like intermediate results are lost. WDCC intends to use additional PIDs on metadata entities with a relation to the data PID(s). These add background information on the data creation process (e.g. descriptions of experiment, model, model set-up, and platform for the model run etc.) to the data. These pieces of additional information increase the re-usability of the archived model data, significantly. Other valuable additional information for scientific collaboration could be added by the same mechanism, like quality information and annotations. Apart from relations among data and metadata entities, PIDs on collections are advantageous for model data: Collections allow for persistent references to single datasets or subsets of data assigned a DOI, Data objects and additional information objects can be consistently connected via relations (provenance, creation, quality information for data),

The structural, connectomic and network covariance of the human brain.

PubMed

Irimia, Andrei; Van Horn, John D

2013-02-01

Though it is widely appreciated that complex structural, functional and morphological relationships exist between distinct areas of the human cerebral cortex, the extent to which such relationships coincide remains insufficiently appreciated. Here we determine the extent to which correlations between brain regions are modulated by either structural, connectomic or network-theoretic properties using a structural neuroimaging data set of magnetic resonance imaging (MRI) and diffusion tensor imaging (DTI) volumes acquired from N=110 healthy human adults. To identify the linear relationships between all available pairs of regions, we use canonical correlation analysis to test whether a statistically significant correlation exists between each pair of cortical parcels as quantified via structural, connectomic or network-theoretic measures. In addition to this, we investigate (1) how each group of canonical variables (whether structural, connectomic or network-theoretic) contributes to the overall correlation and, additionally, (2) whether each individual variable makes a significant contribution to the test of the omnibus null hypothesis according to which no correlation between regions exists across subjects. We find that, although region-to-region correlations are extensively modulated by structural and connectomic measures, there are appreciable differences in how these two groups of measures drive inter-regional correlation patterns. Additionally, our results indicate that the network-theoretic properties of the cortex are strong modulators of region-to-region covariance. Our findings are useful for understanding the structural and connectomic relationship between various parts of the brain, and can inform theoretical and computational models of cortical information processing. Published by Elsevier Inc.

Direct Bio-printing with Heterogeneous Topology Design.

PubMed

Ahsan, Amm Nazmul; Xie, Ruinan; Khoda, Bashir

2017-01-01

Bio-additive manufacturing is a promising tool to fabricate porous scaffold structures for expediting the tissue regeneration processes. Unlike the most traditional bulk material objects, the microstructures of tissue and organs are mostly highly anisotropic, heterogeneous, and porous in nature. However, modelling the internal heterogeneity of tissues/organs structures in the traditional CAD environment is difficult and oftentimes inaccurate. Besides, the de facto STL conversion of bio-models introduces loss of information and piles up more errors in each subsequent step (build orientation, slicing, tool-path planning) of the bio-printing process plan. We are proposing a topology based scaffold design methodology to accurately represent the heterogeneous internal architecture of tissues/organs. An image analysis technique is used that digitizes the topology information contained in medical images of tissues/organs. A weighted topology reconstruction algorithm is implemented to represent the heterogeneity with parametric functions. The parametric functions are then used to map the spatial material distribution. The generated information is directly transferred to the 3D bio-printer and heterogeneous porous tissue scaffold structure is manufactured without STL file. The proposed methodology is implemented to verify the effectiveness of the approach and the designed example structure is bio-fabricated with a deposition based bio-additive manufacturing system.

Using the USGS Seismic Risk Web Application to estimate aftershock damage

USGS Publications Warehouse

McGowan, Sean M.; Luco, Nicolas

2014-01-01

The U.S. Geological Survey (USGS) Engineering Risk Assessment Project has developed the Seismic Risk Web Application to combine earthquake hazard and structural fragility information in order to calculate the risk of earthquake damage to structures. Enabling users to incorporate their own hazard and fragility information into the calculations will make it possible to quantify (in near real-time) the risk of additional damage to structures caused by aftershocks following significant earthquakes. Results can quickly be shared with stakeholders to illustrate the impact of elevated ground motion hazard and earthquake-compromised structural integrity on the risk of damage during a short-term, post-earthquake time horizon.

A database paradigm for the management of DICOM-RT structure sets using a geographic information system

NASA Astrophysics Data System (ADS)

Shao, Weber; Kupelian, Patrick A.; Wang, Jason; Low, Daniel A.; Ruan, Dan

2014-03-01

We devise a paradigm for representing the DICOM-RT structure sets in a database management system, in such way that secondary calculations of geometric information can be performed quickly from the existing contour definitions. The implementation of this paradigm is achieved using the PostgreSQL database system and the PostGIS extension, a geographic information system commonly used for encoding geographical map data. The proposed paradigm eliminates the overhead of retrieving large data records from the database, as well as the need to implement various numerical and data parsing routines, when additional information related to the geometry of the anatomy is desired.

The Evolution of Networks in Extreme and Isolated Environment

NASA Technical Reports Server (NTRS)

Johnson, Jeffrey C.; Boster, James S.; Palinkas, Lawrence A.

2000-01-01

This article reports on the evolution of network structure as it relates to the formal and informal aspects of social roles in well bounded, isolated groups. Research was conducted at the Amundsen-Scott South Pole Station over a 3-year period. Data was collected on crewmembers' networks of social interaction and personal advice over each of the 8.5-month winters during a time of complete isolation. In addition, data was collected on informal social role structure (e.g., instrumental leadership, expressive leadership). It was hypothesized that development and maintenance of a cohesive group structure was related to the presence of and group consensus on various informal social roles. The study found that core-periphery structures (i.e., reflecting cohesion) in winter-over groups were associated with the presence of critically important informal social roles (e.g., expressive leadership) and high group consensus on such informal roles. On the other hand, the evolution of clique structures (i.e., lack of cohesion) were associated with the absence of critical roles and a lack of consensus on these roles, particularly the critically important role of instrumental leader.

Depth-tunable three-dimensional display with interactive light field control

NASA Astrophysics Data System (ADS)

Xie, Songlin; Wang, Peng; Sang, Xinzhu; Li, Chenyu; Dou, Wenhua; Xiao, Liquan

2016-07-01

A software-defined depth-tunable three-dimensional (3D) display with interactive 3D depth control is presented. With the proposed post-processing system, the disparity of the multi-view media can be freely adjusted. Benefiting from a wealth of information inherently contains in dense multi-view images captured with parallel arrangement camera array, the 3D light field is built and the light field structure is controlled to adjust the disparity without additional acquired depth information since the light field structure itself contains depth information. A statistical analysis based on the least square is carried out to extract the depth information inherently exists in the light field structure and the accurate depth information can be used to re-parameterize light fields for the autostereoscopic display, and a smooth motion parallax can be guaranteed. Experimental results show that the system is convenient and effective to adjust the 3D scene performance in the 3D display.

Self-organisation of symbolic information

NASA Astrophysics Data System (ADS)

Feistel, R.

2017-01-01

Information is encountered in two different appearances, in native form by arbitrary physical structures, or in symbolic form by coded sequences of letters or the like. The self-organised emergence of symbolic information from structural information is referred to as a ritualisation transition. Occurring at some stage in evolutionary history, ritualisation transitions have in common that after the crossover, arbitrary symbols are issued and recognised by information-processing devices, by transmitters and receivers in the sense of Shannon's communication theory. Symbolic information-processing systems exhibit the fundamental code symmetry whose key features, such as largely lossless copying or persistence under hostile conditions, may elucidate the reasons for the repeated successful occurrence of ritualisation phenomena in evolution history. Ritualisation examples are briefly reviewed such as the origin of life, the appearance of human languages, the establishment of emergent social categories such as money, or the development of digital computers. In addition to their role as carriers of symbolic information, symbols are physical structures which also represent structural information. For a thermodynamic description of symbols and their arrangements, it appears reasonable to distinguish between Boltzmann entropy, Clausius entropy and Pauling entropy. Thermodynamic properties of symbols imply that their lifetimes are limited by the 2nd law.

Automated Data Cleansing in Data Harvesting and Data Migration

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

Martin, Mark; Vowell, Lance; King, Ian

2011-03-16

In the proposal for this project, we noted how the explosion of digitized information available through corporate databases, data stores and online search systems has resulted in the knowledge worker being bombarded by information. Knowledge workers typically spend more than 20-30% of their time seeking and sorting information, only finding the information 50-60% of the time . This information exists as unstructured, semi-structured and structured data. The problem of information overload is compounded by the production of duplicate or near-duplicate information. In addition, near-duplicate items frequently have different origins, creating a situation in which each item may have unique informationmore » of value, but their differences are not significant enough to justify maintaining them as separate entities. Effective tools can be provided to eliminate duplicate and near-duplicate information. The proposed approach was to extract unique information from data sets and consolidation that information into a single comprehensive file.« less

CYPSI: a structure-based interface for cytochrome P450s and ligands in Arabidopsis thaliana

PubMed Central

2012-01-01

Background The cytochrome P450 (CYP) superfamily enables terrestrial plants to adapt to harsh environments. CYPs are key enzymes involved in a wide range of metabolic pathways. It is particularly useful to be able to analyse the three-dimensional (3D) structure when investigating the interactions between CYPs and their substrates. However, only two plant CYP structures have been resolved. In addition, no currently available databases contain structural information on plant CYPs and ligands. Fortunately, the 3D structure of CYPs is highly conserved and this has made it possible to obtain structural information from template-based modelling (TBM). Description The CYP Structure Interface (CYPSI) is a platform for CYP studies. CYPSI integrated the 3D structures for 266 A. thaliana CYPs predicted by three TBM methods: BMCD, which we developed specifically for CYP TBM; and two well-known web-servers, MUSTER and I-TASSER. After careful template selection and optimization, the models built by BMCD were accurate enough for practical application, which we demonstrated using a docking example aimed at searching for the CYPs responsible for ABA 8′-hydroxylation. CYPSI also provides extensive resources for A. thaliana CYP structure and function studies, including 400 PDB entries for solved CYPs, 48 metabolic pathways associated with A. thaliana CYPs, 232 reported CYP ligands and 18 A. thaliana CYPs docked with ligands (61 complexes in total). In addition, CYPSI also includes the ability to search for similar sequences and chemicals. Conclusions CYPSI provides comprehensive structure and function information for A. thaliana CYPs, which should facilitate investigations into the interactions between CYPs and their substrates. CYPSI has a user-friendly interface, which is available at http://bioinfo.cau.edu.cn/CYPSI. PMID:23256889

Modelling of high-frequency structure-borne sound transmission on FEM grids using the Discrete Flow Mapping technique

NASA Astrophysics Data System (ADS)

Hartmann, Timo; Tanner, Gregor; Xie, Gang; Chappell, David; Bajars, Janis

2016-09-01

Dynamical Energy Analysis (DEA) combined with the Discrete Flow Mapping technique (DFM) has recently been introduced as a mesh-based high frequency method modelling structure borne sound for complex built-up structures. This has proven to enhance vibro-acoustic simulations considerably by making it possible to work directly on existing finite element meshes circumventing time-consuming and costly re-modelling strategies. In addition, DFM provides detailed spatial information about the vibrational energy distribution within a complex structure in the mid-to-high frequency range. We will present here progress in the development of the DEA method towards handling complex FEM-meshes including Rigid Body Elements. In addition, structure borne transmission paths due to spot welds are considered. We will present applications for a car floor structure.

How Community Has Shaped the Protein Data Bank

PubMed Central

Berman, Helen M.; Kleywegt, Gerard J.; Nakamura, Haruki; Markley, John L.

2015-01-01

Following several years of community discussion, the Protein Data Bank (PDB) was established in 1971 as a public repository for the coordinates of three-dimensional models of biological macromolecules. Since then, the number, size, and complexity of structural models have continued to grow, reflecting the productivity of structural biology. Managed by the Worldwide PDB organization, the PDB has been able to meet increasing demands for the quantity of structural information and of quality. In addition to providing unrestricted access to structural information, the PDB also works to promote data standards and to raise the profile of structural biology with broader audiences. In this perspective, we describe the history of PDB and the many ways in which the community continues to shape the archive. PMID:24010707

Carbonate Melt Rocks from the Haughton Impact Structure, Devon Island, Nunavut, Canada

NASA Technical Reports Server (NTRS)

Osinski, G. R.; Spray, J. G.; Lee, P.

2002-01-01

The target rocks at the Haughton impact structure, Canada, are predominantly carbonates. The well preserved allochthonous crater-fill deposits are reinterpreted here as being carbonatitic impact melt rocks. The implications of our findings will be discussed. Additional information is contained in the original extended abstract.

Impact of individual interest shift on information dissemination in modular networks

NASA Astrophysics Data System (ADS)

Zhao, Narisa; Cui, Xuelian

2017-01-01

Social networks exhibit strong community structure. Many researches have been done to explore the impacts of community structure on information diffusion but few combined with human behaviors together. In this paper, we focus on how the individual interests' changing behavior impacts the dynamics of information propagation. Firstly, we propose an information dissemination model considering both the community structure and individual interest shift where social reinforcement and time decaying are taken into account. The accuracy of the model is evaluated by comparing the simulation and theoretical results. Further, the numerical results illustrate that both the community structure and the interests changing behavior have effects on the outbreak size of the information dissemination. Specially, lower modularity and higher community connection density will accelerate the speed of information propagation especially when the information maximal lifetime is shorter. In addition, the changes of individual interests in the message have a great impact on the final density of the received through increasing or decreasing the number of satisfied individuals directly. What is more, our findings suggest that when the modularity of the network is higher and the community clustering coefficient is lower individual interest shift behavior will have a heavier effect on the spread scope.

The contribution of visual information to the perception of speech in noise with and without informative temporal fine structure

PubMed Central

Stacey, Paula C.; Kitterick, Pádraig T.; Morris, Saffron D.; Sumner, Christian J.

2017-01-01

Understanding what is said in demanding listening situations is assisted greatly by looking at the face of a talker. Previous studies have observed that normal-hearing listeners can benefit from this visual information when a talker's voice is presented in background noise. These benefits have also been observed in quiet listening conditions in cochlear-implant users, whose device does not convey the informative temporal fine structure cues in speech, and when normal-hearing individuals listen to speech processed to remove these informative temporal fine structure cues. The current study (1) characterised the benefits of visual information when listening in background noise; and (2) used sine-wave vocoding to compare the size of the visual benefit when speech is presented with or without informative temporal fine structure. The accuracy with which normal-hearing individuals reported words in spoken sentences was assessed across three experiments. The availability of visual information and informative temporal fine structure cues was varied within and across the experiments. The results showed that visual benefit was observed using open- and closed-set tests of speech perception. The size of the benefit increased when informative temporal fine structure cues were removed. This finding suggests that visual information may play an important role in the ability of cochlear-implant users to understand speech in many everyday situations. Models of audio-visual integration were able to account for the additional benefit of visual information when speech was degraded and suggested that auditory and visual information was being integrated in a similar way in all conditions. The modelling results were consistent with the notion that audio-visual benefit is derived from the optimal combination of auditory and visual sensory cues. PMID:27085797

A New Model for the Organizational Structure of Medical Record Departments in Hospitals in Iran

PubMed Central

Moghaddasi, Hamid; Hosseini, Azamossadat; Sheikhtaheri, Abbas

2006-01-01

The organizational structure of medical record departments in Iran is not appropriate for the efficient management of healthcare information. In addition, there is no strong information management division to provide comprehensive information management services in hospitals in Iran. Therefore, a suggested model was designed based on four main axes: 1) specifications of a Health Information Management Division, 2) specifications of a Healthcare Information Management Department, 3) the functions of the Healthcare Information Management Department, and 4) the units of the Healthcare Information Management Department. The validity of the model was determined through use of the Delphi technique. The results of the validation process show that the majority of experts agree with the model and consider it to be appropriate and applicable for hospitals in Iran. The model is therefore recommended for hospitals in Iran. PMID:18066362

Public risk perception of food additives and food scares. The case in Suzhou, China.

PubMed

Wu, Linhai; Zhong, Yingqi; Shan, Lijie; Qin, Wei

2013-11-01

This study examined the factors affecting public risk perception of food additive safety and possible resulting food scares using a survey conducted in Suzhou, Jiangsu Province, China. The model was proposed based on literature relating to the role of risk perception and information perception of public purchase intention under food scares. Structural equation modeling (SEM) was used for data analysis. The results showed that attitude towards behavior, subjective norm and information perception exerted moderate to high effect on food scares, and the effects were also mediated by risk perceptions of additive safety. Significant covariance was observed between attitudes toward behavior, subjective norm and information perception. Establishing an effective mechanism of food safety risk communication, releasing information of government supervision on food safety in a timely manner, curbing misleading media reports on public food safety risk, and enhancing public knowledge of the food additives are key to the development and implementation of food safety risk management policies by the Chinese government. Copyright © 2013 Elsevier Ltd. All rights reserved.

Thermal Analysis by Structural Characterization as a Method for Assessing Heterogeneity in Complex Solid Pharmaceutical Dosage Forms.

PubMed

Alhijjaj, Muqdad; Reading, Mike; Belton, Peter; Qi, Sheng

2015-11-03

Characterizing inter- and intrasample heterogeneity of solid and semisolid pharmaceutical products is important both for rational design of dosage forms and subsequent quality control during manufacture; however, most pharmaceutical products are multicomponent formulations that are challenging in this regard. Thermal analysis, in particular differential scanning calorimetry, is commonly used to obtain structural information, such as degree of crystallinity, or identify the presence of a particular polymorph, but the results are an average over the whole sample; it cannot directly provide information about the spatial distribution of phases. This study demonstrates the use of a new thermo-optical technique, thermal analysis by structural characterization (TASC), that can provide spatially resolved information on thermal transitions by applying a novel algorithm to images acquired by hot stage microscopy. We determined that TASC can be a low cost, relatively rapid method of characterizing heterogeneity and other aspects of structure. In the examples studied, it was found that high heating rates enabled screening times of 3-5 min per sample. In addition, this study demonstrated the higher sensitivity of TASC for detecting the metastable form of polyethylene glycol (PEG) compared to conventional differential scanning calorimetry (DSC). This preliminary work suggests that TASC will be a worthwhile additional tool for characterizing a broad range of materials.

Performance of optimum detector structures for noisy intersymbol interference channels

NASA Technical Reports Server (NTRS)

Womer, J. D.; Fritchman, B. D.; Kanal, L. N.

1971-01-01

The errors which arise in transmitting digital information by radio or wireline systems because of additive noise from successively transmitted signals interfering with one another are described. The probability of error and the performance of optimum detector structures are examined. A comparative study of the performance of certain detector structures and approximations to them, and the performance of a transversal equalizer are included.

The National Biomedical Communications Network as a Developing Structure *

PubMed Central

Davis, Ruth M.

1971-01-01

The National Biomedical Communications Network has evolved both from a set of conceptual recommendations over the last twelve years and an accumulation of needs manifesting themselves in the requests of members of the medical community. With a short history of three years this network and its developing structure have exhibited most of the stresses of technology interfacing with customer groups, and of a structure attempting to build itself upon many existing fragmentary unconnected segments of a potentially viable resourcesharing capability. In addition to addressing these topics, the paper treats a design appropriate to any network devoted to information transfer in a special interest user community. It discusses fundamentals of network design, highlighting that network structure most appropriate to a national information network. Examples are given of cost analyses of information services and certain conjectures are offered concerning the roles of national networks. PMID:5542912

The statistical trade-off between word order and word structure – Large-scale evidence for the principle of least effort

PubMed Central

Koplenig, Alexander; Meyer, Peter; Wolfer, Sascha; Müller-Spitzer, Carolin

2017-01-01

Languages employ different strategies to transmit structural and grammatical information. While, for example, grammatical dependency relationships in sentences are mainly conveyed by the ordering of the words for languages like Mandarin Chinese, or Vietnamese, the word ordering is much less restricted for languages such as Inupiatun or Quechua, as these languages (also) use the internal structure of words (e.g. inflectional morphology) to mark grammatical relationships in a sentence. Based on a quantitative analysis of more than 1,500 unique translations of different books of the Bible in almost 1,200 different languages that are spoken as a native language by approximately 6 billion people (more than 80% of the world population), we present large-scale evidence for a statistical trade-off between the amount of information conveyed by the ordering of words and the amount of information conveyed by internal word structure: languages that rely more strongly on word order information tend to rely less on word structure information and vice versa. Or put differently, if less information is carried within the word, more information has to be spread among words in order to communicate successfully. In addition, we find that–despite differences in the way information is expressed–there is also evidence for a trade-off between different books of the biblical canon that recurs with little variation across languages: the more informative the word order of the book, the less informative its word structure and vice versa. We argue that this might suggest that, on the one hand, languages encode information in very different (but efficient) ways. On the other hand, content-related and stylistic features are statistically encoded in very similar ways. PMID:28282435

Highly Shocked Low Density Sedimentary Rocks from the Haughton Impact Structure, Devon Island, Nunavut, Canada

NASA Technical Reports Server (NTRS)

Osinski, G. R.; Spray, J. G.

2001-01-01

We present the preliminary results of a detailed investigation of the shock effects in highly shocked, low density sedimentary rocks from the Haughton impact structure. We suggest that some textural features can be explained by carbonate-silicate immiscibility. Additional information is contained in the original extended abstract.

Integrated Geologic, Hydrologic, and Geophysical Investigations of the Chesapeake Bay Impact Structure, Virginia, USA: A Multi-Agency Program

NASA Technical Reports Server (NTRS)

Gohn, G. S.; Bruce, T. S.; Catchings, R. D.; Emry, S. R.; Johnson, G. H.; Levine, J. S.; McFarland, E. R.; Poag, C. W.; Powars, D. S.

2001-01-01

The Chesapeake Bay impact structure is the focus of an ongoing federal-state-local research program. Recent core drilling and geophysical surveys address the formative processes and hydrogeologic properties of this major "wet-target" impact. Additional information is contained in the original extended abstract.

78 FR 39233 - Data Practices, Computer III Further Remand: BOC Provision of Enhanced Services

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-01

... additional information on the rulemaking process, see the SUPPLEMENTARY INFORMATION section of this document....702 of the Commission's rules and regulations (Computer II Final Decision), 77 FCC 2d 384 (1980... Commission's decision to lift structural separation in Computer III and the implementation of ONA. In light...

RPG: the Ribosomal Protein Gene database.

PubMed

Nakao, Akihiro; Yoshihama, Maki; Kenmochi, Naoya

2004-01-01

RPG (http://ribosome.miyazaki-med.ac.jp/) is a new database that provides detailed information about ribosomal protein (RP) genes. It contains data from humans and other organisms, including Drosophila melanogaster, Caenorhabditis elegans, Saccharo myces cerevisiae, Methanococcus jannaschii and Escherichia coli. Users can search the database by gene name and organism. Each record includes sequences (genomic, cDNA and amino acid sequences), intron/exon structures, genomic locations and information about orthologs. In addition, users can view and compare the gene structures of the above organisms and make multiple amino acid sequence alignments. RPG also provides information on small nucleolar RNAs (snoRNAs) that are encoded in the introns of RP genes.

RPG: the Ribosomal Protein Gene database

PubMed Central

Nakao, Akihiro; Yoshihama, Maki; Kenmochi, Naoya

2004-01-01

RPG (http://ribosome.miyazaki-med.ac.jp/) is a new database that provides detailed information about ribosomal protein (RP) genes. It contains data from humans and other organisms, including Drosophila melanogaster, Caenorhabditis elegans, Saccharo myces cerevisiae, Methanococcus jannaschii and Escherichia coli. Users can search the database by gene name and organism. Each record includes sequences (genomic, cDNA and amino acid sequences), intron/exon structures, genomic locations and information about orthologs. In addition, users can view and compare the gene structures of the above organisms and make multiple amino acid sequence alignments. RPG also provides information on small nucleolar RNAs (snoRNAs) that are encoded in the introns of RP genes. PMID:14681386

Confocal laser scanning microscopy of porcine skin: implications for human wound healing studies

PubMed Central

VARDAXIS, N. J.; BRANS, T. A.; BOON, M. E.; KREIS, R. W.; MARRES, L. M.

1997-01-01

The structure of porcine skin as examined by light microscopy is reviewed and its similarities to and differences from human skin are highlighted. Special imaging techniques and staining procedures are described and their use in gathering morphological information in porcine skin is discussed. Confocal laser scanning microscopy (CLSM) was employed to examine the structure of porcine skin and the findings are presented as an adjunct to the information already available in the literature. It is concluded that CLSM provides valuable additional morphological information to material examined by conventional microscopy and is useful for wound healing studies in the porcine model. PMID:9183682

Databases and Associated Tools for Glycomics and Glycoproteomics.

PubMed

Lisacek, Frederique; Mariethoz, Julien; Alocci, Davide; Rudd, Pauline M; Abrahams, Jodie L; Campbell, Matthew P; Packer, Nicolle H; Ståhle, Jonas; Widmalm, Göran; Mullen, Elaine; Adamczyk, Barbara; Rojas-Macias, Miguel A; Jin, Chunsheng; Karlsson, Niclas G

2017-01-01

The access to biodatabases for glycomics and glycoproteomics has proven to be essential for current glycobiological research. This chapter presents available databases that are devoted to different aspects of glycobioinformatics. This includes oligosaccharide sequence databases, experimental databases, 3D structure databases (of both glycans and glycorelated proteins) and association of glycans with tissue, disease, and proteins. Specific search protocols are also provided using tools associated with experimental databases for converting primary glycoanalytical data to glycan structural information. In particular, researchers using glycoanalysis methods by U/HPLC (GlycoBase), MS (GlycoWorkbench, UniCarb-DB, GlycoDigest), and NMR (CASPER) will benefit from this chapter. In addition we also include information on how to utilize glycan structural information to query databases that associate glycans with proteins (UniCarbKB) and with interactions with pathogens (SugarBind).

How community has shaped the Protein Data Bank.

PubMed

Berman, Helen M; Kleywegt, Gerard J; Nakamura, Haruki; Markley, John L

2013-09-03

Following several years of community discussion, the Protein Data Bank (PDB) was established in 1971 as a public repository for the coordinates of three-dimensional models of biological macromolecules. Since then, the number, size, and complexity of structural models have continued to grow, reflecting the productivity of structural biology. Managed by the Worldwide PDB organization, the PDB has been able to meet increasing demands for the quantity of structural information and of quality. In addition to providing unrestricted access to structural information, the PDB also works to promote data standards and to raise the profile of structural biology with broader audiences. In this perspective, we describe the history of PDB and the many ways in which the community continues to shape the archive. Copyright © 2013 Elsevier Ltd. All rights reserved.

Information entropy of humpback whale songs.

PubMed

Suzuki, Ryuji; Buck, John R; Tyack, Peter L

2006-03-01

The structure of humpback whale (Megaptera novaeangliae) songs was examined using information theory techniques. The song is an ordered sequence of individual sound elements separated by gaps of silence. Song samples were converted into sequences of discrete symbols by both human and automated classifiers. This paper analyzes the song structure in these symbol sequences using information entropy estimators and autocorrelation estimators. Both parametric and nonparametric entropy estimators are applied to the symbol sequences representing the songs. The results provide quantitative evidence consistent with the hierarchical structure proposed for these songs by Payne and McVay [Science 173, 587-597 (1971)]. Specifically, this analysis demonstrates that: (1) There is a strong structural constraint, or syntax, in the generation of the songs, and (2) the structural constraints exhibit periodicities with periods of 6-8 and 180-400 units. This implies that no empirical Markov model is capable of representing the songs' structure. The results are robust to the choice of either human or automated song-to-symbol classifiers. In addition, the entropy estimates indicate that the maximum amount of information that could be communicated by the sequence of sounds made is less than 1 bit per second.

[Not Available].

PubMed

González Pérez, Rocío; Teresa Gijón Sánchez, M; José Escudero Carretero, M; Angeles Prieto Rodríguez, M; Carles March Cerdá, Joan; Ruiz Azarola, Ainhoa

2008-05-01

Patients' need for health information is widely recognized. The aim of this study was to determine how patients currently receive and rate this information. Additionally, we aimed to identify the needs and expectations of citizens of the autonomous region of Andalusia in this regard. We performed a qualitative research study involving semi-structured telephone interviews with participants. A total of 48 interviews were performed in people with different social and health profiles from a structural sample. The final selection of persons to be interviewed was made using the snow-ball sampling method. Interview material was analyzed by means of NUDIST vivo 1.1 software-aided content analysis. The interviewees reported receiving health information mainly from healthcare personnel. Supplementary information sources were the internet, associations and publications. The interviewees expressed different degrees of satisfaction with the health information received, depending on its understandability and the amount of detail provided. The persons interviewed reported that they would like to receive all the information possible on their health-illness-care process and would prefer this information to come mainly from physicians. Information about the health-illness-care process should center on practical issues. Physicians are the first and principal source of medical information and consequently communication skills should be promoted in this collective through training courses. Additionally, alternative sources of information used by citizens should be strengthened to provide high-quality health information. Copyright © 2008 Sociedad Española de Calidad Asistencial. Published by Elsevier Espana. All rights reserved.

Chemical structures and characteristics of animal manures and composts during composting and assessment of maturity indices

PubMed Central

Huang, Jieying; Yu, Zixuan; Gao, Hongjian; Yan, Xiaoming; Chang, Jiang; Wang, Chengming; Hu, Jingwei

2017-01-01

Changes in physicochemical characteristics, chemical structures and maturity of swine, cattle and chicken manures and composts during 70-day composting without addition of bulking agents were investigated. Physicochemical characteristics were measured by routine analyses and chemical structures by solid-state 13C NMR and FT-IR. Three manures were of distinct properties. Their changes in physicochemical characteristics, chemical structures, and maturity were different not only from each other but also from those with addition of bulking agents during composting. Aromaticity in chicken manure composts decreased at first, and then increased whereas that in cattle and swine manure composts increased. Enhanced ammonia volatilization occurred without addition of bulking agents. NMR structural information indicated that cattle and chicken composts were relatively stable at day 36 and 56, respectively, but swine manure composts were not mature up to day 70. Finally, the days required for three manures to reach the threshold values of different maturity indices were different. PMID:28604783

Promoting a structural view of biology for varied audiences: an overview of RCSB PDB resources and experiences.

PubMed

Dutta, Shuchismita; Zardecki, Christine; Goodsell, David S; Berman, Helen M

2010-10-01

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) supports scientific research and education worldwide by providing an essential resource of information on biomolecular structures. In addition to serving as a deposition, data-processing and distribution center for PDB data, the RCSB PDB offers resources and online materials that different audiences can use to customize their structural biology instruction. These include resources for general audiences that present macromolecular structure in the context of a biological theme, method-based materials for researchers who take a more traditional approach to the presentation of structural science, and materials that mix theme-based and method-based approaches for educators and students. Through these efforts the RCSB PDB aims to enable optimal use of structural data by researchers, educators and students designing and understanding experiments in biology, chemistry and medicine, and by general users making informed decisions about their life and health.

On vital aid: the why, what and how of validation

PubMed Central

Kleywegt, Gerard J.

2009-01-01

Limitations to the data and subjectivity in the structure-determination process may cause errors in macromolecular crystal structures. Appropriate validation techniques may be used to reveal problems in structures, ideally before they are analysed, published or deposited. Additionally, such tech­niques may be used a posteriori to assess the (relative) merits of a model by potential users. Weak validation methods and statistics assess how well a model reproduces the information that was used in its construction (i.e. experimental data and prior knowledge). Strong methods and statistics, on the other hand, test how well a model predicts data or information that were not used in the structure-determination process. These may be data that were excluded from the process on purpose, general knowledge about macromolecular structure, information about the biological role and biochemical activity of the molecule under study or its mutants or complexes and predictions that are based on the model and that can be tested experimentally. PMID:19171968

Activities of information retrieval in Daicel Corporation : The roles and efforts of information retrieval team

NASA Astrophysics Data System (ADS)

Yamazaki, Towako

In order to stabilize and improve quality of information retrieval service, the information retrieval team of Daicel Corporation has given some efforts on standard operating procedures, interview sheet for information retrieval, structured format for search report, and search expressions for some technological fields of Daicel. These activities and efforts will also lead to skill sharing and skill tradition between searchers. In addition, skill improvements are needed not only for a searcher individually, but also for the information retrieval team totally when playing searcher's new roles.

The helpfulness of category labels in semi-supervised learning depends on category structure.

PubMed

Vong, Wai Keen; Navarro, Daniel J; Perfors, Amy

2016-02-01

The study of semi-supervised category learning has generally focused on how additional unlabeled information with given labeled information might benefit category learning. The literature is also somewhat contradictory, sometimes appearing to show a benefit to unlabeled information and sometimes not. In this paper, we frame the problem differently, focusing on when labels might be helpful to a learner who has access to lots of unlabeled information. Using an unconstrained free-sorting categorization experiment, we show that labels are useful to participants only when the category structure is ambiguous and that people's responses are driven by the specific set of labels they see. We present an extension of Anderson's Rational Model of Categorization that captures this effect.

Intelligent Multi-Media Presentation Using Rhetorical Structure Theory

DTIC Science & Technology

2015-01-01

information repeatedly, on demand, and without imposing an additional manning burden. Virtual Advisers can be delivered in several ways: as a...up text which identifies what content is to be said in addition to how that content is to be emotionally expressed. </say> <say> Using real-time...development of new rendering engines. These toolkits provide additional common underlying functionality such as: pluggable audio (via OpenAL4/JOAL5

Card sorting to evaluate the robustness of the information architecture of a protocol website.

PubMed

Wentzel, J; Müller, F; Beerlage-de Jong, N; van Gemert-Pijnen, J

2016-02-01

A website on Methicillin-Resistant Staphylococcus Aureus, MRSA-net, was developed for Health Care Workers (HCWs) and the general public, in German and in Dutch. The website's content was based on existing protocols and its structure was based on a card sort study. A Human Centered Design approach was applied to ensure a match between user and technology. In the current study we assess whether the website's structure still matches user needs, again via a card sort study. An open card sort study was conducted. Randomly drawn samples of 100 on-site search queries as they were entered on the MRSA-net website (during one year of use) were used as card input. In individual sessions, the cards were sorted by each participant (18 German and 10 Dutch HCWs, and 10 German and 10 Dutch members of the general public) into piles that were meaningful to them. Each participant provided a label for every pile of cards they created. Cluster analysis was performed on the resulting sorts, creating an overview of clusters of items placed together in one pile most frequently. In addition, pile labels were qualitatively analyzed to identify the participants' mental models. Cluster analysis confirmed existing categories and revealed new themes emerging from the search query samples, such as financial issues and consequences for the patient. Even though MRSA-net addresses these topics, they are not prominently covered in the menu structure. The label analysis shows that 7 of a total of 44 MRSA-net categories were not reproduced by the participants. Additional themes such as information on other pathogens and categories such as legal issues emerged. This study shows that the card sort performed to create MRSA-net resulted in overall long-lasting structure and categories. New categories were identified, indicating that additional information needs emerged. Therefore, evaluating website structure should be a recurrent activity. Card sorting with ecological data as input for the cards is useful to identify changes in needs and mental models. By combining qualitative and quantitative analysis we gained insight into additional information needed by the target group, including their view on the domain and related themes. The results show differences between the four user groups in their sorts, which can mostly be explained by the groups' background. These findings confirm that HCD is a valuable approach to tailor information to the target group. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Effects of structured versus non-structured learning on achievement and attitudes of fifth graders in a public aquarium

NASA Astrophysics Data System (ADS)

Kafka, Merryl Audrey

The investigator analyzed the main effect of a structured-learning experience in an informal setting, as well as interactions between the students' learning-style variations toward the element of structure and the imposed instructional conditions. The subjects consisted of 170 students enrolled in two public schools located in Brooklyn, New York. The students were predominantly a White multi-ethnic population consisting of 118 Caucasians, 25 Hispanics, 24 Asians, and 3 African-Americans. Three randomly assigned classes (n = 81) were provided trip sheets, which directed students on how to learn new information with written questions and directives. Three randomly assigned non-structured classes (n = 89) experienced the same exhibit in a free-form manner. Science-based criterion-referenced pre- and posttests were administered, in addition to Learning Style Inventories (Dunn, Dunn, & Price, 1996) and a modified Semantic Differential Scale (Pizzo, 1981), which was used to measure attitudinal levels. The non-structured group had access to similar content information in the form of exhibit graphics, but apparently they chose not to read it as carefully or engage in the information-seeking process as intensely as the students equipped with trip sheets. Analysis of covariance (ANCOVA) indicated that a structured-learning experience produced significantly higher science-achievement test scores than in a non-structured-learning experience (p = .0001). In addition, there was no single learning-style variation (preference, aversion, or no preference) to structure that produced significantly higher gains than another. Furthermore, attitudinal scores were not significantly different between structured and non-structured groups, as well as among homogeneous subsets of students with learning-style variations that matched, mismatched, or indicated no-preferenced positions on the element of structure. Hence, a moderate amount of structure resulted in academic gains without diminishing attitudinal scores. The fact that students' learning-style variations for sociological, design, and perceptual preferences were simultaneously accommodated in this setting may have contributed to the overall positive effects of this structure-based intervention. The diversified teaching resources of the exhibit and the sense of self-empowerment in a student-directed environment may have elevated students' attitudes regardless of their learning-style need for structure. The students' acceptance of a trip sheet that promoted the understanding of science concepts may have contributed to academic success.

Carbonate Biogenic Structures in Storrs Lake, Bahamas

NASA Technical Reports Server (NTRS)

Byrne, Monica; Morris, Penny A.; Wentworth, Susan J.; Brigmon, Robin L.; McKay, David S.

2001-01-01

Storr's Lake, an inland hypersaline lake on San Salvador Island, Bahamas, contains calcium carbonate-rich lithified mats of filamentous microorganisms, diatoms, associated photosynthetic and chemotrophic bacteria, and trapped sediment. In addition, 16S rRNA analysis indicates the presence of five sulfur-reducing genera of bacteria. These microbes are potential modern-day analogs to some ancient stromatolitic structures. The goals of this study are to identify unique compositional and biogenic features, possibly correlating some of these with some of the sulfate-reducing bacteria. Additional information is contained in the original extended abstract.

How is quantum information localized in gravity?

NASA Astrophysics Data System (ADS)

Donnelly, William; Giddings, Steven B.

2017-10-01

A notion of localization of information within quantum subsystems plays a key role in describing the physics of quantum systems, and in particular is a prerequisite for discussing important concepts such as entanglement and information transfer. While subsystems can be readily defined for finite quantum systems and in local quantum field theory, a corresponding definition for gravitational systems is significantly complicated by the apparent nonlocality arising due to gauge invariance, enforced by the constraints. A related question is whether "soft hair" encodes otherwise localized information, and the question of such localization also remains an important puzzle for proposals that gravity emerges from another structure such as a boundary field theory as in AdS/CFT. This paper describes different approaches to defining local subsystem structure, and shows that at least classically, perturbative gravity has localized subsystems based on a split structure, generalizing the split property of quantum field theory. This, and related arguments for QED, give simple explanations that in these theories there is localized information that is independent of fields outside a region, in particular so that there is no role for "soft hair" in encoding such information. Additional subtleties appear in quantum gravity. We argue that localized information exists in perturbative quantum gravity in the presence of global symmetries, but that nonperturbative dynamics is likely tied to a modification of such structure.

OpenTrials: towards a collaborative open database of all available information on all clinical trials.

PubMed

Goldacre, Ben; Gray, Jonathan

2016-04-08

OpenTrials is a collaborative and open database for all available structured data and documents on all clinical trials, threaded together by individual trial. With a versatile and expandable data schema, it is initially designed to host and match the following documents and data for each trial: registry entries; links, abstracts, or texts of academic journal papers; portions of regulatory documents describing individual trials; structured data on methods and results extracted by systematic reviewers or other researchers; clinical study reports; and additional documents such as blank consent forms, blank case report forms, and protocols. The intention is to create an open, freely re-usable index of all such information and to increase discoverability, facilitate research, identify inconsistent data, enable audits on the availability and completeness of this information, support advocacy for better data and drive up standards around open data in evidence-based medicine. The project has phase I funding. This will allow us to create a practical data schema and populate the database initially through web-scraping, basic record linkage techniques, crowd-sourced curation around selected drug areas, and import of existing sources of structured and documents. It will also allow us to create user-friendly web interfaces onto the data and conduct user engagement workshops to optimise the database and interface designs. Where other projects have set out to manually and perfectly curate a narrow range of information on a smaller number of trials, we aim to use a broader range of techniques and attempt to match a very large quantity of information on all trials. We are currently seeking feedback and additional sources of structured data.

Higher-Order Factor Structure of the Differential Ability Scales-II: Consistency across Ages 4 to 17

ERIC Educational Resources Information Center

Keith, Timothy Z.; Low, Justin A.; Reynolds, Matthew R.; Patel, Puja G.; Ridley, Kristen P.

2010-01-01

The recently published second edition of the Differential Abilities Scale (DAS-II) is designed to measure multiple broad and general abilities from Cattell-Horn-Carroll (CHC) theory. Although the technical manual presents information supporting the test's structure, additional research is needed to determine the constructs measured by the test and…

Ryff's Six-Factor Model of Psychological Well-Being, a Spanish Exploration

ERIC Educational Resources Information Center

van Dierendonck, Dirk; Diaz, Dario; Rodriguez-Carvajal, Raquel; Blanco, Amalio; Moreno-Jimenez, Bernardo

2008-01-01

This article aims to provide researchers interested in using Ryff's Scales of Psychological Wellbeing with additional information to make an informed decision on the scales and items to use. It builds on the discussion in the literature on the six factor structure of this measure. An alternative shortened version of this wellbeing measure (Van…

Chemical composition and surfactant characteristics of marine foams investigated by means of UV-vis, FTIR and FTNIR spectroscopy.

PubMed

Mecozzi, Mauro; Pietroletti, Marco

2016-11-01

In this study, we collected the ultraviolet-visible (UV-vis), Fourier transform infrared (FTIR) and Fourier transform near-infrared (FTNIR) spectra of marine foams from different sites and foams produced by marine living organisms (i.e. algae and molluscs) to retrieve information about their molecular and structural composition. UV-vis spectra gave information concerning the lipid and pigment contents of foams. FTIR spectroscopy gave a more detailed qualitative information regarding carbohydrates, lipids and proteins in addition with information about the mineral contents of foams. FTNIR spectra confirmed the presence of carbohydrates, lipids and proteins in foams. Then, due to the higher content of structural information of FTIR spectroscopy with respect to FTNIR and UV-vis, we join the FTIR spectra of marine foams to those of humic substance from marine sediments and to the spectra of foams obtained by living organisms. We submitted this resulting FTIR spectral dataset to statistical multivariate methods to investigate specific aspects of foams such as structural similarity among foams and in addition, contributions from the organic matter of living organisms. Cluster analysis (CA) evidenced several cases (i.e. clusters) of marine foams having high structural similarity with foams from vegetal and animal samples and with humic substance extracted from sediments. These results suggested that all the living organisms of the marine environment can give contributions to the chemical composition of foams. Moreover, as CA also evidenced cases of structural differences within foam samples, we applied two-dimensional correlation analysis (2DCORR) to the FTIR spectra of marine foams to investigate the molecular characteristics which caused these structural differences. Asynchronous spectra of two-dimensional correlation analysis showed that the structural heterogeneity among foam samples depended reasonably on the presence and on the qualitative difference of electrostatic (hydrogen bonds) and nonpolar (van der Waals and π-π) interactions involving carbohydrate proteins and lipids present. The presence and relevance of these interactions agree with the supramolecular and surfactant characteristics of marine organic matter described in the scientific literature.

Compliance & operating rules : results of a focus group

DOT National Transportation Integrated Search

1997-05-01

This interim report presents the results ofa focus group session onrailroad : operating rules and compliance. In addition, it summarizes information gathered from : structured interviews with various railroad managers, government officials, and other...

CARTAM. The Cartesian Access Method for Data Structures with n-dimensional Keys.

DTIC Science & Technology

1979-01-01

become apparent later, I have chosen to store structural information in an explicit binary tree , with modifications. instead of the left and right links of...the usual binary tree , I use the child and twin pointers of a ring structure or circular list. This ring structure as illustrated in figure 3-1* also...Since the file is being stored as an explicit binary tree , note that additional records are being generated, and the concept of an Ni-thm record for

The vector structure of active magnetic fields

NASA Technical Reports Server (NTRS)

Parker, E. N.

1985-01-01

Observations are needed to show the form of the strains introduced into the fields above the surface of the Sun. The longitudinal component alone does not provide the basic information, so that it has been necessary in the past to use the filamentary structure observed in H sub alpha to supplement the longitudinal information. Vector measurements provide the additional essential information to determine the strains, with the filamentary structure available as a check for consistency. It is to be expected, then, that vector measurements will permit a direct mapping of the strains imposed on the magnetic fields of active regions. It will be interesting to study the relation of those strains to the emergence of magnetic flux, flares, eruptive prominences, etc. In particular we may hope to study the relaxation of the strains via the dynamical nonequilibrium.

Experiences in extraction of contact parameters from process-evaluation test-structures

NASA Technical Reports Server (NTRS)

Lieneweg, Udo

1988-01-01

Six-terminal-contact test structures are introduced for characterizing ohmic contacts between a metal and a heavily doped semiconductor layer. Specifically, the six-terminal test structure supplies the additional information needed in order to calculate the transmission length and eventual corrections to the characteristic resistance per unit width due to finite contact length. The essential feature of this test structure is a square contact with four taps in the lower (semiconductor) layer. Every other one of these taps is used for current injection ('front'). From the voltage drop at the opposite tap and the side taps, the 'end' resistance and the 'side' resistances are calculated. The test structures are shown to give valuable information complementary to the common front resistance measurements. The interfacial resistivity is obtained directly after proper correction for flange effects.

Bacterial biomarkers thermally released from dissolved organic matter

USGS Publications Warehouse

Greenwood, P.F.; Leenheer, J.A.; McIntyre, C.; Berwick, L.; Franzmann, P.D.

2006-01-01

Hopane biomarker products were detected using microscale sealed vessel (MSSV) pyrolysis gas chromatography-mass spectrometry (GC-MS) analysis of dissolved organic matter from natural aquatic systems colonised by bacterial populations. MSSV pyrolysis can reduce the polyhydroxylated alkyl side chain of bacteriohopanepolyols, yielding saturated hopane products which are more amenable to GC-MS detection than their functionalised precursors. This example demonstrates how the thermal conditions of MSSV pyrolysis can reduce the biologically-inherited structural functionality of naturally occurring organic matter such that additional structural fragments can be detected using GC methods. This approach complements traditional analytical pyrolysis methods by providing additional speciation information useful for establishing the structures and source inputs of recent or extant organic material. ?? 2006.

Improving information retrieval with multiple health terminologies in a quality-controlled gateway.

PubMed

Soualmia, Lina F; Sakji, Saoussen; Letord, Catherine; Rollin, Laetitia; Massari, Philippe; Darmoni, Stéfan J

2013-01-01

The Catalog and Index of French-language Health Internet resources (CISMeF) is a quality-controlled health gateway, primarily for Web resources in French (n=89,751). Recently, we achieved a major improvement in the structure of the catalogue by setting-up multiple terminologies, based on twelve health terminologies available in French, to overcome the potential weakness of the MeSH thesaurus, which is the main and pivotal terminology we use for indexing and retrieval since 1995. The main aim of this study was to estimate the added-value of exploiting several terminologies and their semantic relationships to improve Web resource indexing and retrieval in CISMeF, in order to provide additional health resources which meet the users' expectations. Twelve terminologies were integrated into the CISMeF information system to set up multiple-terminologies indexing and retrieval. The same sets of thirty queries were run: (i) by exploiting the hierarchical structure of the MeSH, and (ii) by exploiting the additional twelve terminologies and their semantic links. The two search modes were evaluated and compared. The overall coverage of the multiple-terminologies search mode was improved by comparison to the coverage of using the MeSH (16,283 vs. 14,159) (+15%). These additional findings were estimated at 56.6% relevant results, 24.7% intermediate results and 18.7% irrelevant. The multiple-terminologies approach improved information retrieval. These results suggest that integrating additional health terminologies was able to improve recall. Since performing the study, 21 other terminologies have been added which should enable us to make broader studies in multiple-terminologies information retrieval.

Integrated System of Structural Health Monitoring and Intelligent Management for a Cable-Stayed Bridge

PubMed Central

Chen, Bin; Wang, Xu; Sun, Dezhang; Xie, Xu

2014-01-01

It is essential to construct structural health monitoring systems for large important bridges. Zhijiang Bridge is a cable-stayed bridge that was built recently over the Hangzhou Qiantang River (the largest river in Zhejiang Province). The length of Zhijiang Bridge is 478 m, which comprises an arched twin-tower space and a twin-cable plane structure. As an example, the present study describes the integrated system of structural health monitoring and intelligent management for Zhijiang Bridge, which comprises an information acquisition system, data management system, evaluation and decision-making system, and application service system. The monitoring components include the working environment of the bridge and various factors that affect bridge safety, such as the stress and strain of the main bridge structure, vibration, cable force, temperature, and wind speed. In addition, the integrated system includes a forecasting and decision-making module for real-time online evaluation, which provides warnings and makes decisions based on the monitoring information. From this, the monitoring information, evaluation results, maintenance decisions, and warning information can be input simultaneously into the bridge monitoring center and traffic emergency center to share the monitoring data, thereby facilitating evaluations and decision making using the system. PMID:25140342

Integrated system of structural health monitoring and intelligent management for a cable-stayed bridge.

PubMed

Chen, Bin; Wang, Xu; Sun, Dezhang; Xie, Xu

2014-01-01

It is essential to construct structural health monitoring systems for large important bridges. Zhijiang Bridge is a cable-stayed bridge that was built recently over the Hangzhou Qiantang River (the largest river in Zhejiang Province). The length of Zhijiang Bridge is 478 m, which comprises an arched twin-tower space and a twin-cable plane structure. As an example, the present study describes the integrated system of structural health monitoring and intelligent management for Zhijiang Bridge, which comprises an information acquisition system, data management system, evaluation and decision-making system, and application service system. The monitoring components include the working environment of the bridge and various factors that affect bridge safety, such as the stress and strain of the main bridge structure, vibration, cable force, temperature, and wind speed. In addition, the integrated system includes a forecasting and decision-making module for real-time online evaluation, which provides warnings and makes decisions based on the monitoring information. From this, the monitoring information, evaluation results, maintenance decisions, and warning information can be input simultaneously into the bridge monitoring center and traffic emergency center to share the monitoring data, thereby facilitating evaluations and decision making using the system.

Structural Studies of Fucosylated N-Glycans by Ion Mobility Mass Spectrometry and Collision-Induced Fragmentation of Negative Ions

NASA Astrophysics Data System (ADS)

Harvey, David J.; Struwe, Weston B.

2018-05-01

There is considerable potential for the use of ion mobility mass spectrometry in structural glycobiology due in large part to the gas-phase separation attributes not typically observed by orthogonal methods. Here, we evaluate the capability of traveling wave ion mobility combined with negative ion collision-induced dissociation to provide structural information on N-linked glycans containing multiple fucose residues forming the Lewisx and Lewisy epitopes. These epitopes are involved in processes such as cell-cell recognition and are important as cancer biomarkers. Specific information that could be obtained from the intact N-glycans by negative ion CID included the general topology of the glycan such as the presence or absence of a bisecting GlcNAc residue and the branching pattern of the triantennary glycans. Information on the location of the fucose residues was also readily obtainable from ions specific to each antenna. Some isobaric fragment ions produced prior to ion mobility could subsequently be separated and, in some cases, provided additional valuable structural information that was missing from the CID spectra alone.

Accurate facade feature extraction method for buildings from three-dimensional point cloud data considering structural information

NASA Astrophysics Data System (ADS)

Wang, Yongzhi; Ma, Yuqing; Zhu, A.-xing; Zhao, Hui; Liao, Lixia

2018-05-01

Facade features represent segmentations of building surfaces and can serve as a building framework. Extracting facade features from three-dimensional (3D) point cloud data (3D PCD) is an efficient method for 3D building modeling. By combining the advantages of 3D PCD and two-dimensional optical images, this study describes the creation of a highly accurate building facade feature extraction method from 3D PCD with a focus on structural information. The new extraction method involves three major steps: image feature extraction, exploration of the mapping method between the image features and 3D PCD, and optimization of the initial 3D PCD facade features considering structural information. Results show that the new method can extract the 3D PCD facade features of buildings more accurately and continuously. The new method is validated using a case study. In addition, the effectiveness of the new method is demonstrated by comparing it with the range image-extraction method and the optical image-extraction method in the absence of structural information. The 3D PCD facade features extracted by the new method can be applied in many fields, such as 3D building modeling and building information modeling.

Nonlinear Optical Properties of Carotenoid and Chlorophyll Harmonophores

NASA Astrophysics Data System (ADS)

Tokarz, Danielle Barbara

Information regarding the structure and function of living tissues and cells is instrumental to the advancement of cell biology and biophysics. Nonlinear optical microscopy can provide such information, but only certain biological structures generate nonlinear optical signals. Therefore, structural specificity can be achieved by introducing labels for nonlinear optical microscopy. Few studies exist in the literature about labels that facilitate harmonic generation, coined "harmonophores". This thesis consists of the first major investigation of harmonophores for third harmonic generation (THG) microscopy. Carotenoids and chlorophylls were investigated as potential harmonophores. Their nonlinear optical properties were studied by the THG ratio technique. In addition, a tunable refractometer was built in order to determine their second hyperpolarizability (gamma). At 830 nm excitation wavelength, carotenoids and chlorophylls were found to have large negative gamma values however, at 1028 nm, the sign of gamma reversed for carotenoids and remained negative for chlorophylls. Consequently, at 1028 nm wavelength, THG signal is canceled with mixtures of carotenoids and chlorophylls. Furthermore, when such molecules are covalently bonded as dyads or interact within photosynthetic pigment-protein complexes, it is found that additive effects with the gamma values still play a role, however, the overall gamma value is also influenced by the intra-pigment and inter-pigment interaction. The nonlinear optical properties of aggregates containing chlorophylls and carotenoids were the target of subsequent investigations. Carotenoid aggregates were imaged with polarization-dependent second harmonic generation and THG microscopy. Both techniques revealed crystallographic information pertaining to H and J aggregates and beta-carotene crystalline aggregates found in orange carrot. In order to demonstrate THG enhancement due to labeling, cultured cells were labeled with carotenoid incorporated liposomes. In addition, Drosophila melanogaster larvae muscle as well as keratin structures in the hair cortex were labeled with beta-carotene. Polarization-dependent THG studies may be particularly useful in understanding the structural organization that occurs within biological structures containing carotenoids and chlorophylls such as photosynthetic pigment-protein complexes and carotenoid aggregates in plants and alga. Further, artificial labeling with carotenoids and chlorophylls may be useful in clinical applications since they are nontoxic, nutritionally valuable, and they can aid in visualizing structural changes in cellular components.

User recommendation in healthcare social media by assessing user similarity in heterogeneous network.

PubMed

Jiang, Ling; Yang, Christopher C

2017-09-01

The rapid growth of online health social websites has captured a vast amount of healthcare information and made the information easy to access for health consumers. E-patients often use these social websites for informational and emotional support. However, health consumers could be easily overwhelmed by the overloaded information. Healthcare information searching can be very difficult for consumers, not to mention most of them are not skilled information searcher. In this work, we investigate the approaches for measuring user similarity in online health social websites. By recommending similar users to consumers, we can help them to seek informational and emotional support in a more efficient way. We propose to represent the healthcare social media data as a heterogeneous healthcare information network and introduce the local and global structural approaches for measuring user similarity in a heterogeneous network. We compare the proposed structural approaches with the content-based approach. Experiments were conducted on a dataset collected from a popular online health social website, and the results showed that content-based approach performed better for inactive users, while structural approaches performed better for active users. Moreover, global structural approach outperformed local structural approach for all user groups. In addition, we conducted experiments on local and global structural approaches using different weight schemas for the edges in the network. Leverage performed the best for both local and global approaches. Finally, we integrated different approaches and demonstrated that hybrid method yielded better performance than the individual approach. The results indicate that content-based methods can effectively capture the similarity of inactive users who usually have focused interests, while structural methods can achieve better performance when rich structural information is available. Local structural approach only considers direct connections between nodes in the network, while global structural approach takes the indirect connections into account. Therefore, the global similarity approach can deal with sparse networks and capture the implicit similarity between two users. Different approaches may capture different aspects of the similarity relationship between two users. When we combine different methods together, we could achieve a better performance than using each individual method. Copyright © 2017 Elsevier B.V. All rights reserved.

Hypernated supercritical fluid chromatography: potential application for car lubricant analysis.

PubMed

Lavison-Bompard, Gwenaelle; Bertoncini, Fabrice; Thiébaut, Didier; Beziau, Jean-François; Carrazé, Bernadette; Valette, Pascale; Duteurtre, Xavier

2012-12-28

Car lubricant additives are added to mineral or synthetic base stocks to improve viscosity and resistance to oxidation of the lubricant and to limit wear of engines. In previous papers related to this purpose, it was demonstrated that SFC allows the elution of common low molecular weight additives. Since their total resolution could not be achieved owing to the limited peak capacity of packed columns, the hyphenation of selective and informative detectors, atomic emission and mass spectrometry, were also carried out for identification. This paper describes the final implementation of a packed column SFC/FID-UV-AED-FTIR-MS system to contribute to the characterisation of both the base stock, mineral or semi-synthetic, and the low molecular weight additives. SFC/FID-UV-FTIR ensures the easy confirmation of the presence of esters in the base stock. Reference additives are used to demonstrate the performances of the multi hyphenated system prior to its implementation for their identification in packages and in formulated lubricants. Identification and partial structure elucidation of additives and families of additives in package and formulated car lubricants are presented: using combined information obtained from AED traces and FTIR chemigrams, chemical families of additives can be deduced. Then, the mass spectra can be interpreted in the elution zone of interest in order to go further in the determination of the additive molecular structure. The hypernated SFC system was also employed to follow the ageing of car lubricants. Copyright © 2012 Elsevier B.V. All rights reserved.

Reconstruction from limited single-particle diffraction data via simultaneous determination of state, orientation, intensity, and phase

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

Donatelli, Jeffrey J.; Sethian, James A.; Zwart, Peter H.

Free-electron lasers now have the ability to collect X-ray diffraction patterns from individual molecules; however, each sample is delivered at unknown orientation and may be in one of several conformational states, each with a different molecular structure. Hit rates are often low, typically around 0.1%, limiting the number of useful images that can be collected. Determining accurate structural information requires classifying and orienting each image, accurately assembling them into a 3D diffraction intensity function, and determining missing phase information. Additionally, single particles typically scatter very few photons, leading to high image noise levels. We develop a multitiered iterative phasing algorithmmore » to reconstruct structural information from singleparticle diffraction data by simultaneously determining the states, orientations, intensities, phases, and underlying structure in a single iterative procedure. We leverage real-space constraints on the structure to help guide optimization and reconstruct underlying structure from very few images with excellent global convergence properties. We show that this approach can determine structural resolution beyond what is suggested by standard Shannon sampling arguments for ideal images and is also robust to noise.« less

Reconstruction from limited single-particle diffraction data via simultaneous determination of state, orientation, intensity, and phase

DOE PAGES

Donatelli, Jeffrey J.; Sethian, James A.; Zwart, Peter H.

2017-06-26

Free-electron lasers now have the ability to collect X-ray diffraction patterns from individual molecules; however, each sample is delivered at unknown orientation and may be in one of several conformational states, each with a different molecular structure. Hit rates are often low, typically around 0.1%, limiting the number of useful images that can be collected. Determining accurate structural information requires classifying and orienting each image, accurately assembling them into a 3D diffraction intensity function, and determining missing phase information. Additionally, single particles typically scatter very few photons, leading to high image noise levels. We develop a multitiered iterative phasing algorithmmore » to reconstruct structural information from singleparticle diffraction data by simultaneously determining the states, orientations, intensities, phases, and underlying structure in a single iterative procedure. We leverage real-space constraints on the structure to help guide optimization and reconstruct underlying structure from very few images with excellent global convergence properties. We show that this approach can determine structural resolution beyond what is suggested by standard Shannon sampling arguments for ideal images and is also robust to noise.« less

UNICOS Kernel Internals Application Development

NASA Technical Reports Server (NTRS)

Caredo, Nicholas; Craw, James M. (Technical Monitor)

1995-01-01

Having an understanding of UNICOS Kernel Internals is valuable information. However, having the knowledge is only half the value. The second half comes with knowing how to use this information and apply it to the development of tools. The kernel contains vast amounts of useful information that can be utilized. This paper discusses the intricacies of developing utilities that utilize kernel information. In addition, algorithms, logic, and code will be discussed for accessing kernel information. Code segments will be provided that demonstrate how to locate and read kernel structures. Types of applications that can utilize kernel information will also be discussed.

Effects of a Structured Resource-Based Web Issue-Quest Approach on Students' Learning Performances in Computer Programming Courses

ERIC Educational Resources Information Center

Hsu, Ting-Chia; Hwang, Gwo-Jen

2017-01-01

Programming concepts are important and challenging to novices who are beginning to study computer programming skills. In addition to the textbook content, students usually learn the concepts of programming from the web; however, it could be difficult for novice learners to effectively derive helpful information from such non-structured open…

Genetic diversity and population structure of the Ethiopian sorghum [Sorghum bicolor (L.) Moench] germplasm collection maintained by the USDA-ARS, National Plant Germplasm System using SSR markers

USDA-ARS?s Scientific Manuscript database

The genetic diversity and population structure present in the Ethiopia sorghum collection maintained by the USDA-ARS, National Plant Germplasm System (USDA-ARS-NPGS) is unknown. In addition, passport information is absent for 83% of these accessions which limit its evaluation and utility. Therefor...

Who Does Critical Pedagogy Think You Are? Investigating How Teachers Are Produced in Critical Pedagogy Scholarship to Inform Teacher Education

ERIC Educational Resources Information Center

Pittard, Elizabeth

2015-01-01

In this post-structural feminist analysis, I review recent literature focusing on critical pedagogy to analyse the ways teachers are discursively produced within the sampled literature to ask: who does critical pedagogy think you are? Additionally, I extend earlier post-structural feminist critiques of critical pedagogy and underlying assumptions…

Dynamic search and working memory in social recall.

PubMed

Hills, Thomas T; Pachur, Thorsten

2012-01-01

What are the mechanisms underlying search in social memory (e.g., remembering the people one knows)? Do the search mechanisms involve dynamic local-to-global transitions similar to semantic search, and are these transitions governed by the general control of attention, associated with working memory span? To find out, we asked participants to recall individuals from their personal social networks and measured each participant's working memory capacity. Additionally, participants provided social-category and contact-frequency information about the recalled individuals as well as information about the social proximity among the recalled individuals. On the basis of these data, we tested various computational models of memory search regarding their ability to account for the patterns in which participants recalled from social memory. Although recall patterns showed clustering based on social categories, models assuming dynamic transitions between representations cued by social proximity and frequency information predicted participants' recall patterns best-no additional explanatory power was gained from social-category information. Moreover, individual differences in the time between transitions were positively correlated with differences in working memory capacity. These results highlight the role of social proximity in structuring social memory and elucidate the role of working memory for maintaining search criteria during search within that structure.

Development of pair distribution function analysis

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

Vondreele, R.; Billinge, S.; Kwei, G.

1996-09-01

This is the final report of a 3-year LDRD project at LANL. It has become more and more evident that structural coherence in the CuO{sub 2} planes of high-{Tc} superconducting materials over some intermediate length scale (nm range) is important to superconductivity. In recent years, the pair distribution function (PDF) analysis of powder diffraction data has been developed for extracting structural information on these length scales. This project sought to expand and develop this technique, use it to analyze neutron powder diffraction data, and apply it to problems. In particular, interest is in the area of high-{Tc} superconductors, although wemore » planned to extend the study to the closely related perovskite ferroelectric materials andother materials where the local structure affects the properties where detailed knowledge of the local and intermediate range structure is important. In addition, we planned to carry out single crystal experiments to look for diffuse scattering. This information augments the information from the PDF.« less

POOL server: machine learning application for functional site prediction in proteins.

PubMed

Somarowthu, Srinivas; Ondrechen, Mary Jo

2012-08-01

We present an automated web server for partial order optimum likelihood (POOL), a machine learning application that combines computed electrostatic and geometric information for high-performance prediction of catalytic residues from 3D structures. Input features consist of THEMATICS electrostatics data and pocket information from ConCavity. THEMATICS measures deviation from typical, sigmoidal titration behavior to identify functionally important residues and ConCavity identifies binding pockets by analyzing the surface geometry of protein structures. Both THEMATICS and ConCavity (structure only) do not require the query protein to have any sequence or structure similarity to other proteins. Hence, POOL is applicable to proteins with novel folds and engineered proteins. As an additional option for cases where sequence homologues are available, users can include evolutionary information from INTREPID for enhanced accuracy in site prediction. The web site is free and open to all users with no login requirements at http://www.pool.neu.edu. m.ondrechen@neu.edu Supplementary data are available at Bioinformatics online.

Image processing of metal surface with structured light

NASA Astrophysics Data System (ADS)

Luo, Cong; Feng, Chang; Wang, Congzheng

2014-09-01

In structured light vision measurement system, the ideal image of structured light strip, in addition to black background , contains only the gray information of the position of the stripe. However, the actual image contains image noise, complex background and so on, which does not belong to the stripe, and it will cause interference to useful information. To extract the stripe center of mental surface accurately, a new processing method was presented. Through adaptive median filtering, the noise can be preliminary removed, and the noise which introduced by CCD camera and measured environment can be further removed with difference image method. To highlight fine details and enhance the blurred regions between the stripe and noise, the sharping algorithm is used which combine the best features of Laplacian operator and Sobel operator. Morphological opening operation and closing operation are used to compensate the loss of information.Experimental results show that this method is effective in the image processing, not only to restrain the information but also heighten contrast. It is beneficial for the following processing.

Newly Enacted Intent Changes to ADS-B MASPS: Emphasis on Operations, Compatibility, and Integrity

NASA Technical Reports Server (NTRS)

Barhydt, Richard; Warren, Anthony W.

2002-01-01

Significant changes to the intent reporting structure in the Minimum Aviation System Performance Standards (MASPS) for Automatic Dependent Surveillance Broadcast (ADS-B) have recently been approved by RTCA Special Committee 186. The re-structured intent formats incorporate two major changes to the current MASPS (DO-242): addition of a Target State (TS) report that provides information on the horizontal and vertical targets for the current flight segment and replacement of the current Trajectory Change Point (TCP) and TCP+1 reports with Trajectory Change (TC) reports. TC reports include expanded information about TCPs and their connecting flight segments, in addition to making provisions for trajectory conformance elements. New intent elements are designed to accommodate a greater range of intent information, better reflect operational use and capabilities of existing and future aircraft avionics, and aid trajectory synthesis and conformance monitoring systems. These elements are expected to benefit near-term and future Air Traffic Management (ATM) applications, including separation assurance, local traffic flow management, and conformance monitoring. The current MASPS revision (DO-242A) implements those intent elements that are supported by current avionics standards and data buses. Additional elements are provisioned for inclusion in future MASPS revisions (beyond DO-242A) as avionics systems are evolved.

Progress in the Modeling of NiAl-Based Alloys Using the BFS Method

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Ferrante, John; Garg, Anita

1997-01-01

The BFS method has been applied to the study of NiAl-based materials to assess the effect of alloying additions on structure. Ternary, quaternary and even pent-alloys based on Ni-rich NiAl with additions of Ti, Cr and Cu were studied. Two approaches were used, Monte Carlo simulations to determine ground state structures and analytical calculations of high symmetry configurations which give physical insight into preferred bonding. Site occupancy energetics for ternary and the more complicated case of quaternary additions were determined, and solubility limits and precipitate formation with corresponding information concerning structure and lattice parameter were also 'observed' computationally. The method was also applied to determine the composition of alloy surfaces and interfaces. Overall, the results demonstrate that the BFS method for alloys is a powerful tool for alloy design and with its simplicity and obvious advantages can be used to complement any experimental alloy design program.

Vibroacoustic Characterization of Corrugated-Core and Honeycomb-Core Sandwich Panels

NASA Technical Reports Server (NTRS)

Allen, Albert; Schiller, Noah

2016-01-01

The vibroacoustic characteristics of two candidate launch vehicle fairing structures, corrugated- core and honeycomb-core sandwich designs, were studied. The study of these structures has been motivated by recent risk reduction efforts focused on mitigating high noise levels within the payload bays of large launch vehicles during launch. The corrugated-core sandwich concept is of particular interest as a dual purpose structure due to its ability to harbor resonant noise control systems without appreciably adding mass or taking up additional volume. Specifically, modal information, wavelength dispersion, and damping were determined from a series of vibrometer measurements and subsequent analysis procedures carried out on two test panels. Numerical and analytical modeling techniques were also used to assess assumed material properties and to further illuminate underlying structural dynamic aspects. Results from the tests and analyses described herein may serve as a reference for additional vibroacoustic studies involving these or similar structures.

PLANNING QUALITY IN GEOSPATIAL PROJECTS

EPA Science Inventory

This presentation will briefly review some legal drivers and present a structure for the writing of geospatial Quality Assurance Projects Plans. In addition, the Geospatial Quality Council geospatial information life-cycle and sources of error flowchart will be reviewed.

NASTRAN user's guide: Level 15

NASA Technical Reports Server (NTRS)

1975-01-01

The NASTRAN structural analysis system is presented. This user's guide is an essential addition to the original four NASTRAN manuals. Clear, brief descriptions of capabilities with example input are included, with references to the location of more complete information.

Io's Diverse Styles of Volcanic Activity: Results from Galileo NIMS

NASA Technical Reports Server (NTRS)

Lopes, R. M. C.; Smythe, W. D.; Kamp, L. W.; Doute, S.; Carlson, R.; McEwen, A.; Geissler, P.

2001-01-01

Observations by Galileo's Near-Infrared Mapping Spectrometer were used to map the thermal structure of several of Io's hot spots, revealing different styles of volcanism Additional information is contained in the original extended abstract..

Brazil Nuts on Eros: Size-Sorting of Asteroid Regolith

NASA Technical Reports Server (NTRS)

Asphaug, E.; King, P. J.; Swift, M. R.; Merrifield, M. R.

2001-01-01

We consider the hypothesis that frequent cratering produces size- or compositionally-sorted asteroid regolith, affecting the structure, texture, and in extreme cases the shape of asteroids. Additional information is contained in the original extended abstract.

A Delphi study among internal medicine clinicians to determine which therapeutic information is essential to record in a medical record.

PubMed

van Unen, Robert J; Tichelaar, Jelle; Nanayakkara, Prabath W B; van Agtmael, Michiel A; Richir, Milan C; de Vries, Theo P G M

2015-12-01

Several studies have demonstrated that using a template for recording general and diagnostic information in the medical record (MR) improves the completeness of MR documentation, communication between doctors, and performance of doctors. However, little is known about how therapeutic information should be structured in the MR. The aim of this study was to investigate which specific therapeutic information registrars and consultants in internal medicine consider essential to record in the MR. Therefore, we carried out a 2-round Internet Delphi study. Fifty-nine items were assessed on a 5-point scale; an item was considered important if ≥ 80% of the respondents awarded it a score of 4 or 5. In total, 26 registrars and 30 consultants in internal medicine completed both rounds of the study. Overall, they considered it essential to include information about 11 items in the MR. Subgroup analyses revealed that the registrars considered 8 additional items essential, whereas the consultants considered 1 additional item essential to record. Study findings can be used as a starting point to develop a structured section of the MR for therapeutic information for both paper and electronic MRs. This section should contain at least 11 items considered essential by registrars and clinical consultants in internal medicine. © 2015, The American College of Clinical Pharmacology.

Structural fatigue test results for large wind turbine blade sections

NASA Technical Reports Server (NTRS)

Faddoul, J. R.; Sullivan, T. L.

1982-01-01

In order to provide quantitative information on the operating life capabilities of wind turbine rotor blade concepts for root-end load transfer, a series of cantilever beam fatigue tests was conducted. Fatigue tests were conducted on a laminated wood blade with bonded steel studs, a low cost steel spar (utility pole) with a welded flange, a utility pole with additional root-end thickness provided by a swaged collar, fiberglass spars with both bonded and nonbonded fittings, and, finally, an aluminum blade with a bolted steel fitting (Lockheed Mod-0 blade). Photographs, data, and conclusions for each of these tests are presented. In addition, the aluminum blade test results are compared to field failure information; these results provide evidence that the cantilever beam type of fatigue test is a satisfactory method for obtaining qualitative data on blade life expectancy and for identifying structurally underdesigned areas (hot spots).

A simple and accurate method for calculation of the structure factor of interacting charged spheres.

PubMed

Wu, Chu; Chan, Derek Y C; Tabor, Rico F

2014-07-15

Calculation of the structure factor of a system of interacting charged spheres based on the Ginoza solution of the Ornstein-Zernike equation has been developed and implemented on a stand-alone spreadsheet. This facilitates direct interactive numerical and graphical comparisons between experimental structure factors with the pioneering theoretical model of Hayter-Penfold that uses the Hansen-Hayter renormalisation correction. The method is used to fit example experimental structure factors obtained from the small-angle neutron scattering of a well-characterised charged micelle system, demonstrating that this implementation, available in the supplementary information, gives identical results to the Hayter-Penfold-Hansen approach for the structure factor, S(q) and provides direct access to the pair correlation function, g(r). Additionally, the intermediate calculations and outputs can be readily accessed and modified within the familiar spreadsheet environment, along with information on the normalisation procedure. Copyright © 2014 Elsevier Inc. All rights reserved.

Structural change of the frustule of diatom by thermal treatment

NASA Astrophysics Data System (ADS)

Arasuna, Akane; Okuno, Masayuki

2018-12-01

The external skeleton, frustule, of a diatom is composed of hydrous amorphous silica and amino acids. In this study, the structural changes in the frustule of Chaetoceros calcitrans after thermal treatment up to 1200 °C were investigated using X-ray diffraction and attenuated total reflection infrared spectroscopy and Raman spectroscopy. Their structural changes after thermal treatment give important information to elucidate the unheated structure of the frustule and its crystallization process. In addition, this study is almost the first report to discuss the structure of diatom frustule in detail with Raman spectrum. The unheated structure of the frustule has the relatively ordered and dominant six-membered ring structure made of SiO4 tetrahedra. The sample heated at 800 °C has the more ordered six-membered ring structure observed in quartz or cristobalite. Water molecules and silanol (Si-OH) included in the frustule are dehydrated at this temperature. This dehydration may promote the formation of ordered and polymerized structure. The structure of the frustule after heating at 1200 °C is similar to that of low-cristobalite. However, additional heating is required for complete crystallization.

Promoting a structural view of biology for varied audiences: an overview of RCSB PDB resources and experiences

PubMed Central

Dutta, Shuchismita; Zardecki, Christine; Goodsell, David S.; Berman, Helen M.

2010-01-01

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) supports scientific research and education worldwide by providing an essential resource of information on biomolecular structures. In addition to serving as a deposition, data-processing and distribution center for PDB data, the RCSB PDB offers resources and online materials that different audiences can use to customize their structural biology instruction. These include resources for general audiences that present macromolecular structure in the context of a biological theme, method-based materials for researchers who take a more traditional approach to the presentation of structural science, and materials that mix theme-based and method-based approaches for educators and students. Through these efforts the RCSB PDB aims to enable optimal use of structural data by researchers, educators and students designing and understanding experiments in biology, chemistry and medicine, and by general users making informed decisions about their life and health. PMID:20877496

[Construction of chemical information database based on optical structure recognition technique].

PubMed

Lv, C Y; Li, M N; Zhang, L R; Liu, Z M

2018-04-18

To create a protocol that could be used to construct chemical information database from scientific literature quickly and automatically. Scientific literature, patents and technical reports from different chemical disciplines were collected and stored in PDF format as fundamental datasets. Chemical structures were transformed from published documents and images to machine-readable data by using the name conversion technology and optical structure recognition tool CLiDE. In the process of molecular structure information extraction, Markush structures were enumerated into well-defined monomer molecules by means of QueryTools in molecule editor ChemDraw. Document management software EndNote X8 was applied to acquire bibliographical references involving title, author, journal and year of publication. Text mining toolkit ChemDataExtractor was adopted to retrieve information that could be used to populate structured chemical database from figures, tables, and textual paragraphs. After this step, detailed manual revision and annotation were conducted in order to ensure the accuracy and completeness of the data. In addition to the literature data, computing simulation platform Pipeline Pilot 7.5 was utilized to calculate the physical and chemical properties and predict molecular attributes. Furthermore, open database ChEMBL was linked to fetch known bioactivities, such as indications and targets. After information extraction and data expansion, five separate metadata files were generated, including molecular structure data file, molecular information, bibliographical references, predictable attributes and known bioactivities. Canonical simplified molecular input line entry specification as primary key, metadata files were associated through common key nodes including molecular number and PDF number to construct an integrated chemical information database. A reasonable construction protocol of chemical information database was created successfully. A total of 174 research articles and 25 reviews published in Marine Drugs from January 2015 to June 2016 collected as essential data source, and an elementary marine natural product database named PKU-MNPD was built in accordance with this protocol, which contained 3 262 molecules and 19 821 records. This data aggregation protocol is of great help for the chemical information database construction in accuracy, comprehensiveness and efficiency based on original documents. The structured chemical information database can facilitate the access to medical intelligence and accelerate the transformation of scientific research achievements.

A preliminary synthesis of structural, stratigraphic, and magnetic data from part of the northwest Adirondacks, New York

USGS Publications Warehouse

Foose, M.P.; Brown, C. Ervin

1976-01-01

Synthesis of recent work in the NW Adirondacks, New York allows the development of a coherent geologic picture. Mapping of the Precambrian rock units enables the recognition of four major units which are, from bottom to top, 1) Granitic Gneiss (alaskite), 2) Lower Marble, 3) Major Gneiss, and 4) Upper Marble. Additionally, lenses of amphibolite and granite occur as intrusives within this succession. These rock units have been complexly deformed by three major folding episodes, and by two distinctly different styles of faulting. The result has been to produce large northeast-southwest trending dome and basin structures. Patterns of magnetic intensity closely parallel distribution of rock units and provide additional information for a structural and stratigraphic synthesis-.

Particle decay of proton-unbound levels in N 12

DOE PAGES

Chipps, K. A.; Pain, S. D.; Greife, U.; ...

2017-04-24

Transfer reactions are a useful tool for studying nuclear structure, particularly in the regime of low level densities and strong single-particle strengths. Additionally, transfer reactions can populate levels above particle decay thresholds, allowing for the possibility of studying the subsequent decays and furthering our understanding of the nuclei being probed. In particular, the decay of loosely bound nuclei such as 12 N can help inform and improve structure models.The purpose of this paper is to learn about the decay of excited states in 12 N , to more generally inform nuclear structure models, particularly in the case of particle-unbound levelsmore » in low-mass systems which are within the reach of state-of-the-art ab initio calculations.« less

Bayesian inference of uncertainties in precipitation-streamflow modeling in a snow affected catchment

NASA Astrophysics Data System (ADS)

Koskela, J. J.; Croke, B. W. F.; Koivusalo, H.; Jakeman, A. J.; Kokkonen, T.

2012-11-01

Bayesian inference is used to study the effect of precipitation and model structural uncertainty on estimates of model parameters and confidence limits of predictive variables in a conceptual rainfall-runoff model in the snow-fed Rudbäck catchment (142 ha) in southern Finland. The IHACRES model is coupled with a simple degree day model to account for snow accumulation and melt. The posterior probability distribution of the model parameters is sampled by using the Differential Evolution Adaptive Metropolis (DREAM(ZS)) algorithm and the generalized likelihood function. Precipitation uncertainty is taken into account by introducing additional latent variables that were used as multipliers for individual storm events. Results suggest that occasional snow water equivalent (SWE) observations together with daily streamflow observations do not contain enough information to simultaneously identify model parameters, precipitation uncertainty and model structural uncertainty in the Rudbäck catchment. The addition of an autoregressive component to account for model structure error and latent variables having uniform priors to account for input uncertainty lead to dubious posterior distributions of model parameters. Thus our hypothesis that informative priors for latent variables could be replaced by additional SWE data could not be confirmed. The model was found to work adequately in 1-day-ahead simulation mode, but the results were poor in the simulation batch mode. This was caused by the interaction of parameters that were used to describe different sources of uncertainty. The findings may have lessons for other cases where parameterizations are similarly high in relation to available prior information.

Structure-From-Motion in 3D Space Using 2D Lidars

PubMed Central

Choi, Dong-Geol; Bok, Yunsu; Kim, Jun-Sik; Shim, Inwook; Kweon, In So

2017-01-01

This paper presents a novel structure-from-motion methodology using 2D lidars (Light Detection And Ranging). In 3D space, 2D lidars do not provide sufficient information for pose estimation. For this reason, additional sensors have been used along with the lidar measurement. In this paper, we use a sensor system that consists of only 2D lidars, without any additional sensors. We propose a new method of estimating both the 6D pose of the system and the surrounding 3D structures. We compute the pose of the system using line segments of scan data and their corresponding planes. After discarding the outliers, both the pose and the 3D structures are refined via nonlinear optimization. Experiments with both synthetic and real data show the accuracy and robustness of the proposed method. PMID:28165372

Cystic Fibrosis Transmembrane Conductance Regulator (ABCC7) Structure

PubMed Central

Hunt, John F.; Wang, Chi; Ford, Robert C.

2013-01-01

Structural studies of the cystic fibrosis transmembrane conductance regulator (CFTR) are reviewed. Like many membrane proteins, full-length CFTR has proven to be difficult to express and purify, hence much of the structural data available is for the more tractable, independently expressed soluble domains. Therefore, this chapter covers structural data for individual CFTR domains in addition to the sparser data available for the full-length protein. To set the context for these studies, we will start by reviewing structural information on model proteins from the ATP-binding cassette (ABC) transporter superfamily, to which CFTR belongs. PMID:23378596

Information processing in the primate visual system - An integrated systems perspective

NASA Technical Reports Server (NTRS)

Van Essen, David C.; Anderson, Charles H.; Felleman, Daniel J.

1992-01-01

The primate visual system contains dozens of distinct areas in the cerebral cortex and several major subcortical structures. These subdivisions are extensively interconnected in a distributed hierarchical network that contains several intertwined processing streams. A number of strategies are used for efficient information processing within this hierarchy. These include linear and nonlinear filtering, passage through information bottlenecks, and coordinated use of multiple types of information. In addition, dynamic regulation of information flow within and between visual areas may provide the computational flexibility needed for the visual system to perform a broad spectrum of tasks accurately and at high resolution.

Modular Chemical Descriptor Language (MCDL): Stereochemical modules

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

Gakh, Andrei A; Burnett, Michael N; Trepalin, Sergei V.

2011-01-01

In our previous papers we introduced the Modular Chemical Descriptor Language (MCDL) for providing a linear representation of chemical information. A subsequent development was the MCDL Java Chemical Structure Editor which is capable of drawing chemical structures from linear representations and generating MCDL descriptors from structures. In this paper we present MCDL modules and accompanying software that incorporate unique representation of molecular stereochemistry based on Cahn-Ingold-Prelog and Fischer ideas in constructing stereoisomer descriptors. The paper also contains additional discussions regarding canonical representation of stereochemical isomers, and brief algorithm descriptions of the open source LINDES, Java applet, and Open Babel MCDLmore » processing module software packages. Testing of the upgraded MCDL Java Chemical Structure Editor on compounds taken from several large and diverse chemical databases demonstrated satisfactory performance for storage and processing of stereochemical information in MCDL format.« less

Hydrogen Exchange Mass Spectrometry

PubMed Central

Mayne, Leland

2018-01-01

Hydrogen exchange (HX) methods can reveal much about the structure, energetics, and dynamics of proteins. The addition of mass spectrometry (MS) to an earlier fragmentation-separation HX analysis now extends HX studies to larger proteins at high structural resolution and can provide information not available before. This chapter discusses experimental aspects of HX labeling, especially with respect to the use of MS and the analysis of MS data. PMID:26791986

Assessment of molecular diversity and population structure of the Ethiopian sorghum [Sorghum bicolor L. (Moench)] germplasm collection maintained by the USDA-ARS National Plant Germplasm System using SSR markers

USDA-ARS?s Scientific Manuscript database

The genetic diversity and population structure present in the Ethiopian sorghum collection maintained at the USDA-ARS National Plant Germplasm System (NPGS) has not been studied. In addition, 83% of the accessions in the Ethiopian collection lack passport information which has constrained their eval...

Use of Forest Inventory and Analysis information in wildlife habitat modeling: a process for linking multiple scales

Treesearch

Thomas C. Edwards; Gretchen G. Moisen; Tracey S. Frescino; Joshua L. Lawler

2002-01-01

We describe our collective efforts to develop and apply methods for using FIA data to model forest resources and wildlife habitat. Our work demonstrates how flexible regression techniques, such as generalized additive models, can be linked with spatially explicit environmental information for the mapping of forest type and structure. We illustrate how these maps of...

Evaluating bacterial gene-finding HMM structures as probabilistic logic programs.

PubMed

Mørk, Søren; Holmes, Ian

2012-03-01

Probabilistic logic programming offers a powerful way to describe and evaluate structured statistical models. To investigate the practicality of probabilistic logic programming for structure learning in bioinformatics, we undertook a simplified bacterial gene-finding benchmark in PRISM, a probabilistic dialect of Prolog. We evaluate Hidden Markov Model structures for bacterial protein-coding gene potential, including a simple null model structure, three structures based on existing bacterial gene finders and two novel model structures. We test standard versions as well as ADPH length modeling and three-state versions of the five model structures. The models are all represented as probabilistic logic programs and evaluated using the PRISM machine learning system in terms of statistical information criteria and gene-finding prediction accuracy, in two bacterial genomes. Neither of our implementations of the two currently most used model structures are best performing in terms of statistical information criteria or prediction performances, suggesting that better-fitting models might be achievable. The source code of all PRISM models, data and additional scripts are freely available for download at: http://github.com/somork/codonhmm. Supplementary data are available at Bioinformatics online.

A deep learning framework for modeling structural features of RNA-binding protein targets

PubMed Central

Zhang, Sai; Zhou, Jingtian; Hu, Hailin; Gong, Haipeng; Chen, Ligong; Cheng, Chao; Zeng, Jianyang

2016-01-01

RNA-binding proteins (RBPs) play important roles in the post-transcriptional control of RNAs. Identifying RBP binding sites and characterizing RBP binding preferences are key steps toward understanding the basic mechanisms of the post-transcriptional gene regulation. Though numerous computational methods have been developed for modeling RBP binding preferences, discovering a complete structural representation of the RBP targets by integrating their available structural features in all three dimensions is still a challenging task. In this paper, we develop a general and flexible deep learning framework for modeling structural binding preferences and predicting binding sites of RBPs, which takes (predicted) RNA tertiary structural information into account for the first time. Our framework constructs a unified representation that characterizes the structural specificities of RBP targets in all three dimensions, which can be further used to predict novel candidate binding sites and discover potential binding motifs. Through testing on the real CLIP-seq datasets, we have demonstrated that our deep learning framework can automatically extract effective hidden structural features from the encoded raw sequence and structural profiles, and predict accurate RBP binding sites. In addition, we have conducted the first study to show that integrating the additional RNA tertiary structural features can improve the model performance in predicting RBP binding sites, especially for the polypyrimidine tract-binding protein (PTB), which also provides a new evidence to support the view that RBPs may own specific tertiary structural binding preferences. In particular, the tests on the internal ribosome entry site (IRES) segments yield satisfiable results with experimental support from the literature and further demonstrate the necessity of incorporating RNA tertiary structural information into the prediction model. The source code of our approach can be found in https://github.com/thucombio/deepnet-rbp. PMID:26467480

Histofluorescent labelling of catecholaminergic structures in rotifers (Aschelminthes). II. Males of Brachionus plicatilis and structures from sectioned females.

PubMed

Keshmirian, J; Nogrady, T

1988-01-01

1. Catecholaminergic structures in the male Brachionus plicatilis were investigated, using aqueous dansylpropranolol as fluorescent label of neurotransmitter receptors. 2. All major organs of the male are innervated by catecholaminergic systems, that may also be involved in the regulation of copulatory behavior. 3. Cryostat-sectioned preparations of the female B. plicatilis were also investigated. They provided additional information to findings on whole animals reported in our previous paper (Keshmirian and Nogrady 1987 a).

Aluminum plasmonic metamaterials for structural color printing

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

Cheng, Fei; Gao, Jie; Stan, Liliana

2015-01-01

We report a structural color printing platform based on aluminum plasmonic metamaterials supporting near perfect light absorption and narrow-band spectral response tunable across the visible spectrum to realize high-resolution, angle-insensitive color printing with high color purity and saturation. Additionally, the fabricated metamaterials can be protected by a transparent polymer thin layer for ambient use with further improved color performance. The demonstrated structural color printing with aluminum plasmonic metamaterials offers great potential for relevant applications such as security marking and information storage.

Aluminum plasmonic metamaterials for structural color printing

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

Cheng, Fei; Gao, Jie; Stan, Liliana

2015-05-26

We report a structural color printing platform based on aluminum plasmonic metamaterials supporting near perfect light absorption and narrow-band spectral response tunable across the visible spectrum to realize high-resolution, angle-insensitive color printing with high color purity and saturation. Additionally, the fabricated metamaterials can be protected by a transparent polymer thin layer for ambient use with further improved color performance. The demonstrated structural color printing with aluminum plasmonic metamaterials offers great potential for relevant applications such as security marking and information storage.

[Design and implementation of field questionnaire survey system of taeniasis/cysticercosis].

PubMed

Huan-Zhang, Li; Jing-Bo, Xue; Men-Bao, Qian; Xin-Zhong, Zang; Shang, Xia; Qiang, Wang; Ying-Dan, Chen; Shi-Zhu, Li

2018-04-17

A taeniasis/cysticercosis information management system was designed to achieve the dynamic monitoring of the epidemic situation of taeniasis/cysticercosis and improve the intelligence level of disease information management. The system includes three layer structures (application layer, technical core layer, and data storage layer) and designs a datum transmission and remote communication system of traffic information tube in Browser/Server architecture. The system is believed to promote disease datum collection. Additionally, the system may provide the standardized data for convenience of datum analysis.

Protein Structural Information Derived from NMR Chemical Shift with the Neural Network Program TALOS-N

PubMed Central

Shen, Yang; Bax, Ad

2015-01-01

Summary Chemical shifts are obtained at the first stage of any protein structural study by NMR spectroscopy. Chemical shifts are known to be impacted by a wide range of structural factors and the artificial neural network based TALOS-N program has been trained to extract backbone and sidechain torsion angles from 1H, 15N and 13C shifts. The program is quite robust, and typically yields backbone torsion angles for more than 90% of the residues, and sidechain χ1 rotamer information for about half of these, in addition to reliably predicting secondary structure. The use of TALOS-N is illustrated for the protein DinI, and torsion angles obtained by TALOS-N analysis from the measured chemical shifts of its backbone and 13Cβ nuclei are compared to those seen in a prior, experimentally determined structure. The program is also particularly useful for generating torsion angle restraints, which then can be used during standard NMR protein structure calculations. PMID:25502373

Murine Leukemia Virus Reverse Transcriptase: Structural Comparison with HIV-1 Reverse Transcriptase

PubMed Central

Coté, Marie L.; Roth, Monica J.

2008-01-01

Recent X-ray crystal structure determinations of Moloney murine leukemia virus reverse transcriptase (MoMLV RT) have allowed for more accurate structure/function comparisons to HIV-1 RT than were formerly possible. Previous biochemical studies of MoMLV RT in conjunction with knowledge of sequence homologies to HIV-1 RT and overall fold similarities to RTs in general, provided a foundation upon which to build. In addition, numerous crystal structures of the MoMLV RT fingers/palm subdomain had also shed light on one of the critical functions of the enzyme, specifically polymerization. Now in the advent of new structural information, more intricate examination of MoMLV RT in its entirety can be realized, and thus the comparisons with HIV-1 RT may be more critically elucidated. Here, we will review the similarities and differences between MoMLV RT and HIV-1 RT via structural analysis, and propose working models for the MoMLV RT based upon that information. PMID:18294720

15 CFR 50.5 - Fee structure for age search and citizenship information.

Code of Federal Regulations, 2010 CFR

2010-01-01

... Foreign Trade BUREAU OF THE CENSUS, DEPARTMENT OF COMMERCE SPECIAL SERVICES AND STUDIES BY THE BUREAU OF... to the $65.00 transcript fee. Note: An additional charge of $20.00 per case is charged for expedited...

(Durability of building materials and components)

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

Naus, D.J.

1990-11-27

The traveler participated in the fourth meeting of RILEM 100-TSL, Techniques for Service Life Prediction,'' and The Fifth International Conference on Durability of Building Materials and Components.'' In addition, the traveler met with staff members at Taywood Engineering Ltd., Electricite de France, and AEA Technology. The meeting pertained to performance of concrete materials in nuclear power plant structures, time variation of concrete material properties, methods for evaluating concrete structures, and modeling to predict the effects of degradation factors on concrete materials. As many of the concrete structures in general civil engineering applications as well as nuclear power plant applications inmore » Europe are aging, there is increasing emphasis on assessing the durability of these structures. Information was provided of direct application to the Structural Aging Program which would not have been available without these visits. Of equal, or possibly more importance, was the individual contacts established at the organizations visited. Each organization was extremely interested in both the approach and scope of the Structural Aging Program and requested that they be informed of progress. The initial steps were taken to cooperate with several of these researchers and this should help the Structural Aging Program keep abreast of related European activities. In summary, information obtained during this trip will benefit the ongoing Structural Aging Program by informing Oak Ridge National Laboratory (ORNL) of the extensive European research programs addressing the durability of concrete structures, and also by forming and strengthening acquaintances with counterparts in other countries, thus enhancing the basis for possible international cooperation.« less

Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination.

PubMed

Wlodawer, Alexander; Minor, Wladek; Dauter, Zbigniew; Jaskolski, Mariusz

2013-11-01

The number of macromolecular structures deposited in the Protein Data Bank now approaches 100,000, with the vast majority of them determined by crystallographic methods. Thousands of papers describing such structures have been published in the scientific literature, and 20 Nobel Prizes in chemistry or medicine have been awarded for discoveries based on macromolecular crystallography. New hardware and software tools have made crystallography appear to be an almost routine (but still far from being analytical) technique and many structures are now being determined by scientists with very limited experience in the practical aspects of the field. However, this apparent ease is sometimes illusory and proper procedures need to be followed to maintain high standards of structure quality. In addition, many noncrystallographers may have problems with the critical evaluation and interpretation of structural results published in the scientific literature. The present review provides an outline of the technical aspects of crystallography for less experienced practitioners, as well as information that might be useful for users of macromolecular structures, aiming to show them how to interpret (but not overinterpret) the information present in the coordinate files and in their description. A discussion of the extent of information that can be gleaned from the atomic coordinates of structures solved at different resolution is provided, as well as problems and pitfalls encountered in structure determination and interpretation. © 2013 FEBS.

Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination

PubMed Central

Wlodawer, Alexander; Minor, Wladek; Dauter, Zbigniew; Jaskolski, Mariusz

2014-01-01

The number of macromolecular structures deposited in the Protein Data Bank now approaches 100 000, with the vast majority of them determined by crystallographic methods. Thousands of papers describing such structures have been published in the scientific literature, and 20 Nobel Prizes in chemistry or medicine have been awarded for discoveries based on macromolecular crystallography. New hardware and software tools have made crystallography appear to be an almost routine (but still far from being analytical) technique and many structures are now being determined by scientists with very limited experience in the practical aspects of the field. However, this apparent ease is sometimes illusory and proper procedures need to be followed to maintain high standards of structure quality. In addition, many noncrystallographers may have problems with the critical evaluation and interpretation of structural results published in the scientific literature. The present review provides an outline of the technical aspects of crystallography for less experienced practitioners, as well as information that might be useful for users of macromolecular structures, aiming to show them how to interpret (but not overinterpret) the information present in the coordinate files and in their description. A discussion of the extent of information that can be gleaned from the atomic coordinates of structures solved at different resolution is provided, as well as problems and pitfalls encountered in structure determination and interpretation. PMID:24034303

Advanced applications of scatterometry based optical metrology

NASA Astrophysics Data System (ADS)

Dixit, Dhairya; Keller, Nick; Kagalwala, Taher; Recchia, Fiona; Lifshitz, Yevgeny; Elia, Alexander; Todi, Vinit; Fronheiser, Jody; Vaid, Alok

2017-03-01

The semiconductor industry continues to drive patterning solutions that enable devices with higher memory storage capacity, faster computing performance, and lower cost per transistor. These developments in the field of semiconductor manufacturing along with the overall minimization of the size of transistors require continuous development of metrology tools used for characterization of these complex 3D device architectures. Optical scatterometry or optical critical dimension (OCD) is one of the most prevalent inline metrology techniques in semiconductor manufacturing because it is a quick, precise and non-destructive metrology technique. However, at present OCD is predominantly used to measure the feature dimensions such as line-width, height, side-wall angle, etc. of the patterned nano structures. Use of optical scatterometry for characterizing defects such as pitch-walking, overlay, line edge roughness, etc. is fairly limited. Inspection of process induced abnormalities is a fundamental part of process yield improvement. It provides process engineers with important information about process errors, and consequently helps optimize materials and process parameters. Scatterometry is an averaging technique and extending it to measure the position of local process induced defectivity and feature-to-feature variation is extremely challenging. This report is an overview of applications and benefits of using optical scatterometry for characterizing defects such as pitch-walking, overlay and fin bending for advanced technology nodes beyond 7nm. Currently, the optical scatterometry is based on conventional spectroscopic ellipsometry and spectroscopic reflectometry measurements, but generalized ellipsometry or Mueller matrix spectroscopic ellipsometry data provides important, additional information about complex structures that exhibit anisotropy and depolarization effects. In addition the symmetry-antisymmetry properties associated with Mueller matrix (MM) elements provide an excellent means of measuring asymmetry present in the structure. The useful additional information as well as symmetry-antisymmetry properties of MM elements is used to characterize fin bending, overlay defects and design improvements in the OCD test structures are used to boost OCDs' sensitivity to pitch-walking. In addition, the validity of the OCD based results is established by comparing the results to the top down critical dimensionscanning electron microscope (CD-SEM) and cross-sectional transmission electron microscope (TEM) images.

Tree Testing of Hierarchical Menu Structures for Health Applications

PubMed Central

Le, Thai; Chaudhuri, Shomir; Chung, Jane; Thompson, Hilaire J; Demiris, George

2014-01-01

To address the need for greater evidence-based evaluation of Health Information Technology (HIT) systems we introduce a method of usability testing termed tree testing. In a tree test, participants are presented with an abstract hierarchical tree of the system taxonomy and asked to navigate through the tree in completing representative tasks. We apply tree testing to a commercially available health application, demonstrating a use case and providing a comparison with more traditional in-person usability testing methods. Online tree tests (N=54) and in-person usability tests (N=15) were conducted from August to September 2013. Tree testing provided a method to quantitatively evaluate the information structure of a system using various navigational metrics including completion time, task accuracy, and path length. The results of the analyses compared favorably to the results seen from the traditional usability test. Tree testing provides a flexible, evidence-based approach for researchers to evaluate the information structure of HITs. In addition, remote tree testing provides a quick, flexible, and high volume method of acquiring feedback in a structured format that allows for quantitative comparisons. With the diverse nature and often large quantities of health information available, addressing issues of terminology and concept classifications during the early development process of a health information system will improve navigation through the system and save future resources. Tree testing is a usability method that can be used to quickly and easily assess information hierarchy of health information systems. PMID:24582924

Seasonal Regulation of Repair Evaluation, Maintenance, and Rehabilitation (REMR) Activities. Repair, Evaluation, Maintenance, and Rehabilitation Research Program

DTIC Science & Technology

1988-08-01

availability and bioaccumulation of heavy metals, petroleum hydrocarbons , synthetic organic compounds, and radionuclides in sediments. Specific...toxins, petroleum pollution, noise, removal of colonized hard substrate, and ~~addition of new hard substrate. Using this information, in addition to...the disturbance. 16. Sedimentation and/or removal of substrate in areas adjacent to structures may affect benthic resources such as mollusc beds

Mixture models for protein structure ensembles.

PubMed

Hirsch, Michael; Habeck, Michael

2008-10-01

Protein structure ensembles provide important insight into the dynamics and function of a protein and contain information that is not captured with a single static structure. However, it is not clear a priori to what extent the variability within an ensemble is caused by internal structural changes. Additional variability results from overall translations and rotations of the molecule. And most experimental data do not provide information to relate the structures to a common reference frame. To report meaningful values of intrinsic dynamics, structural precision, conformational entropy, etc., it is therefore important to disentangle local from global conformational heterogeneity. We consider the task of disentangling local from global heterogeneity as an inference problem. We use probabilistic methods to infer from the protein ensemble missing information on reference frames and stable conformational sub-states. To this end, we model a protein ensemble as a mixture of Gaussian probability distributions of either entire conformations or structural segments. We learn these models from a protein ensemble using the expectation-maximization algorithm. Our first model can be used to find multiple conformers in a structure ensemble. The second model partitions the protein chain into locally stable structural segments or core elements and less structured regions typically found in loops. Both models are simple to implement and contain only a single free parameter: the number of conformers or structural segments. Our models can be used to analyse experimental ensembles, molecular dynamics trajectories and conformational change in proteins. The Python source code for protein ensemble analysis is available from the authors upon request.

Instruction in information structuring improves Bayesian judgment in intelligence analysts.

PubMed

Mandel, David R

2015-01-01

An experiment was conducted to test the effectiveness of brief instruction in information structuring (i.e., representing and integrating information) for improving the coherence of probability judgments and binary choices among intelligence analysts. Forty-three analysts were presented with comparable sets of Bayesian judgment problems before and immediately after instruction. After instruction, analysts' probability judgments were more coherent (i.e., more additive and compliant with Bayes theorem). Instruction also improved the coherence of binary choices regarding category membership: after instruction, subjects were more likely to invariably choose the category to which they assigned the higher probability of a target's membership. The research provides a rare example of evidence-based validation of effectiveness in instruction to improve the statistical assessment skills of intelligence analysts. Such instruction could also be used to improve the assessment quality of other types of experts who are required to integrate statistical information or make probabilistic assessments.

Getting the most out of additional guidance information in deformable image registration by leveraging multi-objective optimization

NASA Astrophysics Data System (ADS)

Alderliesten, Tanja; Bosman, Peter A. N.; Bel, Arjan

2015-03-01

Incorporating additional guidance information, e.g., landmark/contour correspondence, in deformable image registration is often desirable and is typically done by adding constraints or cost terms to the optimization function. Commonly, deciding between a "hard" constraint and a "soft" additional cost term as well as the weighting of cost terms in the optimization function is done on a trial-and-error basis. The aim of this study is to investigate the advantages of exploiting guidance information by taking a multi-objective optimization perspective. Hereto, next to objectives related to match quality and amount of deformation, we define a third objective related to guidance information. Multi-objective optimization eliminates the need to a-priori tune a weighting of objectives in a single optimization function or the strict requirement of fulfilling hard guidance constraints. Instead, Pareto-efficient trade-offs between all objectives are found, effectively making the introduction of guidance information straightforward, independent of its type or scale. Further, since complete Pareto fronts also contain less interesting parts (i.e., solutions with near-zero deformation effort), we study how adaptive steering mechanisms can be incorporated to automatically focus more on solutions of interest. We performed experiments on artificial and real clinical data with large differences, including disappearing structures. Results show the substantial benefit of using additional guidance information. Moreover, compared to the 2-objective case, additional computational cost is negligible. Finally, with the same computational budget, use of the adaptive steering mechanism provides superior solutions in the area of interest.

Automatic segmentation of relevant structures in DCE MR mammograms

NASA Astrophysics Data System (ADS)

Koenig, Matthias; Laue, Hendrik; Boehler, Tobias; Peitgen, Heinz-Otto

2007-03-01

The automatic segmentation of relevant structures such as skin edge, chest wall, or nipple in dynamic contrast enhanced MR imaging (DCE MRI) of the breast provides additional information for computer aided diagnosis (CAD) systems. Automatic reporting using BI-RADS criteria benefits of information about location of those structures. Lesion positions can be automatically described relatively to such reference structures for reporting purposes. Furthermore, this information can assist data reduction for computation expensive preprocessing such as registration, or for visualization of only the segments of current interest. In this paper, a novel automatic method for determining the air-breast boundary resp. skin edge, for approximation of the chest wall, and locating of the nipples is presented. The method consists of several steps which are built on top of each other. Automatic threshold computation leads to the air-breast boundary which is then analyzed to determine the location of the nipple. Finally, results of both steps are starting point for approximation of the chest wall. The proposed process was evaluated on a large data set of DCE MRI recorded by T1 sequences and yielded reasonable results in all cases.

Population coding in sparsely connected networks of noisy neurons.

PubMed

Tripp, Bryan P; Orchard, Jeff

2012-01-01

This study examines the relationship between population coding and spatial connection statistics in networks of noisy neurons. Encoding of sensory information in the neocortex is thought to require coordinated neural populations, because individual cortical neurons respond to a wide range of stimuli, and exhibit highly variable spiking in response to repeated stimuli. Population coding is rooted in network structure, because cortical neurons receive information only from other neurons, and because the information they encode must be decoded by other neurons, if it is to affect behavior. However, population coding theory has often ignored network structure, or assumed discrete, fully connected populations (in contrast with the sparsely connected, continuous sheet of the cortex). In this study, we modeled a sheet of cortical neurons with sparse, primarily local connections, and found that a network with this structure could encode multiple internal state variables with high signal-to-noise ratio. However, we were unable to create high-fidelity networks by instantiating connections at random according to spatial connection probabilities. In our models, high-fidelity networks required additional structure, with higher cluster factors and correlations between the inputs to nearby neurons.

MoonProt: a database for proteins that are known to moonlight

PubMed Central

Mani, Mathew; Chen, Chang; Amblee, Vaishak; Liu, Haipeng; Mathur, Tanu; Zwicke, Grant; Zabad, Shadi; Patel, Bansi; Thakkar, Jagravi; Jeffery, Constance J.

2015-01-01

Moonlighting proteins comprise a class of multifunctional proteins in which a single polypeptide chain performs multiple biochemical functions that are not due to gene fusions, multiple RNA splice variants or pleiotropic effects. The known moonlighting proteins perform a variety of diverse functions in many different cell types and species, and information about their structures and functions is scattered in many publications. We have constructed the manually curated, searchable, internet-based MoonProt Database (http://www.moonlightingproteins.org) with information about the over 200 proteins that have been experimentally verified to be moonlighting proteins. The availability of this organized information provides a more complete picture of what is currently known about moonlighting proteins. The database will also aid researchers in other fields, including determining the functions of genes identified in genome sequencing projects, interpreting data from proteomics projects and annotating protein sequence and structural databases. In addition, information about the structures and functions of moonlighting proteins can be helpful in understanding how novel protein functional sites evolved on an ancient protein scaffold, which can also help in the design of proteins with novel functions. PMID:25324305

49 CFR 229.211 - Processing of petitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... to the U.S. Department of Transportation Docket Operations (M-30), West Building Ground Floor, Room... requires additional information to appropriately consider the petition, FRA will conduct a hearing on the..., or both which may include validated computer modeling, structural crush analysis, component testing...

49 CFR 229.211 - Processing of petitions.

Code of Federal Regulations, 2013 CFR

2013-10-01

... to the U.S. Department of Transportation Docket Operations (M-30), West Building Ground Floor, Room... requires additional information to appropriately consider the petition, FRA will conduct a hearing on the..., or both which may include validated computer modeling, structural crush analysis, component testing...

49 CFR 229.211 - Processing of petitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... to the U.S. Department of Transportation Docket Operations (M-30), West Building Ground Floor, Room... requires additional information to appropriately consider the petition, FRA will conduct a hearing on the..., or both which may include validated computer modeling, structural crush analysis, component testing...

Global Nonlinear Optimization for the Interpretation of Magnetic Anomalies Over Idealized Geological Bodies for Ore Exploration - An Insight about Uncertainty

NASA Astrophysics Data System (ADS)

Biswas, A.

2016-12-01

A Very Fast Simulated Annealing (VFSA) global optimization code is produced for elucidation of magnetic data over various idealized bodies for mineral investigation. The way of uncertainty in the interpretation is additionally analyzed in the present study. This strategy fits the watched information exceptionally well by some straightforward geometrically body in the confined class of Sphere, horizontal cylinder, thin dyke and sheet type models. The consequences of VFSA improvement uncover that different parameters demonstrate various identical arrangements when state of the objective body is not known and shape factor "q" is additionally advanced together with other model parameters. The study uncovers that amplitude coefficient k is firmly subject to shape factor. This demonstrates there is multi-model sort vulnerability between these two model parameters. Be that as it may, the assessed estimations of shape factor from different VFSA runs without a doubt show whether the subsurface structure is sphere, horizontal cylinder, and dyke or sheet type structure. Thus, the precise shape element (2.5 for sphere, 2.0 for horizontal cylinder and 1.0 for dyke and sheet) is settled and improvement procedure is rehashed. Next, altering the shape factor and investigation of uncertainty as well as scatter-plots demonstrates a very much characterized uni-model characteristics. The mean model figured in the wake of settling the shape factor gives the highest dependable results. Inversion of noise-free and noisy synthetic data information and additionally field information shows the adequacy of the methodology. The procedure has been carefully and practically connected to five genuine field cases with the nearness of mineralized bodies covered at various profundities in the subsurface and complex geological settings. The method can be to a great degree appropriate for mineral investigation, where the attractive information is seen because of mineral body established in the shallow/deeper subsurface and the calculation time for the entire procedure are short. Keywords: Magnetic anomaly, idealized body, uncertainty, VFSA, multiple structure, ore exploration.

Information retrieval from holographic interferograms: Fundamentals and problems

NASA Technical Reports Server (NTRS)

Vest, Charles M.

1987-01-01

Holographic interferograms can contain large amounts of information about flow and temperature fields. Their information content can be very high because they can be viewed from many different directions. This multidirectionality, and fringe localization add to the information contained in the fringe pattern if diffuse illumination is used. Additional information, and increased accuracy can be obtained through the use of dual reference wave holography to add reference fringes or to effect discrete phase shift or hetrodyne interferometry. Automated analysis of fringes is possible if interferograms are of simple structure and good quality. However, in practice a large number of practical problems can arise, so that a difficult image processing task results.

Integration of Point Clouds and Images Acquired from a Low-Cost NIR Camera Sensor for Cultural Heritage Purposes

NASA Astrophysics Data System (ADS)

Kedzierski, M.; Walczykowski, P.; Wojtkowska, M.; Fryskowska, A.

2017-08-01

Terrestrial Laser Scanning is currently one of the most common techniques for modelling and documenting structures of cultural heritage. However, only geometric information on its own, without the addition of imagery data is insufficient when formulating a precise statement about the status of studies structure, for feature extraction or indicating the sites to be restored. Therefore, the Authors propose the integration of spatial data from terrestrial laser scanning with imaging data from low-cost cameras. The use of images from low-cost cameras makes it possible to limit the costs needed to complete such a study, and thus, increasing the possibility of intensifying the frequency of photographing and monitoring of the given structure. As a result, the analysed cultural heritage structures can be monitored more closely and in more detail, meaning that the technical documentation concerning this structure is also more precise. To supplement the laser scanning information, the Authors propose using both images taken both in the near-infrared range and in the visible range. This choice is motivated by the fact that not all important features of historical structures are always visible RGB, but they can be identified in NIR imagery, which, with the additional merging with a three-dimensional point cloud, gives full spatial information about the cultural heritage structure in question. The Authors proposed an algorithm that automates the process of integrating NIR images with a point cloud using parameters, which had been calculated during the transformation of RGB images. A number of conditions affecting the accuracy of the texturing had been studies, in particular, the impact of the geometry of the distribution of adjustment points and their amount on the accuracy of the integration process, the correlation between the intensity value and the error on specific points using images in different ranges of the electromagnetic spectrum and the selection of the optimal method of transforming the acquired imagery. As a result of the research, an innovative solution was achieved, giving high accuracy results and taking into account a number of factors important in the creation of the documentation of historical structures. In addition, thanks to the designed algorithm, the final result can be obtained in a very short time at a high level of automation, in relation to similar types of studies, meaning that it would be possible to obtain a significant data set for further analyses and more detailed monitoring of the state of the historical structures.

SimRNA: a coarse-grained method for RNA folding simulations and 3D structure prediction.

PubMed

Boniecki, Michal J; Lach, Grzegorz; Dawson, Wayne K; Tomala, Konrad; Lukasz, Pawel; Soltysinski, Tomasz; Rother, Kristian M; Bujnicki, Janusz M

2016-04-20

RNA molecules play fundamental roles in cellular processes. Their function and interactions with other biomolecules are dependent on the ability to form complex three-dimensional (3D) structures. However, experimental determination of RNA 3D structures is laborious and challenging, and therefore, the majority of known RNAs remain structurally uncharacterized. Here, we present SimRNA: a new method for computational RNA 3D structure prediction, which uses a coarse-grained representation, relies on the Monte Carlo method for sampling the conformational space, and employs a statistical potential to approximate the energy and identify conformations that correspond to biologically relevant structures. SimRNA can fold RNA molecules using only sequence information, and, on established test sequences, it recapitulates secondary structure with high accuracy, including correct prediction of pseudoknots. For modeling of complex 3D structures, it can use additional restraints, derived from experimental or computational analyses, including information about secondary structure and/or long-range contacts. SimRNA also can be used to analyze conformational landscapes and identify potential alternative structures. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Monitoring Data-Structure Evolution in Distributed Message-Passing Programs

NASA Technical Reports Server (NTRS)

Sarukkai, Sekhar R.; Beers, Andrew; Woodrow, Thomas S. (Technical Monitor)

1996-01-01

Monitoring the evolution of data structures in parallel and distributed programs, is critical for debugging its semantics and performance. However, the current state-of-art in tracking and presenting data-structure information on parallel and distributed environments is cumbersome and does not scale. In this paper we present a methodology that automatically tracks memory bindings (not the actual contents) of static and dynamic data-structures of message-passing C programs, using PVM. With the help of a number of examples we show that in addition to determining the impact of memory allocation overheads on program performance, graphical views can help in debugging the semantics of program execution. Scalable animations of virtual address bindings of source-level data-structures are used for debugging the semantics of parallel programs across all processors. In conjunction with light-weight core-files, this technique can be used to complement traditional debuggers on single processors. Detailed information (such as data-structure contents), on specific nodes, can be determined using traditional debuggers after the data structure evolution leading to the semantic error is observed graphically.

Multi-allelic haplotype model based on genetic partition for genomic prediction and variance component estimation using SNP markers.

PubMed

Da, Yang

2015-12-18

The amount of functional genomic information has been growing rapidly but remains largely unused in genomic selection. Genomic prediction and estimation using haplotypes in genome regions with functional elements such as all genes of the genome can be an approach to integrate functional and structural genomic information for genomic selection. Towards this goal, this article develops a new haplotype approach for genomic prediction and estimation. A multi-allelic haplotype model treating each haplotype as an 'allele' was developed for genomic prediction and estimation based on the partition of a multi-allelic genotypic value into additive and dominance values. Each additive value is expressed as a function of h - 1 additive effects, where h = number of alleles or haplotypes, and each dominance value is expressed as a function of h(h - 1)/2 dominance effects. For a sample of q individuals, the limit number of effects is 2q - 1 for additive effects and is the number of heterozygous genotypes for dominance effects. Additive values are factorized as a product between the additive model matrix and the h - 1 additive effects, and dominance values are factorized as a product between the dominance model matrix and the h(h - 1)/2 dominance effects. Genomic additive relationship matrix is defined as a function of the haplotype model matrix for additive effects, and genomic dominance relationship matrix is defined as a function of the haplotype model matrix for dominance effects. Based on these results, a mixed model implementation for genomic prediction and variance component estimation that jointly use haplotypes and single markers is established, including two computing strategies for genomic prediction and variance component estimation with identical results. The multi-allelic genetic partition fills a theoretical gap in genetic partition by providing general formulations for partitioning multi-allelic genotypic values and provides a haplotype method based on the quantitative genetics model towards the utilization of functional and structural genomic information for genomic prediction and estimation.

Computational Methods in Drug Discovery

PubMed Central

Sliwoski, Gregory; Kothiwale, Sandeepkumar; Meiler, Jens

2014-01-01

Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based methods are in principle analogous to high-throughput screening in that both target and ligand structure information is imperative. Structure-based approaches include ligand docking, pharmacophore, and ligand design methods. The article discusses theory behind the most important methods and recent successful applications. Ligand-based methods use only ligand information for predicting activity depending on its similarity/dissimilarity to previously known active ligands. We review widely used ligand-based methods such as ligand-based pharmacophores, molecular descriptors, and quantitative structure-activity relationships. In addition, important tools such as target/ligand data bases, homology modeling, ligand fingerprint methods, etc., necessary for successful implementation of various computer-aided drug discovery/design methods in a drug discovery campaign are discussed. Finally, computational methods for toxicity prediction and optimization for favorable physiologic properties are discussed with successful examples from literature. PMID:24381236

CASTp 3.0: computed atlas of surface topography of proteins.

PubMed

Tian, Wei; Chen, Chang; Lei, Xue; Zhao, Jieling; Liang, Jie

2018-06-01

Geometric and topological properties of protein structures, including surface pockets, interior cavities and cross channels, are of fundamental importance for proteins to carry out their functions. Computed Atlas of Surface Topography of proteins (CASTp) is a web server that provides online services for locating, delineating and measuring these geometric and topological properties of protein structures. It has been widely used since its inception in 2003. In this article, we present the latest version of the web server, CASTp 3.0. CASTp 3.0 continues to provide reliable and comprehensive identifications and quantifications of protein topography. In addition, it now provides: (i) imprints of the negative volumes of pockets, cavities and channels, (ii) topographic features of biological assemblies in the Protein Data Bank, (iii) improved visualization of protein structures and pockets, and (iv) more intuitive structural and annotated information, including information of secondary structure, functional sites, variant sites and other annotations of protein residues. The CASTp 3.0 web server is freely accessible at http://sts.bioe.uic.edu/castp/.

Structure preserving clustering-object tracking via subgroup motion pattern segmentation

NASA Astrophysics Data System (ADS)

Fan, Zheyi; Zhu, Yixuan; Jiang, Jiao; Weng, Shuqin; Liu, Zhiwen

2018-01-01

Tracking clustering objects with similar appearances simultaneously in collective scenes is a challenging task in the field of collective motion analysis. Recent work on clustering-object tracking often suffers from poor tracking accuracy and terrible real-time performance due to the neglect or the misjudgment of the motion differences among objects. To address this problem, we propose a subgroup motion pattern segmentation framework based on a multilayer clustering structure and establish spatial constraints only among objects in the same subgroup, which entails having consistent motion direction and close spatial position. In addition, the subgroup segmentation results are updated dynamically because crowd motion patterns are changeable and affected by objects' destinations and scene structures. The spatial structure information combined with the appearance similarity information is used in the structure preserving object tracking framework to track objects. Extensive experiments conducted on several datasets containing multiple real-world crowd scenes validate the accuracy and the robustness of the presented algorithm for tracking objects in collective scenes.

Genome scale enzyme–metabolite and drug–target interaction predictions using the signature molecular descriptor

DOE PAGES

Faulon, Jean-Loup; Misra, Milind; Martin, Shawn; ...

2007-11-23

Motivation: Identifying protein enzymatic or pharmacological activities are important areas of research in biology and chemistry. Biological and chemical databases are increasingly being populated with linkages between protein sequences and chemical structures. Additionally, there is now sufficient information to apply machine-learning techniques to predict interactions between chemicals and proteins at a genome scale. Current machine-learning techniques use as input either protein sequences and structures or chemical information. We propose here a method to infer protein–chemical interactions using heterogeneous input consisting of both protein sequence and chemical information. Results: Our method relies on expressing proteins and chemicals with a common cheminformaticsmore » representation. We demonstrate our approach by predicting whether proteins can catalyze reactions not present in training sets. We also predict whether a given drug can bind a target, in the absence of prior binding information for that drug and target. Lastly, such predictions cannot be made with current machine-learning techniques requiring binding information for individual reactions or individual targets.« less

If you watch it move, you'll recognize it in 3D: Transfer of depth cues between encoding and retrieval.

PubMed

Papenmeier, Frank; Schwan, Stephan

2016-02-01

Viewing objects with stereoscopic displays provides additional depth cues through binocular disparity supporting object recognition. So far, it was unknown whether this results from the representation of specific stereoscopic information in memory or a more general representation of an object's depth structure. Therefore, we investigated whether continuous object rotation acting as depth cue during encoding results in a memory representation that can subsequently be accessed by stereoscopic information during retrieval. In Experiment 1, we found such transfer effects from continuous object rotation during encoding to stereoscopic presentations during retrieval. In Experiments 2a and 2b, we found that the continuity of object rotation is important because only continuous rotation and/or stereoscopic depth but not multiple static snapshots presented without stereoscopic information caused the extraction of an object's depth structure into memory. We conclude that an object's depth structure and not specific depth cues are represented in memory. Copyright © 2015 Elsevier B.V. All rights reserved.

High-pressure structural and vibrational properties of monazite-type BiPO4, LaPO4, CePO4, and PrPO4

NASA Astrophysics Data System (ADS)

Errandonea, D.; Gomis, O.; Rodríguez-Hernández, P.; Muñoz, A.; Ruiz-Fuertes, J.; Gupta, M.; Achary, S. N.; Hirsch, A.; Manjon, F. J.; Peters, L.; Roth, G.; Tyagi, A. K.; Bettinelli, M.

2018-02-01

Monazite-type BiPO4, LaPO4, CePO4, and PrPO4 have been studied under high pressure by ab initio simulations and Raman spectroscopy measurements in the pressure range of stability of the monazite structure. A good agreement between experimental and theoretical Raman-active mode frequencies and pressure coefficients has been found which has allowed us to discuss the nature of the Raman-active modes. Besides, calculations have provided us with information on how the crystal structure is modified by pressure. This information has allowed us to determine the equation of state and the isothermal compressibility tensor of the four studied compounds. In addition, the information obtained on the polyhedral compressibility has been used to explain the anisotropic axial compressibility and the bulk compressibility of monazite phosphates. Finally, we have carried out a systematic discussion on the high-pressure behavior of the four studied phosphates in comparison to results of previous studies.

A hierarchical structure for representing and learning fuzzy rules

NASA Technical Reports Server (NTRS)

Yager, Ronald R.

1993-01-01

Yager provides an example in which the flat representation of fuzzy if-then rules leads to unsatisfactory results. Consider a rule base consisting to two rules: if U is 12 the V is 29; if U is (10-15) the V is (25-30). If U = 12 we would get V is G where G = (25-30). The application of the defuzzification process leads to a selection of V = 27.5. Thus we see that the very specific instruction was not followed. The problem with the technique used is that the most specific information was swamped by the less specific information. In this paper we shall provide for a new structure for the representation of fuzzy if-then rules. The representational form introduced here is called a Hierarchical Prioritized Structure (HPS) representation. Most importantly in addition to overcoming the problem illustrated in the previous example this HPS representation has an inherent capability to emulate the learning of general rules and provides a reasonable accurate cognitive mapping of how human beings store information.

The National Library of Medicine's (NLM) Hazardous Substances Data Bank (HSDB): background, recent enhancements and future plans.

PubMed

Fonger, George Charles; Hakkinen, Pertti; Jordan, Shannon; Publicker, Stephanie

2014-11-05

The National Library of Medicine's (NLM) Division of Specialized Information Services (SIS) Toxicology and Environmental Health Information Program is responsible for the management of the online Hazardous Substances Data Bank (HSDB). HSDB, a part of NLM's Toxicology Data Network (TOXNET(®)), is a file of chemical/substance information with one record for each specific chemical or substance, or for a category of chemicals or substances. Like the rest of TOXNET's databases and other resources, HSDB is available online at no cost to global users. HSDB has approximately 5600 chemicals and substances, with a focus on toxicology information and also on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, and related areas of likely interest to HSDB users. All data are from a core set of books, government documents, technical reports, selected primary journal literature, and other online sources of information, with a goal of linking the HSDB content to as much publicly available information as possible. HSDB's content is peer-reviewed by the Scientific Review Panel, a group of experts in the areas covering the scope of HSDB content. Recent enhancements include the addition of chemical structures to HSDB records, the addition of new subfields such as age groups for human data, more occupational exposure standards, and the addition of information on numerous nanomaterials. Examples of future plans include providing more exposure-related information, e.g., uses of a chemical or substance in consumer products; the addition of information summaries aimed towards consumers and other members of the public wanting to learn about a chemical or substance; more visual content such as diagrams (images) of the pathways of metabolism of a substance; and enhanced search features and navigation. Published by Elsevier Ireland Ltd.

Vertical Profiles of Latent Heat Release Over the Global Tropics using TRMM Rainfall Products from December 1997 to November 2001

NASA Technical Reports Server (NTRS)

Tao, W.-K.; Lang, S.; Simpson, J.; Meneghini, R.; Halverson, J.; Johnson, R.; Adler, R.; Starr, David (Technical Monitor)

2002-01-01

NASA Tropical Rainfall Measuring Mission (TRMM) precipitation radar (PR) derived rainfall information will be used to estimate the four-dimensional structure of global monthly latent heating and rainfall profiles over the global tropics from December 1997 to November 2000. Rainfall, latent heating and radar reflectivity structures between El Nino (DJF 1997-98) and La Nina (DJF 1998-99) will be examined and compared. The seasonal variation of heating over various geographic locations (i.e., oceanic vs continental, Indian ocean vs west Pacific, Africa vs S. America) will also be analyzed. In addition, the relationship between rainfall, latent heating (maximum heating level), radar reflectivity and SST is examined and will be presented in the meeting. The impact of random error and bias in stratiform percentage estimates from PR on latent heating profiles is studied and will also be presented in the meeting. Additional information is included in the original extended abstract.

Benefits of rotational ground motions for planetary seismology

NASA Astrophysics Data System (ADS)

Donner, S.; Joshi, R.; Hadziioannou, C.; Nunn, C.; van Driel, M.; Schmelzbach, C.; Wassermann, J. M.; Igel, H.

2017-12-01

Exploring the internal structure of planetary objects is fundamental to understand the evolution of our solar system. In contrast to Earth, planetary seismology is hampered by the limited number of stations available, often just a single one. Classic seismology is based on the measurement of three components of translational ground motion. Its methods are mainly developed for a larger number of available stations. Therefore, the application of classical seismological methods to other planets is very limited. Here, we show that the additional measurement of three components of rotational ground motion could substantially improve the situation. From sparse or single station networks measuring translational and rotational ground motions it is possible to obtain additional information on structure and source. This includes direct information on local subsurface seismic velocities, separation of seismic phases, propagation direction of seismic energy, crustal scattering properties, as well as moment tensor source parameters for regional sources. The potential of this methodology will be highlighted through synthetic forward and inverse modeling experiments.

NCBI GEO: archive for high-throughput functional genomic data.

PubMed

Barrett, Tanya; Troup, Dennis B; Wilhite, Stephen E; Ledoux, Pierre; Rudnev, Dmitry; Evangelista, Carlos; Kim, Irene F; Soboleva, Alexandra; Tomashevsky, Maxim; Marshall, Kimberly A; Phillippy, Katherine H; Sherman, Patti M; Muertter, Rolf N; Edgar, Ron

2009-01-01

The Gene Expression Omnibus (GEO) at the National Center for Biotechnology Information (NCBI) is the largest public repository for high-throughput gene expression data. Additionally, GEO hosts other categories of high-throughput functional genomic data, including those that examine genome copy number variations, chromatin structure, methylation status and transcription factor binding. These data are generated by the research community using high-throughput technologies like microarrays and, more recently, next-generation sequencing. The database has a flexible infrastructure that can capture fully annotated raw and processed data, enabling compliance with major community-derived scientific reporting standards such as 'Minimum Information About a Microarray Experiment' (MIAME). In addition to serving as a centralized data storage hub, GEO offers many tools and features that allow users to effectively explore, analyze and download expression data from both gene-centric and experiment-centric perspectives. This article summarizes the GEO repository structure, content and operating procedures, as well as recently introduced data mining features. GEO is freely accessible at http://www.ncbi.nlm.nih.gov/geo/.

KnotProt: a database of proteins with knots and slipknots

PubMed Central

Jamroz, Michal; Niemyska, Wanda; Rawdon, Eric J.; Stasiak, Andrzej; Millett, Kenneth C.; Sułkowski, Piotr; Sulkowska, Joanna I.

2015-01-01

The protein topology database KnotProt, http://knotprot.cent.uw.edu.pl/, collects information about protein structures with open polypeptide chains forming knots or slipknots. The knotting complexity of the cataloged proteins is presented in the form of a matrix diagram that shows users the knot type of the entire polypeptide chain and of each of its subchains. The pattern visible in the matrix gives the knotting fingerprint of a given protein and permits users to determine, for example, the minimal length of the knotted regions (knot's core size) or the depth of a knot, i.e. how many amino acids can be removed from either end of the cataloged protein structure before converting it from a knot to a different type of knot. In addition, the database presents extensive information about the biological functions, families and fold types of proteins with non-trivial knotting. As an additional feature, the KnotProt database enables users to submit protein or polymer chains and generate their knotting fingerprints. PMID:25361973

The NASTRAN user's manual (level 17.0)

NASA Technical Reports Server (NTRS)

1979-01-01

NASTRAN embodies a lumped element approach, wherein the distributed physical properties of a structure are represented by a model consisting of a finite number of idealized substructures or elements that are interconnected at a finite of grid points, to which loads are applied. All input and output data pertain to the idealized structural model. The general procedures for defining structural models are described and instructions are given for each of the bulk data cards and case control cards. Additional information on the case control cards and use of parameters is included for each rigid format.

Smartphone based hemispherical photography for canopy structure measurement

NASA Astrophysics Data System (ADS)

Wan, Xuefen; Cui, Jian; Jiang, Xueqin; Zhang, Jingwen; Yang, Yi; Zheng, Tao

2018-01-01

The canopy is the most direct and active interface layer of the interaction between plant and environment, and has important influence on energy exchange, biodiversity, ecosystem matter and climate change. The measurement about canopy structure of plant is an important foundation to analyze the pattern, process and operation mechanism of forest ecosystem. Through the study of canopy structure of plant, solar radiation, ambient wind speed, air temperature and humidity, soil evaporation, soil temperature and other forest environmental climate characteristics can be evaluated. Because of its accuracy and effectiveness, canopy structure measurement based on hemispherical photography has been widely studied. However, the traditional method of canopy structure hemispherical photogrammetry based on SLR camera and fisheye lens. This method is expensive and difficult to be used in some low-cost occasions. In recent years, smartphone technology has been developing rapidly. The smartphone not only has excellent image acquisition ability, but also has the considerable computational processing ability. In addition, the gyroscope and positioning function on the smartphone will also help to measure the structure of the canopy. In this paper, we present a smartphone based hemispherical photography system. The system consists of smart phones, low-cost fisheye lenses and PMMA adapters. We designed an Android based App to obtain the canopy hemisphere images through low-cost fisheye lenses and provide horizontal collimation information. In addition, the App will add the acquisition location tag obtained by GPS and auxiliary positioning method in hemisphere image information after the canopy structure hemisphere image acquisition. The system was tested in the urban forest after it was completed. The test results show that the smartphone based hemispherical photography system can effectively collect the high-resolution canopy structure image of the plant.

Structural Analysis Methods for Structural Health Management of Future Aerospace Vehicles

NASA Technical Reports Server (NTRS)

Tessler, Alexander

2007-01-01

Two finite element based computational methods, Smoothing Element Analysis (SEA) and the inverse Finite Element Method (iFEM), are reviewed, and examples of their use for structural health monitoring are discussed. Due to their versatility, robustness, and computational efficiency, the methods are well suited for real-time structural health monitoring of future space vehicles, large space structures, and habitats. The methods may be effectively employed to enable real-time processing of sensing information, specifically for identifying three-dimensional deformed structural shapes as well as the internal loads. In addition, they may be used in conjunction with evolutionary algorithms to design optimally distributed sensors. These computational tools have demonstrated substantial promise for utilization in future Structural Health Management (SHM) systems.

The biological roots of political extremism.

PubMed

Keene, Justin Robert; Shoenberger, Heather; Berke, Collin K; Bolls, Paul D

2017-01-01

Recent research has revealed the complex origins of political identification and the possible effects of this identification on social and political behavior. This article reports the results of a structural equation analysis of national survey data that attempts to replicate the finding that an individual's negativity bias predicts conservative ideology. The analysis employs the Motivational Activation Measure (MAM) as an index of an individual's positivity offset and negativity bias. In addition, information-seeking behavior is assessed in relation to traditional and interactive media sources of political information. Results show that although MAM does not consistently predict political identification, it can be used to predict extremeness of political views. Specifically, high negativity bias was associated with extreme conservatism, whereas low negativity bias was associated with extreme liberalism. In addition, political identification was found to moderate the relationship between motivational traits and information-seeking behavior.

A review and evaluation of the internal structure and consistency of the Approaches to Teaching Inventory

NASA Astrophysics Data System (ADS)

Harshman, Jordan; Stains, Marilyne

2017-05-01

This study presents a review from 39 studies that provide evidence for the structural validity and internal consistency of the Approaches to Teaching Inventory (ATI). In addition to this review, we evaluate many alternative factor structures on a sample of 267 first- and second-year chemistry faculty members participating in a professional development, a sample of instructors for which the ATI was originally designed. A total of 26 unique factor structures were evaluated. Through robust checking of assumptions, compilations of existing evidence, and new exploratory and confirmatory analyses, we found that there is greater evidence for the structural validity and internal consistency for the 22-item ATI than the 16-item ATI. Additionally, evidence supporting the original two-factor and four-factor structures proposed by the ATI authors (focusing on information transmission and conceptual change) were not reproducible and while alternative models were empirically viable, more theoretical justification is warranted. Recommendations for ATI use and general comments regarding best practices of reporting psychometrics in educational research contexts are discussed.

The Porosity of Eros and Implications for Its Internal Structure

NASA Technical Reports Server (NTRS)

Wilkison, S. L.; Robinson, M. S.; Thomas, P. C.; Veverka, J.; McCoy, T. J.; Murchie, S. L.; Prockter, L.; Yeomans, D.

2001-01-01

We estimate the porosity of Eros to be between 21-33%. Based on this porosity range and morphologic observations of the surface, we suggest that the asteroid is heavily fractured (but not a rubble pile). Additional information is contained in the original extended abstract.

In-Depth View of the Structure and Growth of SnO2 Nanowires and Nanobrushes.

PubMed

Stuckert, Erin P; Geiss, Roy H; Miller, Christopher J; Fisher, Ellen R

2016-08-31

Strategic application of an array of complementary imaging and diffraction techniques is critical to determine accurate structural information on nanomaterials, especially when also seeking to elucidate structure-property relationships and their effects on gas sensors. In this work, SnO2 nanowires and nanobrushes grown via chemical vapor deposition (CVD) displayed the same tetragonal SnO2 structure as revealed via powder X-ray diffraction bulk crystallinity data. Additional characterization using a range of electron microscopy imaging and diffraction techniques, however, revealed important structure and morphology distinctions between the nanomaterials. Tailoring scanning transmission electron microscopy (STEM) modes combined with transmission electron backscatter diffraction (t-EBSD) techniques afforded a more detailed view of the SnO2 nanostructures. Indeed, upon deeper analysis of individual wires and brushes, we discovered that, despite a similar bulk structure, wires and brushes grew with different crystal faces and lattice spacings. Had we not utilized multiple STEM diffraction modes in conjunction with t-EBSD, differences in orientation related to bristle density would have been overlooked. Thus, it is only through a methodical combination of several structural analysis techniques that precise structural information can be reliably obtained.

A genetic code Boolean structure. II. The genetic information system as a Boolean information system.

PubMed

Sanchez, Robersy; Grau, Ricardo

2005-09-01

A Boolean structure of the genetic code where Boolean deductions have biological and physicochemical meanings was discussed in a previous paper. Now, from these Boolean deductions we propose to define the value of amino acid information in order to consider the genetic information system as a communication system and to introduce the semantic content of information ignored by the conventional information theory. In this proposal, the value of amino acid information is proportional to the molecular weight of amino acids with a proportional constant of about 1.96 x 10(25) bits per kg. In addition to this, for the experimental estimations of the minimum energy dissipation in genetic logic operations, we present two postulates: (1) the energy Ei (i=1,2,...,20) of amino acids in the messages conveyed by proteins is proportional to the value of information, and (2) amino acids are distributed according to their energy Ei so the amino acid population in proteins follows a Boltzmann distribution. Specifically, in the genetic message carried by the DNA from the genomes of living organisms, we found that the minimum energy dissipation in genetic logic operations was close to kTLn(2) joules per bit.

Quality assessment of protein model-structures using evolutionary conservation.

PubMed

Kalman, Matan; Ben-Tal, Nir

2010-05-15

Programs that evaluate the quality of a protein structural model are important both for validating the structure determination procedure and for guiding the model-building process. Such programs are based on properties of native structures that are generally not expected for faulty models. One such property, which is rarely used for automatic structure quality assessment, is the tendency for conserved residues to be located at the structural core and for variable residues to be located at the surface. We present ConQuass, a novel quality assessment program based on the consistency between the model structure and the protein's conservation pattern. We show that it can identify problematic structural models, and that the scores it assigns to the server models in CASP8 correlate with the similarity of the models to the native structure. We also show that when the conservation information is reliable, the method's performance is comparable and complementary to that of the other single-structure quality assessment methods that participated in CASP8 and that do not use additional structural information from homologs. A perl implementation of the method, as well as the various perl and R scripts used for the analysis are available at http://bental.tau.ac.il/ConQuass/. nirb@tauex.tau.ac.il Supplementary data are available at Bioinformatics online.

Hybrid Structure Multichannel All-Fiber Current Sensor.

PubMed

Jiang, Junzhen; Zhang, Hao; He, Youwu; Qiu, Yishen

2017-08-02

We have experimentally developed a hybrid-structure multi-channel all-fiber current sensor with ordinary silica fiber using fiber loop architecture. According to the rationale of time division multiplexing, the sensor combines parallel and serial structures. The purpose of the hybrid-structure multi-channel all-fiber current sensor is to get more information from the different measured points simultaneously. In addition, the hybrid-structure fiber current sensor exhibited a good linear response for each channel. A three-channel experiment was performed in the study and showed that the system could detect different current positions. Each channel could individually detect the current and needed a separate calibration system. Furthermore, the three channels will not affect each other.

Eta Carinae: An Observational Testbed for 3-D Interacting Wind Modeling

NASA Technical Reports Server (NTRS)

Gull, Theodore; Madura, Tom; Groh, Jose; Corcoran, Mike; Owocki, Stan

2011-01-01

Eta Car, with its very massive interacting winds, provides shocked arc-like structures dense enough to trace in forbidden emission lines out to 0.7" (1700 AU). As the massive binary is in a very elliptical orbit (e approx. 0.9), the spatial and velocity structures of these winds change over the 5.54 year period. We can tract ionization structures by several forbidden emission lines. With the addition of radiative transfer on a time-step frame-by-frame basis, we are learning much new information on the ballistic structures, and may gain insight on how molecules and dust might form in these very massive systems.

Psychometrics of the AAN Caregiver Driving Safety Questionnaire and contributors to caregiver concern about driving safety in older adults.

PubMed

Carvalho, Janessa O; Springate, Beth; Bernier, Rachel A; Davis, Jennifer

2018-03-01

ABSTRACTBackground:The American Academy of Neurology (AAN) updated their practice parameters in the evaluation of driving risk in dementia and developed a Caregiver Driving Safety Questionnaire, detailed in their original manuscript (Iverson Gronseth, Reger, Classen, Dubinsky, & Rizzo, 2010). They described four factors associated with decreased driving ability in dementia patients: history of crashes or citations, informant-reported concerns, reduced mileage, and aggressive driving. An informant-reported AAN Caregiver Driving Safety Questionnaire was designed with these elements, and the current study was the first to explore the factor structure of this questionnaire. Additionally, we examined associations between these factors and cognitive and behavioral measures in patients with mild cognitive impairment or early Alzheimer's disease and their informants. Exploratory factor analysis revealed a four-component structure, consistent with the theory behind the AAN scale composition. These four factor scores also were significantly associated with performance on cognitive screening instruments and informant reported behavioral dysfunction. Regressions revealed that behavioral dysfunction predicted caregiver concerns about driving safety beyond objective patient cognitive dysfunction. In this first known quantitative exploration of the scale, our results support continued use of this scale in office driving safety assessments. Additionally, patient behavioral changes predicted caregiver concerns about driving safety over and above cognitive status, which suggests that caregivers may benefit from psychoeducation about cognitive factors that may negatively impact driving safety.

Doppler Fourier Domain Optical Coherence Tomography for Label-Free Tissue Angiography

NASA Astrophysics Data System (ADS)

Leitgeb, Rainer A.; Szkulmowski, Maciej; Blatter, Cedric; Wojtkowski, Maciej

Information about tissue perfusion and the vascular structure is certainly most important for assessment of tissue state or personal health and the diagnosis of any pathological conditions. It is therefore of key medical interest to have tools available for both quantitative blood flow assessment as well as qualitative vascular imaging. The strength of optical techniques is the unprecedented level of detail even for small capillary structures or microaneurysms and the possibility to combine different techniques for additional tissue spectroscopy giving insight into tissue metabolism. There is an immediate diagnostic and pharmacological demand for high-resolution, label-free, tissue angiography and flow assessment that in addition allow for precise depth gating of flow information. The most promising candidate is Doppler optical coherence tomography (DOCT) being noncontact, label free, and without employing hazardous radiation. DOCT provides fully quantitative volumetric information about blood flow together with the vascular and structural anatomy. Besides flow quantification, analysis of OCT signal fluctuations allows to contrast moving scatterers in tissue such as red blood cells from static tissue. This allows for non-invasive optical angiography and yields high resolution even for smallest capillaries. Because of the huge potential of DOCT and lable-free optical angiography for diagnosis, the last years saw a rapid increase of publications in this field with many different approaches. The present chapter gives an overview over existing Doppler OCT approaches and angiography techniques. It furthermore discusses limitations and noise issues, and gives examples for angiography in the eye and the skin.

What is bioinformatics? A proposed definition and overview of the field.

PubMed

Luscombe, N M; Greenbaum, D; Gerstein, M

2001-01-01

The recent flood of data from genome sequences and functional genomics has given rise to new field, bioinformatics, which combines elements of biology and computer science. Here we propose a definition for this new field and review some of the research that is being pursued, particularly in relation to transcriptional regulatory systems. Our definition is as follows: Bioinformatics is conceptualizing biology in terms of macromolecules (in the sense of physical-chemistry) and then applying "informatics" techniques (derived from disciplines such as applied maths, computer science, and statistics) to understand and organize the information associated with these molecules, on a large-scale. Analyses in bioinformatics predominantly focus on three types of large datasets available in molecular biology: macromolecular structures, genome sequences, and the results of functional genomics experiments (e.g. expression data). Additional information includes the text of scientific papers and "relationship data" from metabolic pathways, taxonomy trees, and protein-protein interaction networks. Bioinformatics employs a wide range of computational techniques including sequence and structural alignment, database design and data mining, macromolecular geometry, phylogenetic tree construction, prediction of protein structure and function, gene finding, and expression data clustering. The emphasis is on approaches integrating a variety of computational methods and heterogeneous data sources. Finally, bioinformatics is a practical discipline. We survey some representative applications, such as finding homologues, designing drugs, and performing large-scale censuses. Additional information pertinent to the review is available over the web at http://bioinfo.mbb.yale.edu/what-is-it.

Nonlocal sparse model with adaptive structural clustering for feature extraction of aero-engine bearings

NASA Astrophysics Data System (ADS)

Zhang, Han; Chen, Xuefeng; Du, Zhaohui; Li, Xiang; Yan, Ruqiang

2016-04-01

Fault information of aero-engine bearings presents two particular phenomena, i.e., waveform distortion and impulsive feature frequency band dispersion, which leads to a challenging problem for current techniques of bearing fault diagnosis. Moreover, although many progresses of sparse representation theory have been made in feature extraction of fault information, the theory also confronts inevitable performance degradation due to the fact that relatively weak fault information has not sufficiently prominent and sparse representations. Therefore, a novel nonlocal sparse model (coined NLSM) and its algorithm framework has been proposed in this paper, which goes beyond simple sparsity by introducing more intrinsic structures of feature information. This work adequately exploits the underlying prior information that feature information exhibits nonlocal self-similarity through clustering similar signal fragments and stacking them together into groups. Within this framework, the prior information is transformed into a regularization term and a sparse optimization problem, which could be solved through block coordinate descent method (BCD), is formulated. Additionally, the adaptive structural clustering sparse dictionary learning technique, which utilizes k-Nearest-Neighbor (kNN) clustering and principal component analysis (PCA) learning, is adopted to further enable sufficient sparsity of feature information. Moreover, the selection rule of regularization parameter and computational complexity are described in detail. The performance of the proposed framework is evaluated through numerical experiment and its superiority with respect to the state-of-the-art method in the field is demonstrated through the vibration signals of experimental rig of aircraft engine bearings.

Kinetic analyses of vasculogenesis inform mechanistic studies

PubMed Central

Winfree, Seth; Chu, Chenghao; Tu, Wanzhu; Blue, Emily K.; Gohn, Cassandra R.; Dunn, Kenneth W.

2017-01-01

Vasculogenesis is a complex process by which endothelial stem and progenitor cells undergo de novo vessel formation. Quantitative assessment of vasculogenesis is a central readout of endothelial progenitor cell functionality. However, current assays lack kinetic measurements. To address this issue, new approaches were developed to quantitatively assess in vitro endothelial colony-forming cell (ECFC) network formation in real time. Eight parameters of network structure were quantified using novel Kinetic Analysis of Vasculogenesis (KAV) software. KAV assessment of structure complexity identified two phases of network formation. This observation guided the development of additional vasculogenic readouts. A tissue cytometry approach was established to quantify the frequency and localization of dividing ECFCs. Additionally, Fiji TrackMate was used to quantify ECFC displacement and speed at the single-cell level during network formation. These novel approaches were then implemented to identify how intrauterine exposure to maternal diabetes mellitus (DM) impairs fetal ECFC vasculogenesis. Fetal ECFCs exposed to maternal DM form fewer initial network structures, which are not stable over time. Correlation analyses demonstrated that ECFC samples with greater division in branches form fewer closed network structures. Additionally, reductions in average ECFC movement over time decrease structural connectivity. Identification of these novel phenotypes utilizing the newly established methodologies provides evidence for the cellular mechanisms contributing to aberrant ECFC vasculogenesis. PMID:28100488

Arecibo Radar Observations of Near-Earth Asteroids: A Study in Heterogeneity

NASA Technical Reports Server (NTRS)

Nolan, M. C.; Howell, E. S.; Margot J.-L.; Ostro, S. J; Benner, L. A. M.; Giorgini, J. D.; Campbell, D. B.

2002-01-01

Characterization of the rotation state and structure of near-Earth asteroids through radar observations using the Arecibo and Goldstone planetary radar systems shows the remarkable variety of these objects, and suggests variety of formation and modification mechanisms. Additional information is contained in the original extended abstract.

76 FR 59472 - Self-Regulatory Organizations; International Securities Exchange, Inc., Order Granting Approval...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-26

... documentation to evaluate whether a member has implemented processes that are reasonably designed to prevent the flow of pre-trade order information given the particular structure of the member firm. Additionally... the public interest and are not designed to permit unfair discrimination between customers, issuers...

75 FR 37781 - Energy Employees Occupational Illness Compensation Program Act of 2000; Revision to List of...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-30

... management and operation, management and integration, environmental remediation services, construction, or... such building, structure, or premise is located--(A) in which operations are, or have been, conducted... covered operations took place to reflect recently discovered information. In addition, the covered time...

Genome-wide informative microsatellite database and global population structure of Fusarium virguliforme

USDA-ARS?s Scientific Manuscript database

Sudden death syndrome is one of the leading biotic stresses responsible for soybean yield loss in major soybean production areas. In North America, the disease is caused by the fungus Fusarium virguliforme, while in South America additional Fusarium species cause similar symptoms. Breeding for SDS r...

OCCUPATIONAL EDUCATION--PLANNING AND PROGRAMMING. VOLUME TWO.

ERIC Educational Resources Information Center

KOTZ, ARNOLD

ADDITIONAL POSITION PAPERS BASED ON INFORMATION GATHERED IN THE RECONNAISSANCE SURVEYS OF PLANNING AND PROGRAMING IN OCCUPATIONAL EDUCATION, REPORTED IN VOLUME ONE (VT 005 041), ARE PRESENTED. PART IV, CONCERNED WITH PROGRAM STRUCTURE AND BUDGETING AND THEIR RELATION TO THE PLANNING PROCESS, INCLUDES THE PAPERS--(1) "CURRENT POLICIES AND…

Data-Driven Decision Making in Community Colleges: An Integrative Model for Institutional Effectiveness

ERIC Educational Resources Information Center

Callery, Claude Adam

2012-01-01

This qualitative study identified the best practices utilized by community colleges to achieve systemic and cultural agreement in support of the integration of institutional effectiveness measures (key performance indicators) to inform decision making. In addition, the study identifies the relevant motives, organizational structure, and processes…

STRUCTURES, ROTATIONAL BARRIERS AND THERMODYNAMIC PROPERTIES OF C2 VINYL AND CHLOROVINYL ALCOHOLS AND ADDITIVITY GROUPS. (R826371C009)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

STRUCTURES, ROTATIONAL BARRIERS AND THERMODYNAMIC PROPERTIES OF C2 VINYL AND CHLOROVINYL ALCOHOLS AND ADDITIVITY GROUPS. (R824970)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

76 FR 5370 - Potential Addition of Vapor Intrusion Component to the Hazard Ranking System

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-31

... structures through the subsurface environment and thus, enabling sites with vapor intrusion contamination to... contamination to be included in an HRS evaluation. Presented below is background information on the HRS, its... facility, the potential for contamination of drinking water supplies, direct human contact, destruction of...

78 FR 21632 - Investigative Hearing

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-11

... goals of this hearing will be to gather additional information on the selection of the lithium ion (Li- ion) battery technology and how this new technology was evaluated, the role of the prime contractor... structure and findings of compliance for the Boeing 787 Li-ion battery system. Parties to the hearing...

Rhenium and Iridium Partitioning in Silicate and Magmatic Spinels: Implications for Planetary Magmatism and Mantles

NASA Technical Reports Server (NTRS)

Righter, K.

2001-01-01

Highly siderophile elements Re, Ru and Ir partition strongly into spinel structures with large octahedral sites. New experimental results for both magmatic and silicate spinels will be presented with a few planetary implications. Additional information is contained in the original extended abstract.

Engineering 2.0: Exploring Lightweight Technologies for the Virtual Enterprise

NASA Astrophysics Data System (ADS)

Larsson, Andreas; Ericson, Åsa; Larsson, Tobias; Isaksson, Ola; Bertoni, Marco

In a traditional business partnership, the partner companies are under contractual obligation to share data, information, and knowledge through one or several information systems that the leading firm decides. In such a case, the issue of sharing "whatever needs to be shared" is settled in contracts before any action is taken, however, also giving the implications that sharing expertise becomes a heavy and time-consuming activity. In turn, it can be argued that the heavy administration affects the lead time of product development negatively since the necessary input flows are delayed. In addition, the adaptation to certain predefined collaborative information systems is both expensive and resource-consuming (e.g., educating staff to use them). Also, the system might not be adaptable to the existing internal technology structure, causing a "translation" procedure, again taking up resources. Another structure for collaboration is a network or alliance of independent partner companies. One motivation for a network structure is that the partners can join or leave it more easily. A reason for joining and staying is an implicit sense of knowledge sharing (Tomkins 2001) and access to a "win-win" environment. Furthermore, the partners can be linked by information technology, i.e., forming a virtual ­structure rather than a physical one. The technologies provide the channels with additional knowledge. In a best-case scenario, a company would get access to a wide range of useful competences, and in a worst-case scenario the company would be drained of its core competences. Accordingly, at least two considerations for joining a partner network can be considered. First, the resources needed to couple the technologies have to be reasonable, due to the underpinning logic of going in and out of more than one network. Second, the company has to identify its knowledge base and evaluate the prospective gains and losses of sharing its expertise.

RadPath: A Web-based System for Integrating and Correlating Radiology and Pathology Findings During Cancer Diagnosis.

PubMed

Arnold, Corey W; Wallace, W Dean; Chen, Shawn; Oh, Andrea; Abtin, Fereidoun; Genshaft, Scott; Binder, Scott; Aberle, Denise; Enzmann, Dieter

2016-01-01

The current paradigm of cancer diagnosis involves uncoordinated communication of findings from radiology and pathology to downstream physicians. Discordance between these findings can require additional time from downstream users to resolve, or given incorrect resolution, may adversely impact treatment decisions. To mitigate this problem, we developed a web-based system, called RadPath, for correlating and integrating radiology and pathology reporting. RadPath includes interfaces to our institution's clinical information systems, which are used to retrieve reports, images, and test results that are structured into an interactive compendium for a diagnostic patient case. The system includes an editing interface for physicians, allowing for the inclusion of additional clinical data, as well as the ability to retrospectively correlate and contextualize imaging findings following pathology diagnosis. During pilot deployment and testing over the course of 1 year, physicians at our institution have completed 60 RadPath cases, requiring an average of 128 seconds from a radiologist and an average of 93 seconds from a pathologist per case. Several technical and workflow challenges were encountered during development, including interfacing with diverse clinical information systems, automatically structuring report contents, and determining the appropriate physicians to create RadPath summaries. Reaction to RadPath has been positive, with users valuing the system's ability to consolidate diagnostic information. With the increasing complexity of medicine and the movement toward team-based disease management, there is a need for improved clinical communication and information exchange. RadPath provides a platform for generating coherent and correlated diagnostic summaries in cancer diagnosis with minimal additional effort from physicians. Copyright © 2016 The Association of University Radiologists. Published by Elsevier Inc. All rights reserved.

Application toward Confocal Full-Field Microscopic X-ray Absorption Near Edge Structure Spectroscopy.

PubMed

Tack, Pieter; Vekemans, Bart; Laforce, Brecht; Rudloff-Grund, Jennifer; Hernández, Willinton Y; Garrevoet, Jan; Falkenberg, Gerald; Brenker, Frank; Van Der Voort, Pascal; Vincze, Laszlo

2017-02-07

Using X-ray absorption near edge structure (XANES) spectroscopy, information on the local chemical structure and oxidation state of an element of interest can be acquired. Conventionally, this information can be obtained in a spatially resolved manner by scanning a sample through a focused X-ray beam. Recently, full-field methods have been developed to obtain direct 2D chemical state information by imaging a large sample area. These methods are usually in transmission mode, thus restricting the use to thin and transmitting samples. Here, a fluorescence method is displayed using an energy-dispersive pnCCD detector, the SLcam, characterized by measurement times far superior to what is generally applicable. Additionally, this method operates in confocal mode, thus providing direct 3D spatially resolved chemical state information from a selected subvolume of a sample, without the need of rotating a sample. The method is applied to two samples: a gold-supported magnesia catalyst (Au/MgO) and a natural diamond containing Fe-rich inclusions. Both samples provide XANES spectra that can be overlapped with reference XANES spectra, allowing this method to be used for fingerprinting and linear combination analysis of known XANES reference compounds.

[Intraprofessional communication during shift change].

PubMed

Martín Pérez, Sonsoles; Vázquez Calatayud, Mónica; Lizarraga Ursúa, Yolanta; Oroviogoicoechea Ortega, Cristina

2013-05-01

Effective communication between professionals is crucial to ensure patient safety. 1) Explore the intraprofessional communication process during nurse shift change; 2) identify improvement strategies to facilitate optimal communication process. Exploratory study conducted from January to May 2011 in an intermediate unit. There were performed 16 structured observations of the communication process and 4 semistructured interviews and 16 anonymous surveys (designed by the evidence, interviews and observations) to the nurses who agreed to participate in the study. Strengths: complete process and the usefulness of the computer record. lack of common structure, repetition and forgetfulness of information, numerous interruptions during the process and noise. The 68.75% of nurses said that part of the transmitted information was irrelevant and too long. All of them perceived the need for changes in the existing process. Some strategies were identified to improve the development of a guide based on the mnemonic SBAR. It was adapted to the structure of the software as well as a change in location for the transmission of information. We propose to have an effective intraprofessional communication in order to ensure patient safety. In addition the transmission of information during the shift change should be done through a systematic process in a quiet place without interruptions.

Insights from molecular dynamics simulations for computational protein design.

PubMed

Childers, Matthew Carter; Daggett, Valerie

2017-02-01

A grand challenge in the field of structural biology is to design and engineer proteins that exhibit targeted functions. Although much success on this front has been achieved, design success rates remain low, an ever-present reminder of our limited understanding of the relationship between amino acid sequences and the structures they adopt. In addition to experimental techniques and rational design strategies, computational methods have been employed to aid in the design and engineering of proteins. Molecular dynamics (MD) is one such method that simulates the motions of proteins according to classical dynamics. Here, we review how insights into protein dynamics derived from MD simulations have influenced the design of proteins. One of the greatest strengths of MD is its capacity to reveal information beyond what is available in the static structures deposited in the Protein Data Bank. In this regard simulations can be used to directly guide protein design by providing atomistic details of the dynamic molecular interactions contributing to protein stability and function. MD simulations can also be used as a virtual screening tool to rank, select, identify, and assess potential designs. MD is uniquely poised to inform protein design efforts where the application requires realistic models of protein dynamics and atomic level descriptions of the relationship between dynamics and function. Here, we review cases where MD simulations was used to modulate protein stability and protein function by providing information regarding the conformation(s), conformational transitions, interactions, and dynamics that govern stability and function. In addition, we discuss cases where conformations from protein folding/unfolding simulations have been exploited for protein design, yielding novel outcomes that could not be obtained from static structures.

Insights from molecular dynamics simulations for computational protein design

PubMed Central

Childers, Matthew Carter; Daggett, Valerie

2017-01-01

A grand challenge in the field of structural biology is to design and engineer proteins that exhibit targeted functions. Although much success on this front has been achieved, design success rates remain low, an ever-present reminder of our limited understanding of the relationship between amino acid sequences and the structures they adopt. In addition to experimental techniques and rational design strategies, computational methods have been employed to aid in the design and engineering of proteins. Molecular dynamics (MD) is one such method that simulates the motions of proteins according to classical dynamics. Here, we review how insights into protein dynamics derived from MD simulations have influenced the design of proteins. One of the greatest strengths of MD is its capacity to reveal information beyond what is available in the static structures deposited in the Protein Data Bank. In this regard simulations can be used to directly guide protein design by providing atomistic details of the dynamic molecular interactions contributing to protein stability and function. MD simulations can also be used as a virtual screening tool to rank, select, identify, and assess potential designs. MD is uniquely poised to inform protein design efforts where the application requires realistic models of protein dynamics and atomic level descriptions of the relationship between dynamics and function. Here, we review cases where MD simulations was used to modulate protein stability and protein function by providing information regarding the conformation(s), conformational transitions, interactions, and dynamics that govern stability and function. In addition, we discuss cases where conformations from protein folding/unfolding simulations have been exploited for protein design, yielding novel outcomes that could not be obtained from static structures. PMID:28239489

Construction of a multimodal CT-video chest model

NASA Astrophysics Data System (ADS)

Byrnes, Patrick D.; Higgins, William E.

2014-03-01

Bronchoscopy enables a number of minimally invasive chest procedures for diseases such as lung cancer and asthma. For example, using the bronchoscope's continuous video stream as a guide, a physician can navigate through the lung airways to examine general airway health, collect tissue samples, or administer a disease treatment. In addition, physicians can now use new image-guided intervention (IGI) systems, which draw upon both three-dimensional (3D) multi-detector computed tomography (MDCT) chest scans and bronchoscopic video, to assist with bronchoscope navigation. Unfortunately, little use is made of the acquired video stream, a potentially invaluable source of information. In addition, little effort has been made to link the bronchoscopic video stream to the detailed anatomical information given by a patient's 3D MDCT chest scan. We propose a method for constructing a multimodal CT-video model of the chest. After automatically computing a patient's 3D MDCT-based airway-tree model, the method next parses the available video data to generate a positional linkage between a sparse set of key video frames and airway path locations. Next, a fusion/mapping of the video's color mucosal information and MDCT-based endoluminal surfaces is performed. This results in the final multimodal CT-video chest model. The data structure constituting the model provides a history of those airway locations visited during bronchoscopy. It also provides for quick visual access to relevant sections of the airway wall by condensing large portions of endoscopic video into representative frames containing important structural and textural information. When examined with a set of interactive visualization tools, the resulting fused data structure provides a rich multimodal data source. We demonstrate the potential of the multimodal model with both phantom and human data.

A short guide to giving bad news.

PubMed

Mitchell, Jeffrey T

2008-01-01

Approaching an individual or a family with bad news, but without an appropriate plan to present the information in a structured manner, is almost a guarantee of greater emotional pain and disruption for the recipients of the news. Crisis interveners must develop a strategic plan for the announcement of bad news. That plan should entail a lead-up phase, a transmission phase, and a followup phase. The lead-up phase encompasses the gathering of accurate, verifiable information and the clear identification of the targets of the information. The transmission phase includes immediate preparation for the presentation of the information, the actual announcement, and the presentation of additional details as questions arise. The follow-up phase includes a range of supportive interventions to assist people in the immediate crisis reaction. It also includes a system of referrals for people who might benefit from additional professional care. This article provides practical guidelines for providing bad news to the loved ones of injured, ill, or deceased people.

The impact of extended longitudinal observation on the assessment of personality disorders.

PubMed

Pedersen, G; Karterud, S; Hummelen, B; Wilberg, T

2013-11-01

Multiple sources of information are necessary for a valid assessment of personality disorders (PDs). This study investigates the impact of longitudinal observation. The sample comprised 1217 patients from 15 different treatment units. PDs were assessed at admission to treatment using the Structured Clinical Interview for DSM-IV Axis II Personality Disorders (SCID-II) and additional clinical information (best estimate diagnosis). After approximately 18 weeks of treatment, the SCID-II protocols were re-examined at clinical conferences and the diagnostic status reassessed on the basis of longitudinal observations in multiple group situations (longitudinal, expert, all data principle). Using this procedure, 78% of the patients' diagnostic criteria sets were changed, and 32% of patients' diagnostic statuses were changed. Many (32%) patients who were evaluated initially as not having a PD received a PD diagnosis after re-examination. The information provided by customary clinical assessment has important limitations, and longitudinal observation provides additional information that may change the diagnostic status in approximately one-third of PD cases. Copyright © 2013 John Wiley & Sons, Ltd.

Communication and Organization in Software Development: An Empirical Study

NASA Technical Reports Server (NTRS)

Seaman, Carolyn B.; Basili, Victor R.

1996-01-01

The empirical study described in this paper addresses the issue of communication among members of a software development organization. The independent variables are various attributes of organizational structure. The dependent variable is the effort spent on sharing information which is required by the software development process in use. The research questions upon which the study is based ask whether or not these attributes of organizational structure have an effect on the amount of communication effort expended. In addition, there are a number of blocking variables which have been identified. These are used to account for factors other than organizational structure which may have an effect on communication effort. The study uses both quantitative and qualitative methods for data collection and analysis. These methods include participant observation, structured interviews, and graphical data presentation. The results of this study indicate that several attributes of organizational structure do affect communication effort, but not in a simple, straightforward way. In particular, the distances between communicators in the reporting structure of the organization, as well as in the physical layout of offices, affects how quickly they can share needed information, especially during meetings. These results provide a better understanding of how organizational structure helps or hinders communication in software development.

Exploring the measurement structure of the Gambling Related Cognitions Scale (GRCS) in treatment-seekers: A Bayesian structural equation modelling approach.

PubMed

Smith, David; Woodman, Richard; Drummond, Aaron; Battersby, Malcolm

2016-03-30

Knowledge of a problem gambler's underlying gambling related cognitions plays an important role in treatment planning. The Gambling Related Cognitions Scale (GRCS) is therefore frequently used in clinical settings for screening and evaluation of treatment outcomes. However, GRCS validation studies have generated conflicting results regarding its latent structure using traditional confirmatory factor analyses (CFA). This may partly be due to the rigid constraints imposed on cross-factor loadings with traditional CFA. The aim of this investigation was to determine whether a Bayesian structural equation modelling (BSEM) approach to examination of the GRCS factor structure would better replicate substantive theory and also inform model re-specifications. Participants were 454 treatment-seekers at first presentation to a gambling treatment centre between January 2012 and December 2014. Model fit indices were well below acceptable standards for CFA. In contrast, the BSEM model which included small informative priors for the residual covariance matrix in addition to cross-loadings produced excellent model fit for the original hypothesised factor structure. The results also informed re-specification of the CFA model which provided more reasonable model fit. These conclusions have implications that should be useful to both clinicians and researchers evaluating measurement models relating to gambling related cognitions in treatment-seekers. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Characterising protein, salt and water interactions with combined vibrational spectroscopic techniques.

PubMed

Perisic, Nebojsa; Afseth, Nils Kristian; Ofstad, Ragni; Hassani, Sahar; Kohler, Achim

2013-05-01

In this paper a combination of NIR spectroscopy and FTIR and Raman microspectroscopy was used to elucidate the effects of different salts (NaCl, KCl and MgSO(4)) on structural proteins and their hydration in muscle tissue. Multivariate multi-block technique Consensus Principal Component Analysis enabled integration of different vibrational spectroscopic techniques: macroscopic information obtained by NIR spectroscopy is directly related to microscopic information obtained by FTIR and Raman microspectroscopy. Changes in protein secondary structure observed at different concentrations of salts were linked to changes in protein hydration affinity. The evidence for this was given by connecting the underlying FTIR bands of the amide I region (1700-1600 cm(-1)) and the water region (3500-3000 cm(-1)) with water vibrations obtained by NIR spectroscopy. In addition, Raman microspectroscopy demonstrated that different cations affected structures of aromatic amino acid residues differently, which indicates that cation-π interactions play an important role in determination of the final structure of protein molecules. Copyright © 2012 Elsevier Ltd. All rights reserved.

Structural Characterization of Mannan Cell Wall Polysaccharides in Plants Using PACE

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

Pidatala, Venkataramana R.; Mahboubi, Amir; Mortimer, Jenny C.

Plant cell wall polysaccharides are notoriously difficult to analyze, and most methods require expensive equipment, skilled operators, and large amounts of purified material. Here, we describe a simple method for gaining detailed polysaccharide structural information, including resolution of structural isomers. For polysaccharide analysis by gel electrophoresis (PACE), plant cell wall material is hydrolyzed with glycosyl hydrolases specific to the polysaccharide of interest (e.g., mannanases for mannan). Large format polyacrylamide gels are then used to separate the released oligosaccharides, which have been fluorescently labeled. Gels can be visualized with a modified gel imaging system (see Table of Materials). The resulting oligosaccharidemore » fingerprint can either be compared qualitatively or, with replication, quantitatively. Linkage and branching information can be established using additional glycosyl hydrolases (e.g., mannosidases and galactosidases). Whilst this protocol describes a method for analyzing glucomannan structure, it can be applied to any polysaccharide for which characterized glycosyl hydrolases exist. Alternatively, it can be used to characterize novel glycosyl hydrolases using defined polysaccharide substrates.« less

Structural Characterization of Mannan Cell Wall Polysaccharides in Plants Using PACE.

PubMed

Pidatala, Venkataramana R; Mahboubi, Amir; Mortimer, Jenny C

2017-10-16

Plant cell wall polysaccharides are notoriously difficult to analyze, and most methods require expensive equipment, skilled operators, and large amounts of purified material. Here, we describe a simple method for gaining detailed polysaccharide structural information, including resolution of structural isomers. For polysaccharide analysis by gel electrophoresis (PACE), plant cell wall material is hydrolyzed with glycosyl hydrolases specific to the polysaccharide of interest (e.g., mannanases for mannan). Large format polyacrylamide gels are then used to separate the released oligosaccharides, which have been fluorescently labeled. Gels can be visualized with a modified gel imaging system (see Table of Materials). The resulting oligosaccharide fingerprint can either be compared qualitatively or, with replication, quantitatively. Linkage and branching information can be established using additional glycosyl hydrolases (e.g., mannosidases and galactosidases). Whilst this protocol describes a method for analyzing glucomannan structure, it can be applied to any polysaccharide for which characterized glycosyl hydrolases exist. Alternatively, it can be used to characterize novel glycosyl hydrolases using defined polysaccharide substrates.

Structural Characterization of Mannan Cell Wall Polysaccharides in Plants Using PACE

DOE PAGES

Pidatala, Venkataramana R.; Mahboubi, Amir; Mortimer, Jenny C.

2017-10-16

Plant cell wall polysaccharides are notoriously difficult to analyze, and most methods require expensive equipment, skilled operators, and large amounts of purified material. Here, we describe a simple method for gaining detailed polysaccharide structural information, including resolution of structural isomers. For polysaccharide analysis by gel electrophoresis (PACE), plant cell wall material is hydrolyzed with glycosyl hydrolases specific to the polysaccharide of interest (e.g., mannanases for mannan). Large format polyacrylamide gels are then used to separate the released oligosaccharides, which have been fluorescently labeled. Gels can be visualized with a modified gel imaging system (see Table of Materials). The resulting oligosaccharidemore » fingerprint can either be compared qualitatively or, with replication, quantitatively. Linkage and branching information can be established using additional glycosyl hydrolases (e.g., mannosidases and galactosidases). Whilst this protocol describes a method for analyzing glucomannan structure, it can be applied to any polysaccharide for which characterized glycosyl hydrolases exist. Alternatively, it can be used to characterize novel glycosyl hydrolases using defined polysaccharide substrates.« less

The development and psychometric properties of an informant-report form of the personality inventory for DSM-5 (PID-5).

PubMed

Markon, Kristian E; Quilty, Lena C; Bagby, R Michael; Krueger, Robert F

2013-06-01

The current article reports on the development, psychometric properties, and external validity of an informant-report form of the Personality Inventory for DSM-5 (the PID-5-IRF). Using data from two nationally representative samples, as well as an elevated-risk community sample, we report on the PID-5-IRF item characteristics, scale properties, superordinate factor structure, and correlations with other measures. The PID-5-IRF replicates the factor structure of the self-report form and has relationships with other measures (including the PID-5 self-report form and a widely used Big Five measure) that are consistent with previous research and theory. We believe that the PID-5-IRF is a useful measure for a number of scenarios, such as when additional sources of information are desired, where informant measures are expected to provide incremental validity over self-report, where relationships or social perception is a focal interest, or when response bias is a salient concern. Areas for future research are also discussed.

A Study on the Secure User Profiling Structure and Procedure for Home Healthcare Systems.

PubMed

Ko, Hoon; Song, MoonBae

2016-01-01

Despite of various benefits such as a convenience and efficiency, home healthcare systems have some inherent security risks that may cause a serious leak on personal health information. This work presents a Secure User Profiling Structure which has the patient information including their health information. A patient and a hospital keep it at that same time, they share the updated data. While they share the data and communicate, the data can be leaked. To solve the security problems, a secure communication channel with a hash function and an One-Time Password between a client and a hospital should be established and to generate an input value to an OTP, it uses a dual hash-function. This work presents a dual hash function-based approach to generate the One-Time Password ensuring a secure communication channel with the secured key. In result, attackers are unable to decrypt the leaked information because of the secured key; in addition, the proposed method outperforms the existing methods in terms of computation cost.

Students using visual thinking to learn science in a Web-based environment

NASA Astrophysics Data System (ADS)

Plough, Jean Margaret

United States students' science test scores are low, especially in problem solving, and traditional science instruction could be improved. Consequently, visual thinking, constructing science structures, and problem solving in a web-based environment may be valuable strategies for improving science learning. This ethnographic study examined the science learning of fifteen fourth grade students in an after school computer club involving diverse students at an inner city school. The investigation was done from the perspective of the students, and it described the processes of visual thinking, web page construction, and problem solving in a web-based environment. The study utilized informal group interviews, field notes, Visual Learning Logs, and student web pages, and incorporated a Standards-Based Rubric which evaluated students' performance on eight science and technology standards. The Visual Learning Logs were drawings done on the computer to represent science concepts related to the Food Chain. Students used the internet to search for information on a plant or animal of their choice. Next, students used this internet information, with the information from their Visual Learning Logs, to make web pages on their plant or animal. Later, students linked their web pages to form Science Structures. Finally, students linked their Science Structures with the structures of other students, and used these linked structures as models for solving problems. Further, during informal group interviews, students answered questions about visual thinking, problem solving, and science concepts. The results of this study showed clearly that (1) making visual representations helped students understand science knowledge, (2) making links between web pages helped students construct Science Knowledge Structures, and (3) students themselves said that visual thinking helped them learn science. In addition, this study found that when using Visual Learning Logs, the main overall ideas of the science concepts were usually represented accurately. Further, looking for information on the internet may cause new problems in learning. Likewise, being absent, starting late, and/or dropping out all may negatively influence students' proficiency on the standards. Finally, the way Science Structures are constructed and linked may provide insights into the way individual students think and process information.

A structural and theoretical study of the alkylammonium nitrates forefather: Liquid methylammonium nitrate

NASA Astrophysics Data System (ADS)

Gontrani, Lorenzo; Caminiti, Ruggero; Salma, Umme; Campetella, Marco

2017-09-01

We present here a structural and vibrational analysis of melted methylammonium nitrate, the simplest compound of the family of alkylammonium nitrates. The static and dynamical features calculated were endorsed by comparing the experimental X-ray data with the theoretical ones. A reliable description cannot be obtained with classical molecular dynamics owing to polarization effects. Contrariwise, the structure factor and the vibrational frequencies obtained from ab initio molecular dynamics trajectories are in very good agreement with the experiment. A careful analysis has provided additional information on the complex hydrogen bonding network that exists in this liquid.

A generalized analysis of hydrophobic and loop clusters within globular protein sequences

PubMed Central

Eudes, Richard; Le Tuan, Khanh; Delettré, Jean; Mornon, Jean-Paul; Callebaut, Isabelle

2007-01-01

Background Hydrophobic Cluster Analysis (HCA) is an efficient way to compare highly divergent sequences through the implicit secondary structure information directly derived from hydrophobic clusters. However, its efficiency and application are currently limited by the need of user expertise. In order to help the analysis of HCA plots, we report here the structural preferences of hydrophobic cluster species, which are frequently encountered in globular domains of proteins. These species are characterized only by their hydrophobic/non-hydrophobic dichotomy. This analysis has been extended to loop-forming clusters, using an appropriate loop alphabet. Results The structural behavior of hydrophobic cluster species, which are typical of protein globular domains, was investigated within banks of experimental structures, considered at different levels of sequence redundancy. The 294 more frequent hydrophobic cluster species were analyzed with regard to their association with the different secondary structures (frequencies of association with secondary structures and secondary structure propensities). Hydrophobic cluster species are predominantly associated with regular secondary structures, and a large part (60 %) reveals preferences for α-helices or β-strands. Moreover, the analysis of the hydrophobic cluster amino acid composition generally allows for finer prediction of the regular secondary structure associated with the considered cluster within a cluster species. We also investigated the behavior of loop forming clusters, using a "PGDNS" alphabet. These loop clusters do not overlap with hydrophobic clusters and are highly associated with coils. Finally, the structural information contained in the hydrophobic structural words, as deduced from experimental structures, was compared to the PSI-PRED predictions, revealing that β-strands and especially α-helices are generally over-predicted within the limits of typical β and α hydrophobic clusters. Conclusion The dictionary of hydrophobic clusters described here can help the HCA user to interpret and compare the HCA plots of globular protein sequences, as well as provides an original fundamental insight into the structural bricks of protein folds. Moreover, the novel loop cluster analysis brings additional information for secondary structure prediction on the whole sequence through a generalized cluster analysis (GCA), and not only on regular secondary structures. Such information lays the foundations for developing a new and original tool for secondary structure prediction. PMID:17210072

The use of semi-structured interviews for the characterisation of farmer irrigation practices

NASA Astrophysics Data System (ADS)

O'Keeffe, Jimmy; Buytaert, Wouter; Mijic, Ana; Brozović, Nicholas; Sinha, Rajiv

2016-05-01

For the development of sustainable and realistic water security, generating information on the behaviours, characteristics, and drivers of users, as well as on the resource itself, is essential. In this paper we present a methodology for collecting qualitative and quantitative data on water use practices through semi-structured interviews. This approach facilitates the collection of detailed information on actors' decisions in a convenient and cost-effective manner. Semi-structured interviews are organised around a topic guide, which helps lead the conversation in a standardised way while allowing sufficient opportunity for relevant issues to emerge. In addition, they can be used to obtain certain types of quantitative data. While not as accurate as direct measurements, they can provide useful information on local practices and users' insights. We present an application of the methodology on farmer water use in two districts in the state of Uttar Pradesh in northern India. By means of 100 farmer interviews, information was collected on various aspects of irrigation practices, including irrigation water volumes, irrigation cost, water source, and their spatial variability. Statistical analyses of the information, along with data visualisation, are also presented, indicating a significant variation in irrigation practices both within and between districts. Our application shows that semi-structured interviews are an effective and efficient method of collecting both qualitative and quantitative information for the assessment of drivers, behaviours, and their outcomes in a data-scarce region. The collection of this type of data could significantly improve insights on water resources, leading to more realistic management options and increased water security in the future.

The use of semi-structured interviews for the characterisation of farmer irrigation practices

NASA Astrophysics Data System (ADS)

O'Keeffe, J.; Buytaert, W.; Mijic, A.; Brozovic, N.; Sinha, R.

2015-08-01

Generating information on the behaviours, characteristics and drivers of users, as well on the resource itself, is vital in developing sustainable and realistic water security options. In this paper we present a methodology for collecting qualitative and quantitative data on water use practices through semi-structured interviews. This approach facilitates the collection of detailed information on actors' decisions in a convenient and cost-effective manner. The interview is organised around a topic guide, which helps lead the conversation in a standardised way while allowing sufficient opportunity to identify relevant issues previously unknown to the researcher. In addition, semi-structured interviews can be used to obtain certain types of quantitative data. While not as accurate as direct measurements, it can provide useful information on local practices and farmers' insights. We present an application of the methodology on two districts in the State of Uttar Pradesh in North India. By means of 100 farmer interviews, information was collected on various aspects of irrigation practices, including irrigation water volumes, irrigation cost, water source and their spatial variability. A statistical analysis of the information, along with some data visualisation is also presented, which highlights a significant variation in irrigation practices both within and between the districts. Our application shows that semi-structured interviews are an effective and efficient method of collecting both qualitative and quantitative information for the assessment of drivers, behaviours and their outcomes in a data scarce region. The collection of this type of data could significantly improve insight on water resources, leading to more realistic management options and increased water security in the future.

The Dams and Monitoring Systems and Case Study: Ataturk and Karakaya Dams

NASA Astrophysics Data System (ADS)

Kalkan, Y.; Bilgi, S.; Gülnerman, A. G.

2017-12-01

Dams are among the most important engineering structures used for flood controls, agricultural purposes as well as drinking and hydroelectric power. Especially after the Second World War, developments on the construction technology, increase the construction of larger capacity dams. There are more than 150.000 dams in the world and almost 1000 dams in Turkey, according to international criteria. Although dams provide benefits to humans, they possess structural risks too. To determine the performance of dams on structural safety, assessing the spatial data is very important. These are movement, water pressure, seepage, reservoir and tail-water elevations, local seismic activities, total pressure, stress and strain, internal concrete temperature, ambient temperature and precipitation. These physical data are measured and monitored by the instruments and equipment. Dams and their surroundings have to be monitored by using essential methods at periodic time intervals in order to determine the possible changes that may occur over the time. Monitoring programs typically consist of; surveillance or visual observation. These programs on dams provide information for evaluating the dam's performance related to the design intent and expected changes that could affect the safety performance of the dam. Additionally, these programs are used for investigating and evaluating the abnormal or degrading performance where any remedial action is necessary. Geodetic and non-geodetic methods are used for monitoring. Monitoring the performance of the dams is critical for producing and maintaining the safe dams. This study provides some general information on dams and their different monitoring systems by taking into account two different dams and their structural specifications with the required information. The case study in this paper depends on a comparison of the monitoring surveys on Atatürk Dam and Karakaya Dam, which are constructed on Firat River with two different structural type in Turkey. In addition, brief information is given about these dams and the methods of geodetic and non-geodetic monitoring measurements applied by various disciplines. The last part of the study focuses on the inference of the geodetic monitoring methods, which depend on a seven years of geodetic monitoring.

Clerodane diterpenes: sources, structures, and biological activities†

PubMed Central

Li, Rongtao; Morris-Natschke, Susan L.; Lee, Kuo-Hsiung

2016-01-01

The clerodane diterpenoids are a widespread class of secondary metabolites and have been found in several hundreds of plant species from various families and in organisms from other taxonomic groups. These substances have attracted interest in recent years due to their notable biological activities, particularly insect antifeedant properties. In addition, the major active clerodanes of Salvia divinorum can be used as novel opioid receptor probes, allowing greater insight into opioid receptor-mediated phenomena, as well as opening additional areas for chemical investigation. This article provides extensive coverage of naturally occurring clerodane diterpenes discovered from 1990 until 2015, and follows up on the 1992 review by Merritt and Ley in this same journal. The distribution, chemotaxonomic significance, chemical structures, and biological activities of clerodane diterpenes are summarized. In the cases where sufficient information is available, structure activity relationship (SAR) correlations and mode of action of active clerodanes have been presented. PMID:27433555

Consumer acceptance of a quick response (QR) code for the food traceability system: Application of an extended technology acceptance model (TAM).

PubMed

Kim, Yeong Gug; Woo, Eunju

2016-07-01

The objectives of this study are to apply the TAM using the addition of perceived information to individuals' behavioral intention to use the QR code for the food traceability system; and to determine the moderating effects of food involvement on the relationship between perceived information and perceived usefulness. Results from a survey of 420 respondents are analyzed using structural equation modeling. The study findings reveal that the extended TAM has a satisfactory fit to the data and that the underlying dimensions have a significant effect on consumers' intention to use the QR code for the food traceability system. In addition, food involvement plays a significant moderating function in the relationship between perceived information and perceived usefulness. The implications of this study for future research are discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

OPTICAL INFORMATION PROCESSING: Modulation—spectral analysis of an image transmitted across a distorting medium

NASA Astrophysics Data System (ADS)

Zubov, Vladimir A.; Mironova, T. V.

1998-05-01

The task of simultaneous determination of the structure and characteristics of a two-dimensional amplitude—phase signal and a two-dimensional complex transfer or instrumental function is considered. The solution is based on determination of four independent intensity distributions of spectral representations of the signal Isr(ωx, ωy) subjected to the action of the transfer function, of the signal Ismr(ωx, ωy which) has experienced additional modulation applied in a certain manner and the action of the transfer function, of the signal Isrn(ωx, ωy) representing the signal Isr(ωx, ωy) with certain additional modulation at the output, and of the signal Ismrn(ωx, ωy) which is the signal Ismr(ωx, ωy) with certain additional modulation at the output. These intensity distributions make it possible to calculate the amplitude and phase components of the image being analysed and of the transfer function. Additional modulations should in some way ensure visualisation of the phase information. A specific type of additional spatial modulation, in the form of linear amplitude, is discussed.

Evaluation of nonmetallic thermal protection materials for the manned space shuttle. Volume 1, task 1: Assessment of technical risks associated with utilization of nonmetallic thermal protection system

NASA Technical Reports Server (NTRS)

Wilkinson, W. H.; Kirkhart, F. P.; Kistler, C. W.; Duckworth, W. H.; Ungar, E. W.; Foster, E. L.

1970-01-01

Technical problems of design and flight qualification of the proposed classes of surface insulation materials and leading edge materials were reviewed. A screening test plan, a preliminary design data test plan and a design data test plan were outlined. This program defined the apparent critical differences between the surface insulators and the leading edge materials, structuring specialized screening test plans for each of these two classes of materials. Unique testing techniques were shown to be important in evaluating the structural interaction aspects of the surface insulators and a separate task was defined to validate the test plan. In addition, a compilation was made of available information on proposed material (including metallic TPS), previous shuttle programs, pertinent test procedures, and other national programs of merit. This material was collected and summarized in an informally structured workbook.

Functional Classification of Immune Regulatory Proteins

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

Rubinstein, Rotem; Ramagopal, Udupi A.; Nathenson, Stanley G.

2013-05-01

Members of the immunoglobulin superfamily (IgSF) control innate and adaptive immunity and are prime targets for the treatment of autoimmune diseases, infectious diseases, and malignancies. We describe a computational method, termed the Brotherhood algorithm, which utilizes intermediate sequence information to classify proteins into functionally related families. This approach identifies functional relationships within the IgSF and predicts additional receptor-ligand interactions. As a specific example, we examine the nectin/nectin-like family of cell adhesion and signaling proteins and propose receptor-ligand interactions within this family. We were guided by the Brotherhood approach and present the high-resolution structural characterization of a homophilic interaction involving themore » class-I MHC-restricted T-cell-associated molecule, which we now classify as a nectin-like family member. The Brotherhood algorithm is likely to have a significant impact on structural immunology by identifying those proteins and complexes for which structural characterization will be particularly informative.« less

Chemical and protein structural basis for biological crosstalk between PPAR α and COX enzymes

NASA Astrophysics Data System (ADS)

Cleves, Ann E.; Jain, Ajay N.

2015-02-01

We have previously validated a probabilistic framework that combined computational approaches for predicting the biological activities of small molecule drugs. Molecule comparison methods included molecular structural similarity metrics and similarity computed from lexical analysis of text in drug package inserts. Here we present an analysis of novel drug/target predictions, focusing on those that were not obvious based on known pharmacological crosstalk. Considering those cases where the predicted target was an enzyme with known 3D structure allowed incorporation of information from molecular docking and protein binding pocket similarity in addition to ligand-based comparisons. Taken together, the combination of orthogonal information sources led to investigation of a surprising predicted relationship between a transcription factor and an enzyme, specifically, PPAR α and the cyclooxygenase enzymes. These predictions were confirmed by direct biochemical experiments which validate the approach and show for the first time that PPAR α agonists are cyclooxygenase inhibitors.

Three-dimensional compound comparison methods and their application in drug discovery.

PubMed

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

2015-07-16

Virtual screening has been widely used in the drug discovery process. Ligand-based virtual screening (LBVS) methods compare a library of compounds with a known active ligand. Two notable advantages of LBVS methods are that they do not require structural information of a target receptor and that they are faster than structure-based methods. LBVS methods can be classified based on the complexity of ligand structure information utilized: one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D). Unlike 1D and 2D methods, 3D methods can have enhanced performance since they treat the conformational flexibility of compounds. In this paper, a number of 3D methods will be reviewed. In addition, four representative 3D methods were benchmarked to understand their performance in virtual screening. Specifically, we tested overall performance in key aspects including the ability to find dissimilar active compounds, and computational speed.

Recommendations for Clinical Decision Support Deployment: Synthesis of a Roundtable of Medical Directors of Information Systems

PubMed Central

Jenders, Robert A.; Osheroff, Jerome A.; Sittig, Dean F.; Pifer, Eric A.; Teich, Jonathan M

2007-01-01

Background: Ample evidence exists that clinical decision support (CDS) can improve clinician performance. Nevertheless, additional evidence demonstrates that clinicians still do not perform adequately in many instances. This suggests an ongoing need for implementation of CDS, in turn prompting development of a roadmap for national action regarding CDS. Objective: Develop practical advice to aid CDS implementation in order to improve clinician performance. Method: Structured group interview during a roundtable discussion by medical directors of information systems (N = 30), with subsequent review by participants and synthesis. Results: Participant consensus was that CDS should be comprehensive and should involve techniques such as order sets and facilitated documentation as well as alerts; should be subject to ongoing feedback; and should flow from and be governed by an organization’s clinical goals. Conclusion: A structured roundtable discussion of clinicians experienced in health information technology can yield practical, consensus advice for implementation of CDS. PMID:18693858

Augmented Reality in Scientific Publications-Taking the Visualization of 3D Structures to the Next Level.

PubMed

Wolle, Patrik; Müller, Matthias P; Rauh, Daniel

2018-03-16

The examination of three-dimensional structural models in scientific publications allows the reader to validate or invalidate conclusions drawn by the authors. However, either due to a (temporary) lack of access to proper visualization software or a lack of proficiency, this information is not necessarily available to every reader. As the digital revolution is quickly progressing, technologies have become widely available that overcome the limitations and offer to all the opportunity to appreciate models not only in 2D, but also in 3D. Additionally, mobile devices such as smartphones and tablets allow access to this information almost anywhere, at any time. Since access to such information has only recently become standard practice, we want to outline straightforward ways to incorporate 3D models in augmented reality into scientific publications, books, posters, and presentations and suggest that this should become general practice.

Autonomous learning based on cost assumptions: theoretical studies and experiments in robot control.

PubMed

Ribeiro, C H; Hemerly, E M

2000-02-01

Autonomous learning techniques are based on experience acquisition. In most realistic applications, experience is time-consuming: it implies sensor reading, actuator control and algorithmic update, constrained by the learning system dynamics. The information crudeness upon which classical learning algorithms operate make such problems too difficult and unrealistic. Nonetheless, additional information for facilitating the learning process ideally should be embedded in such a way that the structural, well-studied characteristics of these fundamental algorithms are maintained. We investigate in this article a more general formulation of the Q-learning method that allows for a spreading of information derived from single updates towards a neighbourhood of the instantly visited state and converges to optimality. We show how this new formulation can be used as a mechanism to safely embed prior knowledge about the structure of the state space, and demonstrate it in a modified implementation of a reinforcement learning algorithm in a real robot navigation task.

Determining Optimal Nursing Resources in Relation to Functions During the Oulu University Hospital Nurse Staffing Management Project.

PubMed

Liljamo, Pia; Lavander, Päivi; Kejonen, Pirjo

2016-01-01

The Oulu University Hospital's staffing management project sought information on the number of nursing staff in relation to treatment days and visits, using existing indicators to describe the activities involved. The retrospective data obtained was compared to human resources and the personnel structure. On this basis an optimal number of staff was determined for the units, taking account of a range of explanatory indicator data. The project made use of the computational model for nurse staffing and the World Health Organisation's (WHO) Workload Indicators of Staffing Need (WISN) method. The project provided extensive information on human resources issues within the units. Its results indicated the differences between wards with respect to the number and structure of resources. In addition, the nurse administrators lacked skills in gathering and using data from administrative datasets. This information will provide support for the further development of nursing operations and nursing management decision-making.

BAYESIAN PROTEIN STRUCTURE ALIGNMENT.

PubMed

Rodriguez, Abel; Schmidler, Scott C

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over evolutionary timescales. A key challenge is the identification and evaluation of structural similarity between proteins; such analysis can aid in understanding the role of newly discovered proteins and help elucidate evolutionary relationships between organisms. Computational biologists have developed many clever algorithmic techniques for comparing protein structures, however, all are based on heuristic optimization criteria, making statistical interpretation somewhat difficult. Here we present a fully probabilistic framework for pairwise structural alignment of proteins. Our approach has several advantages, including the ability to capture alignment uncertainty and to estimate key "gap" parameters which critically affect the quality of the alignment. We show that several existing alignment methods arise as maximum a posteriori estimates under specific choices of prior distributions and error models. Our probabilistic framework is also easily extended to incorporate additional information, which we demonstrate by including primary sequence information to generate simultaneous sequence-structure alignments that can resolve ambiguities obtained using structure alone. This combined model also provides a natural approach for the difficult task of estimating evolutionary distance based on structural alignments. The model is illustrated by comparison with well-established methods on several challenging protein alignment examples.

Modal analysis and dynamic stresses for acoustically excited shuttle insulation tiles

NASA Technical Reports Server (NTRS)

Ojalvo, I. U.; Ogilvie, P. L.

1975-01-01

Improvements and extensions to the RESIST computer program developed for determining the normalized modal stress response of shuttle insulation tiles are described. The new version of RESIST can accommodate primary structure panels with closed-cell stringers, in addition to the capability for treating open-cell stringers. In addition, the present version of RESIST numerically solves vibration problems several times faster than its predecessor. A new digital computer program, titled ARREST (Acoustic Response of Reusable Shuttle Tiles) is also described. Starting with modal information contained on output tapes from RESIST computer runs, ARREST determines RMS stresses, deflections and accelerations of shuttle panels with reusable surface insulation tiles. Both programs are applicable to stringer stiffened structural panels with or without reusable surface insulation titles.

Automated Quantification of Arbitrary Arm-Segment Structure in Spiral Galaxies

NASA Astrophysics Data System (ADS)

Davis, Darren Robert

This thesis describes a system that, given approximately-centered images of spiral galaxies, produces quantitative descriptions of spiral galaxy structure without the need for per-image human input. This structure information consists of a list of spiral arm segments, each associated with a fitted logarithmic spiral arc and a pixel region. This list-of-arcs representation allows description of arbitrary spiral galaxy structure: the arms do not need to be symmetric, may have forks or bends, and, more generally, may be arranged in any manner with a consistent spiral-pattern center (non-merging galaxies have a sufficiently well-defined center). Such flexibility is important in order to accommodate the myriad structure variations observed in spiral galaxies. From the arcs produced from our method it is possible to calculate measures of spiral galaxy structure such as winding direction, winding tightness, arm counts, asymmetry, or other values of interest (including user-defined measures). In addition to providing information about the spiral arm "skeleton" of each galaxy, our method can enable analyses of brightness within individual spiral arms, since we provide the pixel regions associated with each spiral arm segment. For winding direction, arm tightness, and arm count, comparable information is available (to various extents) from previous efforts; to the extent that such information is available, we find strong correspondence with our output. We also characterize the changes to (and invariances in) our output as a function of modifications to important algorithm parameters. By enabling generation of extensive data about spiral galaxy structure from large-scale sky surveys, our method will enable new discoveries and tests regarding the nature of galaxies and the universe, and will facilitate subsequent work to automatically fit detailed brightness models of spiral galaxies.

Active learning-based information structure analysis of full scientific articles and two applications for biomedical literature review.

PubMed

Guo, Yufan; Silins, Ilona; Stenius, Ulla; Korhonen, Anna

2013-06-01

Techniques that are capable of automatically analyzing the information structure of scientific articles could be highly useful for improving information access to biomedical literature. However, most existing approaches rely on supervised machine learning (ML) and substantial labeled data that are expensive to develop and apply to different sub-fields of biomedicine. Recent research shows that minimal supervision is sufficient for fairly accurate information structure analysis of biomedical abstracts. However, is it realistic for full articles given their high linguistic and informational complexity? We introduce and release a novel corpus of 50 biomedical articles annotated according to the Argumentative Zoning (AZ) scheme, and investigate active learning with one of the most widely used ML models-Support Vector Machines (SVM)-on this corpus. Additionally, we introduce two novel applications that use AZ to support real-life literature review in biomedicine via question answering and summarization. We show that active learning with SVM trained on 500 labeled sentences (6% of the corpus) performs surprisingly well with the accuracy of 82%, just 2% lower than fully supervised learning. In our question answering task, biomedical researchers find relevant information significantly faster from AZ-annotated than unannotated articles. In the summarization task, sentences extracted from particular zones are significantly more similar to gold standard summaries than those extracted from particular sections of full articles. These results demonstrate that active learning of full articles' information structure is indeed realistic and the accuracy is high enough to support real-life literature review in biomedicine. The annotated corpus, our AZ classifier and the two novel applications are available at http://www.cl.cam.ac.uk/yg244/12bioinfo.html

Topological entanglement Rényi entropy and reduced density matrix structure.

PubMed

Flammia, Steven T; Hamma, Alioscia; Hughes, Taylor L; Wen, Xiao-Gang

2009-12-31

We generalize the topological entanglement entropy to a family of topological Rényi entropies parametrized by a parameter alpha, in an attempt to find new invariants for distinguishing topologically ordered phases. We show that, surprisingly, all topological Rényi entropies are the same, independent of alpha for all nonchiral topological phases. This independence shows that topologically ordered ground-state wave functions have reduced density matrices with a certain simple structure, and no additional universal information can be extracted from the entanglement spectrum.

Topological Entanglement Rényi Entropy and Reduced Density Matrix Structure

NASA Astrophysics Data System (ADS)

Flammia, Steven T.; Hamma, Alioscia; Hughes, Taylor L.; Wen, Xiao-Gang

2009-12-01

We generalize the topological entanglement entropy to a family of topological Rényi entropies parametrized by a parameter α, in an attempt to find new invariants for distinguishing topologically ordered phases. We show that, surprisingly, all topological Rényi entropies are the same, independent of α for all nonchiral topological phases. This independence shows that topologically ordered ground-state wave functions have reduced density matrices with a certain simple structure, and no additional universal information can be extracted from the entanglement spectrum.

The Lens Capsule

PubMed Central

Danysh, Brian P.; Duncan, Melinda K.

2009-01-01

The lens capsule is a modified basement membrane that completely surrounds the ocular lens. It is known that this extracellular matrix is important for both the structure and biomechanics of the lens in addition to providing informational cues to maintain lens cell phenotype. This review covers the development and structure of the lens capsule, lens diseases associated with mutations in extracellular matrix genes and the role of the capsule in lens function including those proposed for visual accommodation, selective permeability to infectious agents, and cell signaling. PMID:18773892

Benthic habitats and offshore geological resources of Kaloko-Honokōhau National Historical Park, Hawai‘i

USGS Publications Warehouse

Gibbs, Ann E.; Cochran, Susan A.; Logan, Joshua B.; Grossman, Eric E.

2007-01-01

 A benthic-habitat classification map was created for the park using existing color aerial photography, Scanning Hydrographic Operational Airborne Lidar Survey (SHOALS) bathymetric data, georeferenced underwater video, and still photography. Individual habitat polygons were classified using five basic attributes: (1) major structure or substrate, (2) dominant structure, (3) major biologic cover on the substrate, (4) percentage of major biological cover, and (5) geographic zone. Additional information regarding geology, morphology, and coral species were also noted.

Addition of flexible body option to the TOLA computer program. Part 2: User and programmer documentation

NASA Technical Reports Server (NTRS)

Dick, J. W.; Benda, B. J.

1975-01-01

User and programmer oriented documentation for the flexible body option of the Takeoff and Landing Analysis (TOLA) computer program are provided. The user information provides sufficient knowledge of the development and use of the option to enable the engineering user to successfully operate the modified program and understand the results. The programmer's information describes the option structure and logic enabling a programmer to make major revisions to this part of the TOLA computer program.

Geological applications of LANDSAT-1 imagery to the Great Salt Lake area

NASA Technical Reports Server (NTRS)

Anderson, A. T.; Smith, A. F.

1975-01-01

The ERTS program has been designed as a research and development tool to demonstrate that remote sensing from orbital altitudes is a feasible and practical approach to efficient management of earth resources. From this synoptic view and repetitive coverage provided by ERTS imagery of the Great Salt Lake area, large geological and structural features, trends, and patterns have been identified and mapped. A comparative analysis of lineaments observed in September and December data was conducted, existing mineral locations were plotted, and areas considered prospective for mineralization based on apparent structure-mineralization relationships were defined. The additional information obtained using ERTS data provides an added source of information to aid in the development of more effective mineral exploration programs.

Modeling Magnetic Flux-Ropes Structures

NASA Astrophysics Data System (ADS)

Nieves-Chinchilla, T.; Linton, M.; Hidalgo, M. A. U.; Vourlidas, A.; Savani, N.; Szabo, A.; Farrugia, C. J.; Yu, W.

2015-12-01

Flux-ropes are usually associated with magnetic structures embedded in the interplanetary Coronal Mass Ejections (ICMEs) with a depressed proton temperature (called Magnetic Clouds, MCs). However, small-scale flux-ropes in the solar wind are also identified with different formation, evolution, and dynamic involved. We present an analytical model to describe magnetic flux-rope topologies. The model is generalized to different grades of complexity. It extends the circular-cylindrical concept of Hidalgo et al. (2002) by introducing a general form for the radial dependence of the current density. This generalization provides information on the force distribution inside the flux rope in addition to the usual parameters of flux-rope geometrical information and orientation. The generalized model provides flexibility for implementation in 3-D MHD simulations.

MIPSPlantsDB—plant database resource for integrative and comparative plant genome research

PubMed Central

Spannagl, Manuel; Noubibou, Octave; Haase, Dirk; Yang, Li; Gundlach, Heidrun; Hindemitt, Tobias; Klee, Kathrin; Haberer, Georg; Schoof, Heiko; Mayer, Klaus F. X.

2007-01-01

Genome-oriented plant research delivers rapidly increasing amount of plant genome data. Comprehensive and structured information resources are required to structure and communicate genome and associated analytical data for model organisms as well as for crops. The increase in available plant genomic data enables powerful comparative analysis and integrative approaches. PlantsDB aims to provide data and information resources for individual plant species and in addition to build a platform for integrative and comparative plant genome research. PlantsDB is constituted from genome databases for Arabidopsis, Medicago, Lotus, rice, maize and tomato. Complementary data resources for cis elements, repetive elements and extensive cross-species comparisons are implemented. The PlantsDB portal can be reached at . PMID:17202173

bcl::Cluster : A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System.

PubMed

Alexander, Nathan; Woetzel, Nils; Meiler, Jens

2011-02-01

Clustering algorithms are used as data analysis tools in a wide variety of applications in Biology. Clustering has become especially important in protein structure prediction and virtual high throughput screening methods. In protein structure prediction, clustering is used to structure the conformational space of thousands of protein models. In virtual high throughput screening, databases with millions of drug-like molecules are organized by structural similarity, e.g. common scaffolds. The tree-like dendrogram structure obtained from hierarchical clustering can provide a qualitative overview of the results, which is important for focusing detailed analysis. However, in practice it is difficult to relate specific components of the dendrogram directly back to the objects of which it is comprised and to display all desired information within the two dimensions of the dendrogram. The current work presents a hierarchical agglomerative clustering method termed bcl::Cluster. bcl::Cluster utilizes the Pymol Molecular Graphics System to graphically depict dendrograms in three dimensions. This allows simultaneous display of relevant biological molecules as well as additional information about the clusters and the members comprising them.

Eliciting consumer preferences for health plans.

PubMed

Booske, B C; Sainfort, F; Hundt, A S

1999-10-01

To examine (1) what people say is important to them in choosing a health plan; (2) the effect, if any, that giving health plan information has on what people say is important to them; and (3) the effect of preference elicitation methods on what people say is important. A random sample of 201 Wisconsin state employees who participated in a health plan choice experiment during the 1995 open enrollment period. We designed a computer system to guide subjects through the review of information about health plan options. The system began by eliciting the stated preferences of the subjects before they viewed the information, at time 0. Subjects were given an opportunity to revise their preference structures first after viewing summary information about four health plans (time 1) and then after viewing more extensive, detailed information about the same options (time 2). At time 2, these individuals were also asked to rate the relative importance of a predefined list of health plan features presented to them. Data were collected on the number of attributes listed at each point in time and the importance weightings assigned to each attribute. In addition, each item on the attribute list was content analyzed. The provision of information changes the preference structures of individuals. Costs (price) and coverage dominated the attributes cited both before and after looking at health plan information. When presented with information on costs, quality, and how plans work, many of these relatively well educated consumers revised their preference structures; yet coverage and costs remained the primary cited attributes. Although efforts to provide health plan information should continue, decisions on the information to provide and on making it available are not enough. Individuals need help in understanding, processing, and using the information to construct their preferences and make better decisions.

Evaluation and comparison of epidural analgesia in labour related information on French and English-speaking websites.

PubMed

Espitalier, Fabien; De Lamer, Sabine; Barbaz, Mathilde; Laffon, Marc; Remérand, Francis

2018-01-31

The medical information on the Internet is better in English than in other languages. The information about Epidural Analgesia In Labour (EAIL) available on French-speaking websites is of poor quality. The quality of the information about EAIL should be better in English, but there is no comparison available. This study has assessed and compared the quality of the information about EAIL available on French and English-speaking websites. Keywords "epidural", "épidurale" and/or "péridurale" were used in the French, Canadian and American Google ® and Yahoo ® search engines. Two independent assessors assessed the 20 first websites for each engine search. They used an evaluation form created from French, Canadian and American recommendations. This form assessed the structure quality (Structure Score/25) and the medical information quality (Medical Information Score/30) of the websites. The addition of both scores gives the Global Score (/55). Seventy-one websites were assessed, 39 French-speaking and 32 English-speaking websites. Structure, Medical Information and Global Scores (expressed as mean (SD)) were respectively 11 (4), 13 (5), 24 (8) for the French-speaking websites and 11 (4), 12 (4), 23 (7) for the English-speaking websites. There was no statistical significant difference between both languages. Information about EAIL available on French and English-speaking websites is of poor quality and there is no difference in the information quality, whatever the language. A consideration on Internet medical information improvement is needed. A high quality dedicated website should be created and broadcasted. Copyright © 2018 Société française d'anesthésie et de réanimation (Sfar). Published by Elsevier Masson SAS. All rights reserved.

Structure and Bonding of Carbon in Clays from CI Carbonaceous Chondrites

NASA Technical Reports Server (NTRS)

Garview, Laurence a. J.; Buseck, Peter R.

2005-01-01

Carbonaceous chondrites (CC) contain a diverse suite of C-rich materials. Acid dissolution of these meteorites leaves a C-rich residue with chemical and structural affinities to kerogen. This material has primarily been analyzed in bulk, and much information has been provided regarding functional groups and elemental and isotopic compositions. However, comparatively little work has been done on C in unprocessed meteorites. Studies of CCs suggest a spatial relationship of some C-rich materials with products of aqueous alteration. Recent studies revealed discrete submicronsized, C-rich particles in Tagish Lake and a range of CM2 meteorites. A challenge is to correlate the findings from the bulk acid-residue studies with those of high-spatial resolution-mineralogical and spectroscopic observations of unprocessed meteorites. Hence, the relationship between the C-rich materials in the acid residues and its form and locations in the unprocessed meteorite remains unclear. Here we provide information on the structure and bonding of C associated with clays in CI carbonaceous chondrites. Additional information is included in the original extended abstract.

Testing the importance of family solidarity, community structure, information access, and social capital in predicting nutrition health knowledge and food choices in the Philippines.

PubMed

Moxley, Robert L; Jicha, Karl A; Thompson, Gretchen H

2011-01-01

This study investigates the influence of family solidarity, community structure, information access, social capital, and socioeconomic status on the extent of nutrition and health knowledge (NHK) among primary household meal planners. In turn, we pose the question: does this knowledge influence dietary decision making? Data are taken from a survey determining socioeconomic impacts of vitamin A fortified peanut butter on Philippine households. Questions on the relationships of nutrition to health were selected to construct a knowledge index on which household respondents could be ranked. We then tested hypotheses regarding what types of individual, family-level, and community structural characteristics would predict performance on this index. The results indicate that the strongest predictors of NHK come from sociological theory related to family solidarity and community centrality, in addition to information accessibility and household income. Our findings also indicate that NHK influences dietary choices with regard to the purchase of a vitamin fortified staple food product, which is essential when addressing nutritional deficiency problems in developing countries.

Object reasoning for waste remediation

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

Pennock, K.A.; Bohn, S.J.; Franklin, A.L.

1991-08-01

A large number of contaminated waste sites across the United States await size remediation efforts. These sites can be physically complex, composed of multiple, possibly interacting, contaminants distributed throughout one or more media. The Remedial Action Assessment System (RAAS) is being designed and developed to support decisions concerning the selection of remediation alternatives. The goal of this system is to broaden the consideration of remediation alternatives, while reducing the time and cost of making these considerations. The Remedial Action Assessment System is a hybrid system, designed and constructed using object-oriented, knowledge- based systems, and structured programming techniques. RAAS uses amore » combination of quantitative and qualitative reasoning to consider and suggest remediation alternatives. The reasoning process that drives this application is centered around an object-oriented organization of remediation technology information. This paper describes the information structure and organization used to support this reasoning process. In addition, the paper describes the level of detail of the technology related information used in RAAS, discusses required assumptions and procedural implications of these assumptions, and provides rationale for structuring RAAS in this manner. 3 refs., 3 figs.« less

Stages and transitions in medical education around the world: clarifying structures and terminology.

PubMed

Wijnen-Meijer, Marjo; Burdick, William; Alofs, Lonneke; Burgers, Chantalle; ten Cate, Olle

2013-04-01

In a world that increasingly serves the international exchange of information on medical training, many students, physicians and educators encounter numerous variations in curricula, degrees, point of licensing and terminology. The aim of this study was to shed some light for those trying to compare medical training formats across countries. We surveyed a sample of key informants from 40 countries. Survey questions included: structure of medical education, moment that unrestricted practice is allowed, various options after general medical licensing, nomenclature of degrees granted and relevant terminology related to the medical education system. In addition, we searched the literature for description of country-specific information. Based on the results, we described the six models of current medical training around the world, supplemented with a list of degrees granted after medical school and an explanation of frequently used terminology. The results of this questionnaire study lead to the conclusion that while there are many differences between countries, there appear to be six dominant models. The models vary in structure and length of medical training, point of full registration and degrees that are granted.

Elements of the cellular metabolic structure

PubMed Central

De la Fuente, Ildefonso M.

2015-01-01

A large number of studies have demonstrated the existence of metabolic covalent modifications in different molecular structures, which are able to store biochemical information that is not encoded by DNA. Some of these covalent mark patterns can be transmitted across generations (epigenetic changes). Recently, the emergence of Hopfield-like attractor dynamics has been observed in self-organized enzymatic networks, which have the capacity to store functional catalytic patterns that can be correctly recovered by specific input stimuli. Hopfield-like metabolic dynamics are stable and can be maintained as a long-term biochemical memory. In addition, specific molecular information can be transferred from the functional dynamics of the metabolic networks to the enzymatic activity involved in covalent post-translational modulation, so that determined functional memory can be embedded in multiple stable molecular marks. The metabolic dynamics governed by Hopfield-type attractors (functional processes), as well as the enzymatic covalent modifications of specific molecules (structural dynamic processes) seem to represent the two stages of the dynamical memory of cellular metabolism (metabolic memory). Epigenetic processes appear to be the structural manifestation of this cellular metabolic memory. Here, a new framework for molecular information storage in the cell is presented, which is characterized by two functionally and molecularly interrelated systems: a dynamic, flexible and adaptive system (metabolic memory) and an essentially conservative system (genetic memory). The molecular information of both systems seems to coordinate the physiological development of the whole cell. PMID:25988183

Trapping self-propelled micromotors with microfabricated chevron and heart-shaped chips† †Electronic supplementary information (ESI) available: Supporting videos (S1; S2 and S3). See DOI: 10.1039/c3lc51419f Click here for additional data file. Click here for additional data file. Click here for additional data file. Click here for additional data file.

PubMed Central

Restrepo-Pérez, Laura; Soler, Lluís; Martínez-Cisneros, Cynthia S.; Schmidt, Oliver G.

2014-01-01

We demonstrate that catalytic micromotors can be trapped in microfluidic chips containing chevron and heart-shaped structures. Despite the challenge presented by the reduced size of the traps, microfluidic chips with different trapping geometries can be fabricated via replica moulding. We prove that these microfluidic chips can capture micromotors without the need for any external mechanism to control their motion. PMID:24643940

Origin of the Polygons and Underground Structures in Western Utopia Planitia on Mars

NASA Technical Reports Server (NTRS)

Yoshikawa, K.

2002-01-01

The area of lower albedo (Hvm) has a higher density of polygonal patterns. These patterns potentially suggest that 1) the polygonal pattern is caused primarily by ground heaving and collapsing, 2) lower albedo materials had higher tensile strength. Additional information is contained in the original extended abstract.

Urban Decline or Disinvestment: Uneven Development, Redlining and the Role of the Insurance Industry.

ERIC Educational Resources Information Center

Squires, Gregory D.; And Others

1979-01-01

Redlining of many urban communities and discrimination against the poor and minorities are common in the insurance industry, and these practices contribute to the deterioration of those communities. The utilization of a structural/disinvestment approach by social scientists should provide additional information about the uneven development of…

Note-Taking Quality and Performance on an L2 Academic Listening Test

ERIC Educational Resources Information Center

Song, Min-Young

2012-01-01

This study investigated the relationships among the quality of L2 test takers' notes evaluated in terms of different levels of information and test takers' performance on open-ended listening tasks tapping into different comprehension subskills. In addition, this study examined the invariance of the structural relationships among the variables…

Martinus Veltman, the Electroweak Theory, and Elementary Particle Physics

Science.gov Websites

Particle Physics Resources with Additional Information Martinus Veltman Courtesy University of Michigan Martinus J.G. Veltman, the John D. MacArthur Professor Emeritus of Physics at the University of Michigan , was awarded the 1999 Nobel Prize in physics "for elucidating the quantum structure of electroweak

78 FR 50424 - NIH Cooperative Research and Development Agreement Program: Invitation To Solicit Nonclinical and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-19

...) Program. This CRADA Program is an extension of collaboration opportunities solicited by NIH or developed... health mission of the NIH. These collaboration opportunities are structured under the authority of 15 U.S... use of such additional information. The collaboration will be governed by CRADA terms that address...

The Geology of Comet 19/P Borrelly

NASA Technical Reports Server (NTRS)

Britt, D. T.; Boice, D. C; Buratti, B. J.; Hicks, M. D.; Nelson, R. M.; Oberst, J.; Sandel, B. R.; Soderblom, L. A.; Stern, S. A.; Thomas, N.

2002-01-01

The Deep Space One spacecraft flew by Comet 19P/Borrelly on September 22, 2001 and returned a rich array of imagery with resolutions of up to 48 m/pixel. These images provide a window into the surface structure, processes, and geological history of a comet. Additional information is contained in the original extended abstract.

Chemical imaging of cotton fibers using an infrared microscope and a focal-plane array detector

USDA-ARS?s Scientific Manuscript database

In this presentation, the chemical imaging of cotton fibers with an infrared microscope and a Focal-Plane Array (FPA) detector will be discussed. Infrared spectroscopy can provide us with information on the structure and quality of cotton fibers. In addition, FPA detectors allow for simultaneous spe...

Structure of the Dichotomy Boundary at 50-90E Revealed by Geologic Mapping and Gravity and Magnetic Data

NASA Technical Reports Server (NTRS)

Smrekar, S. E.; Raymond, C. A.; McGill, G. E.

2002-01-01

In the 50-90E section of the dichotomy, the gravity and magnetic fields correlate with a buried fault. These data will be used to infer fault slip and thickness of the magnetic layer. Additional information is contained in the original extended abstract.

Problem Solving in Social Studies: Concepts and Critiques.

ERIC Educational Resources Information Center

Van Sickle, Ronald L.; Hoge, John D.

Recent developments in the field of cognitive psychology, particularly in the area of information processing, have shed light on the way people think in order to make decisions and solve problems. In addition, cooperative learning research has provided evidence of the effectiveness of cooperatively structured group work aimed at problem solving.…

Structural Equation Model to Validate: Mathematics-Computer Interaction, Computer Confidence, Mathematics Commitment, Mathematics Motivation and Mathematics Confidence

ERIC Educational Resources Information Center

Garcia-Santillán, Arturo; Moreno-Garcia, Elena; Escalera-Chávez, Milka E.; Rojas-Kramer, Carlos A.; Pozos-Texon, Felipe

2016-01-01

Most mathematics students show a definite tendency toward an attitudinal deficiency, which can be primarily understood as intolerance to the matter, affecting their scholar performance adversely. In addition, information and communication technologies have been gradually included within the process of teaching mathematics. Such adoption of…

Cohort profile of the South London and Maudsley NHS Foundation Trust Biomedical Research Centre (SLaM BRC) Case Register: current status and recent enhancement of an Electronic Mental Health Record-derived data resource.

PubMed

Perera, Gayan; Broadbent, Matthew; Callard, Felicity; Chang, Chin-Kuo; Downs, Johnny; Dutta, Rina; Fernandes, Andrea; Hayes, Richard D; Henderson, Max; Jackson, Richard; Jewell, Amelia; Kadra, Giouliana; Little, Ryan; Pritchard, Megan; Shetty, Hitesh; Tulloch, Alex; Stewart, Robert

2016-03-01

The South London and Maudsley National Health Service (NHS) Foundation Trust Biomedical Research Centre (SLaM BRC) Case Register and its Clinical Record Interactive Search (CRIS) application were developed in 2008, generating a research repository of real-time, anonymised, structured and open-text data derived from the electronic health record system used by SLaM, a large mental healthcare provider in southeast London. In this paper, we update this register's descriptive data, and describe the substantial expansion and extension of the data resource since its original development. Descriptive data were generated from the SLaM BRC Case Register on 31 December 2014. Currently, there are over 250,000 patient records accessed through CRIS. Since 2008, the most significant developments in the SLaM BRC Case Register have been the introduction of natural language processing to extract structured data from open-text fields, linkages to external sources of data, and the addition of a parallel relational database (Structured Query Language) output. Natural language processing applications to date have brought in new and hitherto inaccessible data on cognitive function, education, social care receipt, smoking, diagnostic statements and pharmacotherapy. In addition, through external data linkages, large volumes of supplementary information have been accessed on mortality, hospital attendances and cancer registrations. Coupled with robust data security and governance structures, electronic health records provide potentially transformative information on mental disorders and outcomes in routine clinical care. The SLaM BRC Case Register continues to grow as a database, with approximately 20,000 new cases added each year, in addition to extension of follow-up for existing cases. Data linkages and natural language processing present important opportunities to enhance this type of research resource further, achieving both volume and depth of data. However, research projects still need to be carefully tailored, so that they take into account the nature and quality of the source information. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

E-Area Vault Concrete Material Property And Vault Durability/Degradation Projection Recommendations

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

Phifer, M. A.

2014-03-11

Subsequent to the 2008 E-Area Low-Level Waste Facility (ELLWF) Performance Assessment (PA) (WSRC 2008), two additional E-Area vault concrete property testing programs have been conducted (Dixon and Phifer 2010 and SIMCO 2011a) and two additional E-Area vault concrete durability modeling projections have been made (Langton 2009 and SIMCO 2012). All the information/data from these reports has been evaluated and consolidated herein by the Savannah River National Laboratory (SRNL) at the request of Solid Waste Management (SWM) to produce E-Area vault concrete hydraulic and physical property data and vault durability/degradation projection recommendations that are adequately justified for use within associated Specialmore » Analyses (SAs) and future PA updates. The Low Activity Waste (LAW) and Intermediate Level (IL) Vaults structural degradation predictions produced by Carey 2006 and Peregoy 2006, respectively, which were used as the basis for the 2008 ELLWF PA, remain valid based upon the results of the E-Area vault concrete durability simulations reported by Langton 2009 and those reported by SIMCO 2012. Therefore revised structural degradation predictions are not required so long as the mean thickness of the closure cap overlying the vaults is no greater than that assumed within Carey 2006 and Peregoy 2006. For the LAW Vault structural degradation prediction (Carey 2006), the mean thickness of the overlying closure cap was taken as nine feet. For the IL Vault structural degradation prediction (Peregoy 2006), the mean thickness of the overlying closure cap was taken as eight feet. The mean closure cap thicknesses as described here for both E-Area Vaults will be included as a key input and assumption (I&A) in the next revision to the closure plan for the ELLWF (Phifer et al. 2009). In addition, it has been identified as new input to the PA model to be assessed in the ongoing update to the new PA Information UDQE (Flach 2013). Once the UDQE is approved, the SWM Key I&A database will be updated with this new information.« less

KnotProt: a database of proteins with knots and slipknots.

PubMed

Jamroz, Michal; Niemyska, Wanda; Rawdon, Eric J; Stasiak, Andrzej; Millett, Kenneth C; Sułkowski, Piotr; Sulkowska, Joanna I

2015-01-01

The protein topology database KnotProt, http://knotprot.cent.uw.edu.pl/, collects information about protein structures with open polypeptide chains forming knots or slipknots. The knotting complexity of the cataloged proteins is presented in the form of a matrix diagram that shows users the knot type of the entire polypeptide chain and of each of its subchains. The pattern visible in the matrix gives the knotting fingerprint of a given protein and permits users to determine, for example, the minimal length of the knotted regions (knot's core size) or the depth of a knot, i.e. how many amino acids can be removed from either end of the cataloged protein structure before converting it from a knot to a different type of knot. In addition, the database presents extensive information about the biological functions, families and fold types of proteins with non-trivial knotting. As an additional feature, the KnotProt database enables users to submit protein or polymer chains and generate their knotting fingerprints. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

CIF2Cell: Generating geometries for electronic structure programs

NASA Astrophysics Data System (ADS)

Björkman, Torbjörn

2011-05-01

The CIF2Cell program generates the geometrical setup for a number of electronic structure programs based on the crystallographic information in a Crystallographic Information Framework (CIF) file. The program will retrieve the space group number, Wyckoff positions and crystallographic parameters, make a sensible choice for Bravais lattice vectors (primitive or principal cell) and generate all atomic positions. Supercells can be generated and alloys are handled gracefully. The code currently has output interfaces to the electronic structure programs ABINIT, CASTEP, CPMD, Crystal, Elk, Exciting, EMTO, Fleur, RSPt, Siesta and VASP. Program summaryProgram title: CIF2Cell Catalogue identifier: AEIM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIM_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU GPL version 3 No. of lines in distributed program, including test data, etc.: 12 691 No. of bytes in distributed program, including test data, etc.: 74 933 Distribution format: tar.gz Programming language: Python (versions 2.4-2.7) Computer: Any computer that can run Python (versions 2.4-2.7) Operating system: Any operating system that can run Python (versions 2.4-2.7) Classification: 7.3, 7.8, 8 External routines: PyCIFRW [1] Nature of problem: Generate the geometrical setup of a crystallographic cell for a variety of electronic structure programs from data contained in a CIF file. Solution method: The CIF file is parsed using routines contained in the library PyCIFRW [1], and crystallographic as well as bibliographic information is extracted. The program then generates the principal cell from symmetry information, crystal parameters, space group number and Wyckoff sites. Reduction to a primitive cell is then performed, and the resulting cell is output to suitably named files along with documentation of the information source generated from any bibliographic information contained in the CIF file. If the space group symmetries is not present in the CIF file the program will fall back on internal tables, so only the minimal input of space group, crystal parameters and Wyckoff positions are required. Additional key features are handling of alloys and supercell generation. Additional comments: Currently implements support for the following general purpose electronic structure programs: ABINIT [2,3], CASTEP [4], CPMD [5], Crystal [6], Elk [7], exciting [8], EMTO [9], Fleur [10], RSPt [11], Siesta [12] and VASP [13-16]. Running time: The examples provided in the distribution take only seconds to run.

Determining the size dependence of structural properties of clusters

NASA Astrophysics Data System (ADS)

Dong, Yi; Springborg, Michael

2012-12-01

Problems related to the determination of the structure of the global total-energy minimum for clusters are discussed through three examples. For isolated gold clusters it is shown that low-symmetry structures result due to covalent bonding. Subsequently, SiNGeN and (HAlO)N clusters are treated for which the occurrence of so called homotops leads to additional computational complexity. For the former it is found that the structures are not directly related to those of the pure monatomic clusters, and for the latter the results are shown to be in agreement with available experimental information on nanostructured HAlO. In order to illustrate and analyze the results, various descriptors are introduced and applied.

Global heating distributions for January 1979 calculated from GLA assimilated and simulated model-based datasets

NASA Technical Reports Server (NTRS)

Schaack, Todd K.; Lenzen, Allen J.; Johnson, Donald R.

1991-01-01

This study surveys the large-scale distribution of heating for January 1979 obtained from five sources of information. Through intercomparison of these distributions, with emphasis on satellite-derived information, an investigation is conducted into the global distribution of atmospheric heating and the impact of observations on the diagnostic estimates of heating derived from assimilated datasets. The results indicate a substantial impact of satellite information on diagnostic estimates of heating in regions where there is a scarcity of conventional observations. The addition of satellite data provides information on the atmosphere's temperature and wind structure that is important for estimation of the global distribution of heating and energy exchange.

Sources of Information on HIV and Sexual and Reproductive Health for Couples Living with HIV in Rural Southern Malawi

PubMed Central

Gombachika, Belinda Chimphamba; Chirwa, Ellen; Malata, Address; Maluwa, Alfred

2013-01-01

With wider access to antiretroviral therapy, people living with HIV are reconsidering their reproductive decisions: remarrying and having children. The purpose of the paper is to explore sources of information for reproductive decision used by couples living with HIV in patrilineal and matrilineal districts of Malawi. Data were collected from forty couples from July to December 2010. Our results illuminate five specific issues: some of the informants (1) remarry after divorce/death of a spouse, (2) establish new marriage relationship with spouses living with HIV, and (3) have children hence the need for information to base their decisions. There are (4) shared and interactive couple decisions, and (5) informal networks of people living with HIV are the main sources of information. In addition, in matrilineal community, cultural practices about remarriage set up structures that constrained information availability unlike in patrilineal community where information on sexual and reproductive health, HIV, and AIDS was disseminated during remarriage counselling. However, both sources are not able to provide comprehensive information due to complexity and lack of up to date information. Therefore, health workers should, offer people living with HIV comprehensive information that takes into consideration the cultural specificity of groups, and empower already existing and accepted local structures with sexual and reproductive health, HIV, and AIDS knowledge. PMID:23662206

[Technologies for Complex Intelligent Clinical Data Analysis].

PubMed

Baranov, A A; Namazova-Baranova, L S; Smirnov, I V; Devyatkin, D A; Shelmanov, A O; Vishneva, E A; Antonova, E V; Smirnov, V I

2016-01-01

The paper presents the system for intelligent analysis of clinical information. Authors describe methods implemented in the system for clinical information retrieval, intelligent diagnostics of chronic diseases, patient's features importance and for detection of hidden dependencies between features. Results of the experimental evaluation of these methods are also presented. Healthcare facilities generate a large flow of both structured and unstructured data which contain important information about patients. Test results are usually retained as structured data but some data is retained in the form of natural language texts (medical history, the results of physical examination, and the results of other examinations, such as ultrasound, ECG or X-ray studies). Many tasks arising in clinical practice can be automated applying methods for intelligent analysis of accumulated structured array and unstructured data that leads to improvement of the healthcare quality. the creation of the complex system for intelligent data analysis in the multi-disciplinary pediatric center. Authors propose methods for information extraction from clinical texts in Russian. The methods are carried out on the basis of deep linguistic analysis. They retrieve terms of diseases, symptoms, areas of the body and drugs. The methods can recognize additional attributes such as "negation" (indicates that the disease is absent), "no patient" (indicates that the disease refers to the patient's family member, but not to the patient), "severity of illness", disease course", "body region to which the disease refers". Authors use a set of hand-drawn templates and various techniques based on machine learning to retrieve information using a medical thesaurus. The extracted information is used to solve the problem of automatic diagnosis of chronic diseases. A machine learning method for classification of patients with similar nosology and the methodfor determining the most informative patients'features are also proposed. Authors have processed anonymized health records from the pediatric center to estimate the proposed methods. The results show the applicability of the information extracted from the texts for solving practical problems. The records ofpatients with allergic, glomerular and rheumatic diseases were used for experimental assessment of the method of automatic diagnostic. Authors have also determined the most appropriate machine learning methods for classification of patients for each group of diseases, as well as the most informative disease signs. It has been found that using additional information extracted from clinical texts, together with structured data helps to improve the quality of diagnosis of chronic diseases. Authors have also obtained pattern combinations of signs of diseases. The proposed methods have been implemented in the intelligent data processing system for a multidisciplinary pediatric center. The experimental results show the availability of the system to improve the quality of pediatric healthcare.

Small molecule annotation for the Protein Data Bank

PubMed Central

Sen, Sanchayita; Young, Jasmine; Berrisford, John M.; Chen, Minyu; Conroy, Matthew J.; Dutta, Shuchismita; Di Costanzo, Luigi; Gao, Guanghua; Ghosh, Sutapa; Hudson, Brian P.; Igarashi, Reiko; Kengaku, Yumiko; Liang, Yuhe; Peisach, Ezra; Persikova, Irina; Mukhopadhyay, Abhik; Narayanan, Buvaneswari Coimbatore; Sahni, Gaurav; Sato, Junko; Sekharan, Monica; Shao, Chenghua; Tan, Lihua; Zhuravleva, Marina A.

2014-01-01

The Protein Data Bank (PDB) is the single global repository for three-dimensional structures of biological macromolecules and their complexes, and its more than 100 000 structures contain more than 20 000 distinct ligands or small molecules bound to proteins and nucleic acids. Information about these small molecules and their interactions with proteins and nucleic acids is crucial for our understanding of biochemical processes and vital for structure-based drug design. Small molecules present in a deposited structure may be attached to a polymer or may occur as a separate, non-covalently linked ligand. During curation of a newly deposited structure by wwPDB annotation staff, each molecule is cross-referenced to the PDB Chemical Component Dictionary (CCD). If the molecule is new to the PDB, a dictionary description is created for it. The information about all small molecule components found in the PDB is distributed via the ftp archive as an external reference file. Small molecule annotation in the PDB also includes information about ligand-binding sites and about covalent and other linkages between ligands and macromolecules. During the remediation of the peptide-like antibiotics and inhibitors present in the PDB archive in 2011, it became clear that additional annotation was required for consistent representation of these molecules, which are quite often composed of several sequential subcomponents including modified amino acids and other chemical groups. The connectivity information of the modified amino acids is necessary for correct representation of these biologically interesting molecules. The combined information is made available via a new resource called the Biologically Interesting molecules Reference Dictionary, which is complementary to the CCD and is now routinely used for annotation of peptide-like antibiotics and inhibitors. PMID:25425036

Small molecule annotation for the Protein Data Bank.

PubMed

Sen, Sanchayita; Young, Jasmine; Berrisford, John M; Chen, Minyu; Conroy, Matthew J; Dutta, Shuchismita; Di Costanzo, Luigi; Gao, Guanghua; Ghosh, Sutapa; Hudson, Brian P; Igarashi, Reiko; Kengaku, Yumiko; Liang, Yuhe; Peisach, Ezra; Persikova, Irina; Mukhopadhyay, Abhik; Narayanan, Buvaneswari Coimbatore; Sahni, Gaurav; Sato, Junko; Sekharan, Monica; Shao, Chenghua; Tan, Lihua; Zhuravleva, Marina A

2014-01-01

The Protein Data Bank (PDB) is the single global repository for three-dimensional structures of biological macromolecules and their complexes, and its more than 100,000 structures contain more than 20,000 distinct ligands or small molecules bound to proteins and nucleic acids. Information about these small molecules and their interactions with proteins and nucleic acids is crucial for our understanding of biochemical processes and vital for structure-based drug design. Small molecules present in a deposited structure may be attached to a polymer or may occur as a separate, non-covalently linked ligand. During curation of a newly deposited structure by wwPDB annotation staff, each molecule is cross-referenced to the PDB Chemical Component Dictionary (CCD). If the molecule is new to the PDB, a dictionary description is created for it. The information about all small molecule components found in the PDB is distributed via the ftp archive as an external reference file. Small molecule annotation in the PDB also includes information about ligand-binding sites and about covalent and other linkages between ligands and macromolecules. During the remediation of the peptide-like antibiotics and inhibitors present in the PDB archive in 2011, it became clear that additional annotation was required for consistent representation of these molecules, which are quite often composed of several sequential subcomponents including modified amino acids and other chemical groups. The connectivity information of the modified amino acids is necessary for correct representation of these biologically interesting molecules. The combined information is made available via a new resource called the Biologically Interesting molecules Reference Dictionary, which is complementary to the CCD and is now routinely used for annotation of peptide-like antibiotics and inhibitors. © The Author(s) 2014. Published by Oxford University Press.

Contact-assisted protein structure modeling by global optimization in CASP11.

PubMed

Joo, Keehyoung; Joung, InSuk; Cheng, Qianyi; Lee, Sung Jong; Lee, Jooyoung

2016-09-01

We have applied the conformational space annealing method to the contact-assisted protein structure modeling in CASP11. For Tp targets, where predicted residue-residue contact information was provided, the contact energy term in the form of the Lorentzian function was implemented together with the physical energy terms used in our template-free modeling of proteins. Although we observed some structural improvement of Tp models over the models predicted without the Tp information, the improvement was not substantial on average. This is partly due to the inaccuracy of the provided contact information, where only about 18% of it was correct. For Ts targets, where the information of ambiguous NOE (Nuclear Overhauser Effect) restraints was provided, we formulated the modeling in terms of the two-tier optimization problem, which covers: (1) the assignment of NOE peaks and (2) the three-dimensional (3D) model generation based on the assigned NOEs. Although solving the problem in a direct manner appears to be intractable at first glance, we demonstrate through CASP11 that remarkably accurate protein 3D modeling is possible by brute force optimization of a relevant energy function. For 19 Ts targets of the average size of 224 residues, generated protein models were of about 3.6 Å Cα atom accuracy. Even greater structural improvement was observed when additional Tc contact information was provided. For 20 out of the total 24 Tc targets, we were able to generate protein structures which were better than the best model from the rest of the CASP11 groups in terms of GDT-TS. Proteins 2016; 84(Suppl 1):189-199. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Comparison of Three Information Sources for Smoking Information in Electronic Health Records

PubMed Central

Wang, Liwei; Ruan, Xiaoyang; Yang, Ping; Liu, Hongfang

2016-01-01

OBJECTIVE The primary aim was to compare independent and joint performance of retrieving smoking status through different sources, including narrative text processed by natural language processing (NLP), patient-provided information (PPI), and diagnosis codes (ie, International Classification of Diseases, Ninth Revision [ICD-9]). We also compared the performance of retrieving smoking strength information (ie, heavy/light smoker) from narrative text and PPI. MATERIALS AND METHODS Our study leveraged an existing lung cancer cohort for smoking status, amount, and strength information, which was manually chart-reviewed. On the NLP side, smoking-related electronic medical record (EMR) data were retrieved first. A pattern-based smoking information extraction module was then implemented to extract smoking-related information. After that, heuristic rules were used to obtain smoking status-related information. Smoking information was also obtained from structured data sources based on diagnosis codes and PPI. Sensitivity, specificity, and accuracy were measured using patients with coverage (ie, the proportion of patients whose smoking status/strength can be effectively determined). RESULTS NLP alone has the best overall performance for smoking status extraction (patient coverage: 0.88; sensitivity: 0.97; specificity: 0.70; accuracy: 0.88); combining PPI with NLP further improved patient coverage to 0.96. ICD-9 does not provide additional improvement to NLP and its combination with PPI. For smoking strength, combining NLP with PPI has slight improvement over NLP alone. CONCLUSION These findings suggest that narrative text could serve as a more reliable and comprehensive source for obtaining smoking-related information than structured data sources. PPI, the readily available structured data, could be used as a complementary source for more comprehensive patient coverage. PMID:27980387

Extraction, integration and analysis of alternative splicing and protein structure distributed information

PubMed Central

D'Antonio, Matteo; Masseroli, Marco

2009-01-01

Background Alternative splicing has been demonstrated to affect most of human genes; different isoforms from the same gene encode for proteins which differ for a limited number of residues, thus yielding similar structures. This suggests possible correlations between alternative splicing and protein structure. In order to support the investigation of such relationships, we have developed the Alternative Splicing and Protein Structure Scrutinizer (PASS), a Web application to automatically extract, integrate and analyze human alternative splicing and protein structure data sparsely available in the Alternative Splicing Database, Ensembl databank and Protein Data Bank. Primary data from these databases have been integrated and analyzed using the Protein Identifier Cross-Reference, BLAST, CLUSTALW and FeatureMap3D software tools. Results A database has been developed to store the considered primary data and the results from their analysis; a system of Perl scripts has been implemented to automatically create and update the database and analyze the integrated data; a Web interface has been implemented to make the analyses easily accessible; a database has been created to manage user accesses to the PASS Web application and store user's data and searches. Conclusion PASS automatically integrates data from the Alternative Splicing Database with protein structure data from the Protein Data Bank. Additionally, it comprehensively analyzes the integrated data with publicly available well-known bioinformatics tools in order to generate structural information of isoform pairs. Further analysis of such valuable information might reveal interesting relationships between alternative splicing and protein structure differences, which may be significantly associated with different functions. PMID:19828075

Chemical shift and electric field gradient tensors for the amide and carboxyl hydrogens in the model peptide N-acetyl-D,L-valine. Single-crystal deuterium NMR study.

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

Gerald, R. E., II; Bernhard, T.; Haeberlen, U.

1993-01-01

Solid-state NMR spectroscopy is well established as a method for describing molecular structure with resolution on the atomic scale. Many of the NMR observables result from anisotropic interactions between the nuclear spin and its environment. These observables can be described by second-rank tensors. For example, the eigenvalues of the traceless symmetric part of the hydrogen chemical shift (CS) tensor provide information about the strength of inter- or intramolecular hydrogen bonding. On the other hand, the eigenvectors of the deuterium electric field gradient (EFG) tensor give deuteron/proton bond directions with an accuracy rivalled only by neutron diffraction. In this paper themore » authors report structural information of this type for the amide and carboxyl hydrogen sites in a single crystal of the model peptide N-acetyl-D,L-valine (NAV). They use deuterium NMR to infer both the EFG and CS tensors at the amide and carboxyl hydrogen sites in NAV. Advantages of this technique over multiple-pulse proton NMR are that it works in the presence of {sup 14}N spins which are very hard to decouple from protons and that additional information in form of the EFG tensors can be derived. The change in the CS and EFG tensors upon exchange of a deuteron for a proton (the isotope effect) is anticipated to be very small; the effect on the CS tensors is certainly smaller than the experimental errors. NAV has served as a model peptide before in a variety of NMR studies, including those concerned with developing solid-state NMR spectroscopy as a method for determining the structure of proteins. NMR experiments on peptide or protein samples which are oriented in at least one dimension can provide important information about the three-dimensional structure of the peptide or the protein. In order to interpret the NMR data in terms of the structure of the polypeptide, the relationship of the CS and EFG tensors to the local symmetry elements of an amino acide, e.g., the peptide plane, is essential. The main purpose of this work is to investigate this relationship for the amide hydrogen CS tensor. The amide hydrogen CS tensor will also provide orientational information for peptide bonds in proteins complementary to that from the nitrogen CS and EFG tensors and the nitrogen-hydrogen heteronuclear dipole-dipole coupling which have been used previously to determine protein structures by solid-state NMR spectroscopy. This information will be particularly valuable because the amide hydrogen CS tensor is not axially symmetric. In addition, the use of the amide hydrogen CS interaction in high-field solid-state NMR experiments will increase the available resolution among peptide sites.« less

Enhancing response coordination through the assessment of response network structural dynamics

PubMed Central

Jalili, Mahdi; Choi, Soo-Mi

2018-01-01

Preparing for intensifying threats of emergencies in unexpected, dangerous, and serious natural or man-made events, and consequent management of the situation, is highly demanding in terms of coordinating the personnel and resources to support human lives and the environment. This necessitates prompt action to manage the uncertainties and risks imposed by such extreme events, which requires collaborative operation among different stakeholders (i.e., the personnel from both the state and local communities). This research aims to find a way to enhance the coordination of multi-organizational response operations. To do so, this manuscript investigates the role of participants in the formed coordination response network and also the emergence and temporal dynamics of the network. By analyzing an inter-personal response coordination operation to an extreme bushfire event, the networks’ and participants’ structural change is evaluated during the evolution of the operation network over four time durations. The results reveal that the coordination response network becomes more decentralized over time due to the high volume of communication required to exchange information. New emerging communication structures often do not fit the developed plans, which stress the need for coordination by feedback in addition to by plan. In addition, we find that the participant’s brokering role in the response operation network identifies a formal and informal coordination role. This is useful for comparison of network structures to examine whether what really happens during response operations complies with the initial policy. PMID:29447192

Enhancing response coordination through the assessment of response network structural dynamics.

PubMed

Abbasi, Alireza; Sadeghi-Niaraki, Abolghasem; Jalili, Mahdi; Choi, Soo-Mi

2018-01-01

Preparing for intensifying threats of emergencies in unexpected, dangerous, and serious natural or man-made events, and consequent management of the situation, is highly demanding in terms of coordinating the personnel and resources to support human lives and the environment. This necessitates prompt action to manage the uncertainties and risks imposed by such extreme events, which requires collaborative operation among different stakeholders (i.e., the personnel from both the state and local communities). This research aims to find a way to enhance the coordination of multi-organizational response operations. To do so, this manuscript investigates the role of participants in the formed coordination response network and also the emergence and temporal dynamics of the network. By analyzing an inter-personal response coordination operation to an extreme bushfire event, the networks' and participants' structural change is evaluated during the evolution of the operation network over four time durations. The results reveal that the coordination response network becomes more decentralized over time due to the high volume of communication required to exchange information. New emerging communication structures often do not fit the developed plans, which stress the need for coordination by feedback in addition to by plan. In addition, we find that the participant's brokering role in the response operation network identifies a formal and informal coordination role. This is useful for comparison of network structures to examine whether what really happens during response operations complies with the initial policy.

Diagnostic value of the fast-FLAIR sequence in MR imaging of intracranial tumors.

PubMed

Husstedt, H W; Sickert, M; Köstler, H; Haubitz, B; Becker, H

2000-01-01

The aim of this study was to quantify imaging characteristics of fast fluid-attenuated inversion recovery (FLAIR) sequence in brain tumors compared with T1-postcontrast- and T2-sequences. Fast-FLAIR-, T2 fast spin echo (FSE)-, and T1 SE postcontrast images of 74 patients with intracranial neoplasms were analyzed. Four neuroradiologists rated signal intensity and inhomogeneity of the tumor, rendering of cystic parts, demarcation of the tumor vs brain, of the tumor vs edema and of brain vs edema, as well as the presence of motion and of other artifacts. Data analysis was performed for histologically proven astrocytomas, glioblastomas, and meningiomas, for tumors with poor contrast enhancement, and for all patients pooled. Only for tumors with poor contrast enhancement (n = 12) did fast FLAIR provide additional information about the lesion. In these cases, signal intensity, demarcation of the tumor vs brain, and differentiation of the tumor vs edema were best using fast FLAIR. In all cases, rendering of the tumor's inner structure was poor. For all other tumor types, fast FLAIR did not give clinically relevant information, the only exception being a better demarcation of the edema from brain tissue. Artifacts rarely interfered with evaluation of fast-FLAIR images. Thus, fast FLAIR cannot replace T2-weighted series. It provides additional information only in tumors with poor contrast enhancement. It is helpful for defining the exact extent of the edema of any tumor but gives little information about their inner structure.

Electrophysiological responses to argument structure violations in healthy adults and individuals with agrammatic aphasia

PubMed Central

Kielar, Aneta; Meltzer-Asscher, Aya; Thompson, Cynthia

2012-01-01

Sentence comprehension requires processing of argument structure information associated with verbs, i.e. the number and type of arguments that they select. Many individuals with agrammatic aphasia show impaired production of verbs with greater argument structure density. The extent to which these participants also show argument structure deficits during comprehension, however, is unclear. Some studies find normal access to verb arguments, whereas others report impaired ability. The present study investigated verb argument structure processing in agrammatic aphasia by examining event-related potentials associated with argument structure violations in healthy young and older adults as well as aphasic individuals. A semantic violation condition was included to investigate possible differences in sensitivity to semantic and argument structure information during sentence processing. Results for the healthy control participants showed a negativity followed by a positive shift (N400-P600) in the argument structure violation condition, as found in previous ERP studies (Friederici & Frisch, 2000; Frisch, Hahne, & Friederici, 2004). In contrast, individuals with agrammatic aphasia showed a P600, but no N400, response to argument structure mismatches. Additionally, compared to the control groups, the agrammatic participants showed an attenuated, but relatively preserved, N400 response to semantic violations. These data show that agrammatic individuals do not demonstrate normal real-time sensitivity to verb argument structure requirements during sentence processing. PMID:23022079

Exploring representations of protein structure for automated remote homology detection and mapping of protein structure space

PubMed Central

2014-01-01

Background Due to rapid sequencing of genomes, there are now millions of deposited protein sequences with no known function. Fast sequence-based comparisons allow detecting close homologs for a protein of interest to transfer functional information from the homologs to the given protein. Sequence-based comparison cannot detect remote homologs, in which evolution has adjusted the sequence while largely preserving structure. Structure-based comparisons can detect remote homologs but most methods for doing so are too expensive to apply at a large scale over structural databases of proteins. Recently, fragment-based structural representations have been proposed that allow fast detection of remote homologs with reasonable accuracy. These representations have also been used to obtain linearly-reducible maps of protein structure space. It has been shown, as additionally supported from analysis in this paper that such maps preserve functional co-localization of the protein structure space. Methods Inspired by a recent application of the Latent Dirichlet Allocation (LDA) model for conducting structural comparisons of proteins, we propose higher-order LDA-obtained topic-based representations of protein structures to provide an alternative route for remote homology detection and organization of the protein structure space in few dimensions. Various techniques based on natural language processing are proposed and employed to aid the analysis of topics in the protein structure domain. Results We show that a topic-based representation is just as effective as a fragment-based one at automated detection of remote homologs and organization of protein structure space. We conduct a detailed analysis of the information content in the topic-based representation, showing that topics have semantic meaning. The fragment-based and topic-based representations are also shown to allow prediction of superfamily membership. Conclusions This work opens exciting venues in designing novel representations to extract information about protein structures, as well as organizing and mining protein structure space with mature text mining tools. PMID:25080993

Comparing the neural basis of monetary reward and cognitive feedback during information-integration category learning.

PubMed

Daniel, Reka; Pollmann, Stefan

2010-01-06

The dopaminergic system is known to play a central role in reward-based learning (Schultz, 2006), yet it was also observed to be involved when only cognitive feedback is given (Aron et al., 2004). Within the domain of information-integration category learning, in which information from several stimulus dimensions has to be integrated predecisionally (Ashby and Maddox, 2005), the importance of contingent feedback is well established (Maddox et al., 2003). We examined the common neural correlates of reward anticipation and prediction error in this task. Sixteen subjects performed two parallel information-integration tasks within a single event-related functional magnetic resonance imaging session but received a monetary reward only for one of them. Similar functional areas including basal ganglia structures were activated in both task versions. In contrast, a single structure, the nucleus accumbens, showed higher activation during monetary reward anticipation compared with the anticipation of cognitive feedback in information-integration learning. Additionally, this activation was predicted by measures of intrinsic motivation in the cognitive feedback task and by measures of extrinsic motivation in the rewarded task. Our results indicate that, although all other structures implicated in category learning are not significantly affected by altering the type of reward, the nucleus accumbens responds to the positive incentive properties of an expected reward depending on the specific type of the reward.

Oscillating water column structural model

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

Copeland, Guild; Bull, Diana L; Jepsen, Richard Alan

2014-09-01

An oscillating water column (OWC) wave energy converter is a structure with an opening to the ocean below the free surface, i.e. a structure with a moonpool. Two structural models for a non-axisymmetric terminator design OWC, the Backward Bent Duct Buoy (BBDB) are discussed in this report. The results of this structural model design study are intended to inform experiments and modeling underway in support of the U.S. Department of Energy (DOE) initiated Reference Model Project (RMP). A detailed design developed by Re Vision Consulting used stiffeners and girders to stabilize the structure against the hydrostatic loads experienced by amore » BBDB device. Additional support plates were added to this structure to account for loads arising from the mooring line attachment points. A simplified structure was designed in a modular fashion. This simplified design allows easy alterations to the buoyancy chambers and uncomplicated analysis of resulting changes in buoyancy.« less

WikiHyperGlossary (WHG): an information literacy technology for chemistry documents.

PubMed

Bauer, Michael A; Berleant, Daniel; Cornell, Andrew P; Belford, Robert E

2015-01-01

The WikiHyperGlossary is an information literacy technology that was created to enhance reading comprehension of documents by connecting them to socially generated multimedia definitions as well as semantically relevant data. The WikiHyperGlossary enhances reading comprehension by using the lexicon of a discipline to generate dynamic links in a document to external resources that can provide implicit information the document did not explicitly provide. Currently, the most common method to acquire additional information when reading a document is to access a search engine and browse the web. This may lead to skimming of multiple documents with the novice actually never returning to the original document of interest. The WikiHyperGlossary automatically brings information to the user within the current document they are reading, enhancing the potential for deeper document understanding. The WikiHyperGlossary allows users to submit a web URL or text to be processed against a chosen lexicon, returning the document with tagged terms. The selection of a tagged term results in the appearance of the WikiHyperGlossary Portlet containing a definition, and depending on the type of word, tabs to additional information and resources. Current types of content include multimedia enhanced definitions, ChemSpider query results, 3D molecular structures, and 2D editable structures connected to ChemSpider queries. Existing glossaries can be bulk uploaded, locked for editing and associated with multiple social generated definitions. The WikiHyperGlossary leverages both social and semantic web technologies to bring relevant information to a document. This can not only aid reading comprehension, but increases the users' ability to obtain additional information within the document. We have demonstrated a molecular editor enabled knowledge framework that can result in a semantic web inductive reasoning process, and integration of the WikiHyperGlossary into other software technologies, like the Jikitou Biomedical Question and Answer system. Although this work was developed in the chemical sciences and took advantage of open science resources and initiatives, the technology is extensible to other knowledge domains. Through the DeepLit (Deeper Literacy: Connecting Documents to Data and Discourse) startup, we seek to extend WikiHyperGlossary technologies to other knowledge domains, and integrate them into other knowledge acquisition workflows.

Connectomics-based analysis of information flow in the Drosophila brain.

PubMed

Shih, Chi-Tin; Sporns, Olaf; Yuan, Shou-Li; Su, Ta-Shun; Lin, Yen-Jen; Chuang, Chao-Chun; Wang, Ting-Yuan; Lo, Chung-Chuang; Greenspan, Ralph J; Chiang, Ann-Shyn

2015-05-18

Understanding the overall patterns of information flow within the brain has become a major goal of neuroscience. In the current study, we produced a first draft of the Drosophila connectome at the mesoscopic scale, reconstructed from 12,995 images of neuron projections collected in FlyCircuit (version 1.1). Neuron polarities were predicted according to morphological criteria, with nodes of the network corresponding to brain regions designated as local processing units (LPUs). The weight of each directed edge linking a pair of LPUs was determined by the number of neuron terminals that connected one LPU to the other. The resulting network showed hierarchical structure and small-world characteristics and consisted of five functional modules that corresponded to sensory modalities (olfactory, mechanoauditory, and two visual) and the pre-motor center. Rich-club organization was present in this network and involved LPUs in all sensory centers, and rich-club members formed a putative motor center of the brain. Major intra- and inter-modular loops were also identified that could play important roles for recurrent and reverberant information flow. The present analysis revealed whole-brain patterns of network structure and information flow. Additionally, we propose that the overall organizational scheme showed fundamental similarities to the network structure of the mammalian brain. Copyright © 2015 Elsevier Ltd. All rights reserved.

Extraction of information on macromolecular interactions from fluorescence micro-spectroscopy measurements in the presence and absence of FRET.

PubMed

Raicu, Valerică

2018-06-15

Investigations of static or dynamic interactions between proteins or other biological macromolecules in living cells often rely on the use of fluorescent tags with two different colors in conjunction with adequate theoretical descriptions of Förster Resonance Energy Transfer (FRET) and molecular-level micro-spectroscopic technology. One such method based on these general principles is FRET spectrometry, which allows determination of the quaternary structure of biomolecules from cell-level images of the distributions, or spectra of occurrence frequency of FRET efficiencies. Subsequent refinements allowed combining FRET frequency spectra with molecular concentration information, thereby providing the proportion of molecular complexes with various quaternary structures as well as their binding/dissociation energies. In this paper, we build on the mathematical principles underlying FRET spectrometry to propose two new spectrometric methods, which have distinct advantages compared to other methods. One of these methods relies on statistical analysis of color mixing in subpopulations of fluorescently tagged molecules to probe molecular association stoichiometry, while the other exploits the color shift induced by FRET to also derive geometric information in addition to stoichiometry. The appeal of the first method stems from its sheer simplicity, while the strength of the second consists in its ability to provide structural information. Copyright © 2018 Elsevier B.V. All rights reserved.

Modeling information diffusion in time-varying community networks

NASA Astrophysics Data System (ADS)

Cui, Xuelian; Zhao, Narisa

2017-12-01

Social networks are rarely static, and they typically have time-varying network topologies. A great number of studies have modeled temporal networks and explored social contagion processes within these models; however, few of these studies have considered community structure variations. In this paper, we present a study of how the time-varying property of a modular structure influences the information dissemination. First, we propose a continuous-time Markov model of information diffusion where two parameters, mobility rate and community attractiveness, are introduced to address the time-varying nature of the community structure. The basic reproduction number is derived, and the accuracy of this model is evaluated by comparing the simulation and theoretical results. Furthermore, numerical results illustrate that generally both the mobility rate and community attractiveness significantly promote the information diffusion process, especially in the initial outbreak stage. Moreover, the strength of this promotion effect is much stronger when the modularity is higher. Counterintuitively, it is found that when all communities have the same attractiveness, social mobility no longer accelerates the diffusion process. In addition, we show that the local spreading in the advantage group has been greatly enhanced due to the agglomeration effect caused by the social mobility and community attractiveness difference, which thus increases the global spreading.

Extraction of information on macromolecular interactions from fluorescence micro-spectroscopy measurements in the presence and absence of FRET

NASA Astrophysics Data System (ADS)

Raicu, Valerică

2018-06-01

Investigations of static or dynamic interactions between proteins or other biological macromolecules in living cells often rely on the use of fluorescent tags with two different colors in conjunction with adequate theoretical descriptions of Förster Resonance Energy Transfer (FRET) and molecular-level micro-spectroscopic technology. One such method based on these general principles is FRET spectrometry, which allows determination of the quaternary structure of biomolecules from cell-level images of the distributions, or spectra of occurrence frequency of FRET efficiencies. Subsequent refinements allowed combining FRET frequency spectra with molecular concentration information, thereby providing the proportion of molecular complexes with various quaternary structures as well as their binding/dissociation energies. In this paper, we build on the mathematical principles underlying FRET spectrometry to propose two new spectrometric methods, which have distinct advantages compared to other methods. One of these methods relies on statistical analysis of color mixing in subpopulations of fluorescently tagged molecules to probe molecular association stoichiometry, while the other exploits the color shift induced by FRET to also derive geometric information in addition to stoichiometry. The appeal of the first method stems from its sheer simplicity, while the strength of the second consists in its ability to provide structural information.

Simulated environmental transport distances of Lepeophtheirus salmonis in Loch Linnhe, Scotland, for informing aquaculture area management structures.

PubMed

Salama, N K G; Murray, A G; Rabe, B

2016-04-01

In the majority of salmon farming countries, production occurs in zones where practices are coordinated to manage disease agents such as Lepeophtheirus salmonis. To inform the structure of zones in specific systems, models have been developed accounting for parasite biology and system hydrodynamics. These models provide individual system farm relationships, and as such, it may be beneficial to produce more generalized principles for informing structures. Here, we use six different forcing scenarios to provide simulations from a previously described model of the Loch Linnhe system, Scotland, to assess the maximum dispersal distance of lice particles released from 12 sites transported over 19 day. Results indicate that the median distance travelled is 6.1 km from release site with <2.5% transported beyond 15 km, which occurs from particles originating from half of the release sites, with an absolute simulated distance of 36 km observed. This provides information suggesting that the disease management areas developed for infectious salmon anaemia control may also have properties appropriate for salmon lice management in Scottish coastal waters. Additionally, general numerical descriptors of the simulated relative lice abundance reduction with increased distance from release location are proposed. © 2015 Crown copyright. © 2015 John Wiley & Sons Ltd.

Structural characterization of framework–gas interactions in the metal–organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction† †Electronic supplementary information (ESI) available: Supplementary figures, crystallographic information, adsorption isotherms and fits, CCDC 1530119–1530126. For ESI and crystallographic data in CIF or other electronic format. See DOI: 10.1039/c7sc00449d Click here for additional data file. Click here for additional data file.

PubMed Central

Gonzalez, Miguel I.; Mason, Jarad A.; Bloch, Eric D.; Teat, Simon J.; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy L.

2017-01-01

The crystallographic characterization of framework–guest interactions in metal–organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with adsorption behavior. Here, techniques developed for in situ single-crystal X-ray diffraction experiments on porous crystals have enabled the direct observation of CO, CH4, N2, O2, Ar, and P4 adsorption in Co2(dobdc) (dobdc4– = 2,5-dioxido-1,4-benzenedicarboxylate), a metal–organic framework bearing coordinatively unsaturated cobalt(ii) sites. All these molecules exhibit such weak interactions with the high-spin cobalt(ii) sites in the framework that no analogous molecular structures exist, demonstrating the utility of metal–organic frameworks as crystalline matrices for the isolation and structural determination of unstable species. Notably, the Co–CH4 and Co–Ar interactions observed in Co2(dobdc) represent, to the best of our knowledge, the first single-crystal structure determination of a metal–CH4 interaction and the first crystallographically characterized metal–Ar interaction. Analysis of low-pressure gas adsorption isotherms confirms that these gases exhibit mainly physisorptive interactions with the cobalt(ii) sites in Co2(dobdc), with differential enthalpies of adsorption as weak as –17(1) kJ mol–1 (for Ar). Moreover, the structures of Co2(dobdc)·3.8N2, Co2(dobdc)·5.9O2, and Co2(dobdc)·2.0Ar reveal the location of secondary (N2, O2, and Ar) and tertiary (O2) binding sites in Co2(dobdc), while high-pressure CO2, CO, CH4, N2, and Ar adsorption isotherms show that these binding sites become more relevant at elevated pressures. PMID:28966783

Close-range laser scanning in forests: towards physically based semantics across scales.

PubMed

Morsdorf, F; Kükenbrink, D; Schneider, F D; Abegg, M; Schaepman, M E

2018-04-06

Laser scanning with its unique measurement concept holds the potential to revolutionize the way we assess and quantify three-dimensional vegetation structure. Modern laser systems used at close range, be it on terrestrial, mobile or unmanned aerial platforms, provide dense and accurate three-dimensional data whose information just waits to be harvested. However, the transformation of such data to information is not as straightforward as for airborne and space-borne approaches, where typically empirical models are built using ground truth of target variables. Simpler variables, such as diameter at breast height, can be readily derived and validated. More complex variables, e.g. leaf area index, need a thorough understanding and consideration of the physical particularities of the measurement process and semantic labelling of the point cloud. Quantified structural models provide a framework for such labelling by deriving stem and branch architecture, a basis for many of the more complex structural variables. The physical information of the laser scanning process is still underused and we show how it could play a vital role in conjunction with three-dimensional radiative transfer models to shape the information retrieval methods of the future. Using such a combined forward and physically based approach will make methods robust and transferable. In addition, it avoids replacing observer bias from field inventories with instrument bias from different laser instruments. Still, an intensive dialogue with the users of the derived information is mandatory to potentially re-design structural concepts and variables so that they profit most of the rich data that close-range laser scanning provides.

3DIANA: 3D Domain Interaction Analysis: A Toolbox for Quaternary Structure Modeling

PubMed Central

Segura, Joan; Sanchez-Garcia, Ruben; Tabas-Madrid, Daniel; Cuenca-Alba, Jesus; Sorzano, Carlos Oscar S.; Carazo, Jose Maria

2016-01-01

Electron microscopy (EM) is experiencing a revolution with the advent of a new generation of Direct Electron Detectors, enabling a broad range of large and flexible structures to be resolved well below 1 nm resolution. Although EM techniques are evolving to the point of directly obtaining structural data at near-atomic resolution, for many molecules the attainable resolution might not be enough to propose high-resolution structural models. However, accessing information on atomic coordinates is a necessary step toward a deeper understanding of the molecular mechanisms that allow proteins to perform specific tasks. For that reason, methods for the integration of EM three-dimensional maps with x-ray and NMR structural data are being developed, a modeling task that is normally referred to as fitting, resulting in the so called hybrid models. In this work, we present a novel application—3DIANA—specially targeted to those cases in which the EM map resolution is medium or low and additional experimental structural information is scarce or even lacking. In this way, 3DIANA statistically evaluates proposed/potential contacts between protein domains, presents a complete catalog of both structurally resolved and predicted interacting regions involving these domains and, finally, suggests structural templates to model the interaction between them. The evaluation of the proposed interactions is computed with DIMERO, a new method that scores physical binding sites based on the topology of protein interaction networks, which has recently shown the capability to increase by 200% the number of domain-domain interactions predicted in interactomes as compared to previous approaches. The new application displays the information at a sequence and structural level and is accessible through a web browser or as a Chimera plugin at http://3diana.cnb.csic.es. PMID:26772592

PROXiMATE: a database of mutant protein-protein complex thermodynamics and kinetics.

PubMed

Jemimah, Sherlyn; Yugandhar, K; Michael Gromiha, M

2017-09-01

We have developed PROXiMATE, a database of thermodynamic data for more than 6000 missense mutations in 174 heterodimeric protein-protein complexes, supplemented with interaction network data from STRING database, solvent accessibility, sequence, structural and functional information, experimental conditions and literature information. Additional features include complex structure visualization, search and display options, download options and a provision for users to upload their data. The database is freely available at http://www.iitm.ac.in/bioinfo/PROXiMATE/ . The website is implemented in Python, and supports recent versions of major browsers such as IE10, Firefox, Chrome and Opera. gromiha@iitm.ac.in. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Venus Interior Structure Mission (VISM): Establishing a Seismic Network on Venus

NASA Technical Reports Server (NTRS)

Stofan, E. R.; Saunders, R. S.; Senske, D.; Nock, K.; Tralli, D.; Lundgren, P.; Smrekar, S.; Banerdt, B.; Kaiser, W.; Dudenhoefer, J.

1993-01-01

Magellan radar data show the surface of Venus to contain a wide range of geologic features (large volcanoes, extensive rift valleys, etc.). Although networks of interconnecting zones of deformation are identified, a system of spreading ridges and subduction zones like those that dominate the tectonic style of the Earth do not appear to be present. In addition, the absence of a mantle low-viscosity zone suggests a strong link between mantle dynamics and the surface. As a natural follow-on to the Magellan mission, establishing a network of seismometers on Venus will provide detailed quantitative information on the large scale interior structure of the planet. When analyzed in conjunction with image, gravity, and topography information, these data will aid in constraining mechanisms that drive surface deformation.

Long-Wavelength X-Ray Diffraction and Its Applications in Macromolecular Crystallography.

PubMed

Weiss, Manfred S

2017-01-01

For many years, diffraction experiments in macromolecular crystallography at X-ray wavelengths longer than that of Cu-K α (1.54 Å) have been largely underappreciated. Effects caused by increased X-ray absorption result in the fact that these experiments are more difficult than the standard diffraction experiments at short wavelengths. However, due to the also increased anomalous scattering of many biologically relevant atoms, important additional structural information can be obtained. This information, in turn, can be used for phase determination, for substructure identification, in molecular replacement approaches, as well as in structure refinement. This chapter reviews the possibilities and the difficulties associated with such experiments, and it provides a short description of two macromolecular crystallography synchrotron beam lines dedicated to long-wavelength X-ray diffraction experiments.

Purification and sequence characterization of chondroitin sulfate and dermatan sulfate from fishes.

PubMed

Lin, Na; Mo, Xiaoli; Yang, Yang; Zhang, Hong

2017-04-01

Chondroitin sulfate (CS) and dermatan sulfate (DS) were extracted and purified from skins or bones of salmon (Salmo salar), snakehead (Channa argus), monkfish (Lophius litulon) and skipjack tuna (Katsuwonus pelamis). Size, structural sequences and sulfate groups of oligosaccharides in the purified CS and DS could be characterized and identified using high performance liquid chromatography (HPLC) combined with Orbitrap mass spectrometry. CS and DS chain structure varies depending on origin, but motif structure appears consistent. Structures of CS and DS oligosaccharides with different size and sulfate groups were compared between fishes and other animals, and results showed that some minor differences of special structures could be identified by hydrophilic interaction chromatography-liquid chromatography-fourier transform-mass/mass spectrometry (HILIC-LC-FT-MS/MS). For example, data showed that salmon and skipjack CS had a higher percentage content of high-level sulfated oligosaccharides than that porcine CS. In addition, structural information of different origins of CS and DS was analyzed by principal component analysis (PCA) and results showed that CS and DS samples could be differentiated according to their molecular conformation and oligosaccharide fragments information. Understanding CS and DS structure derived from different origins may lead to the production of CS or DS with unique disaccharides or oligosaccharides sequence composition and biological functions.

GalaxyHomomer: a web server for protein homo-oligomer structure prediction from a monomer sequence or structure.

PubMed

Baek, Minkyung; Park, Taeyong; Heo, Lim; Park, Chiwook; Seok, Chaok

2017-07-03

Homo-oligomerization of proteins is abundant in nature, and is often intimately related with the physiological functions of proteins, such as in metabolism, signal transduction or immunity. Information on the homo-oligomer structure is therefore important to obtain a molecular-level understanding of protein functions and their regulation. Currently available web servers predict protein homo-oligomer structures either by template-based modeling using homo-oligomer templates selected from the protein structure database or by ab initio docking of monomer structures resolved by experiment or predicted by computation. The GalaxyHomomer server, freely accessible at http://galaxy.seoklab.org/homomer, carries out template-based modeling, ab initio docking or both depending on the availability of proper oligomer templates. It also incorporates recently developed model refinement methods that can consistently improve model quality. Moreover, the server provides additional options that can be chosen by the user depending on the availability of information on the monomer structure, oligomeric state and locations of unreliable/flexible loops or termini. The performance of the server was better than or comparable to that of other available methods when tested on benchmark sets and in a recent CASP performed in a blind fashion. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Evaluation of SHM system produced by additive manufacturing via acoustic emission and other NDT methods.

PubMed

Strantza, Maria; Aggelis, Dimitrios G; de Baere, Dieter; Guillaume, Patrick; van Hemelrijck, Danny

2015-10-21

During the last decades, structural health monitoring (SHM) systems are used in order to detect damage in structures. We have developed a novel structural health monitoring approach, the so-called "effective structural health monitoring" (eSHM) system. The current SHM system is incorporated into a metallic structure by means of additive manufacturing (AM) and has the possibility to advance life safety and reduce direct operative costs. It operates based on a network of capillaries that are integrated into an AM structure. The internal pressure of the capillaries is continuously monitored by a pressure sensor. When a crack nucleates and reaches the capillary, the internal pressure changes signifying the existence of the flaw. The main objective of this paper is to evaluate the crack detection capacity of the eSHM system and crack location accuracy by means of various non-destructive testing (NDT) techniques. During this study, detailed acoustic emission (AE) analysis was applied in AM materials for the first time in order to investigate if phenomena like the Kaiser effect and waveform parameters used in conventional metals can offer valuable insight into the damage accumulation of the AM structure as well. Liquid penetrant inspection, eddy current and radiography were also used in order to confirm the fatigue damage and indicate the damage location on un-notched four-point bending AM metallic specimens with an integrated eSHM system. It is shown that the eSHM system in combination with NDT can provide correct information on the damage condition of additive manufactured metals.

Evaluation of SHM System Produced by Additive Manufacturing via Acoustic Emission and Other NDT Methods

PubMed Central

Strantza, Maria; Aggelis, Dimitrios G.; de Baere, Dieter; Guillaume, Patrick; van Hemelrijck, Danny

2015-01-01

During the last decades, structural health monitoring (SHM) systems are used in order to detect damage in structures. We have developed a novel structural health monitoring approach, the so-called “effective structural health monitoring” (eSHM) system. The current SHM system is incorporated into a metallic structure by means of additive manufacturing (AM) and has the possibility to advance life safety and reduce direct operative costs. It operates based on a network of capillaries that are integrated into an AM structure. The internal pressure of the capillaries is continuously monitored by a pressure sensor. When a crack nucleates and reaches the capillary, the internal pressure changes signifying the existence of the flaw. The main objective of this paper is to evaluate the crack detection capacity of the eSHM system and crack location accuracy by means of various non-destructive testing (NDT) techniques. During this study, detailed acoustic emission (AE) analysis was applied in AM materials for the first time in order to investigate if phenomena like the Kaiser effect and waveform parameters used in conventional metals can offer valuable insight into the damage accumulation of the AM structure as well. Liquid penetrant inspection, eddy current and radiography were also used in order to confirm the fatigue damage and indicate the damage location on un-notched four-point bending AM metallic specimens with an integrated eSHM system. It is shown that the eSHM system in combination with NDT can provide correct information on the damage condition of additive manufactured metals. PMID:26506349

C-13 nuclear magnetic resonance in organic geochemistry.

NASA Technical Reports Server (NTRS)

Balogh, B.; Wilson, D. M.; Burlingame, A. L.

1972-01-01

Study of C-13 nuclear magnetic resonance (NMR) spectra of polycyclic fused systems. The fingerprint qualities of the natural abundance in C-13 NMR spectra permitting unequivocal identification of these compounds is discussed. The principle of structural additivity of C-13 NMR information is exemplified on alpha and beta androstanes, alpha and beta cholestanes, ergostanes, sitostanes, and isodecanes.

Growth, yield, and structure of extended rotation Pinus resinosa stands in Minnesota, USA

Treesearch

Anthony W. D' Amato; Brian J. Palik; Christel C. Kern

2010-01-01

Extended rotations are increasingly used to meet ecological objectives on forestland; however, information about long-term growth and yield of these systems is lacking for most forests in North America. Additionally, long-term growth responses to repeated thinnings in older stands have received little attention. We addressed these needs by examining the growth and...

Features and Historical Aspects of the Philippines Educational System

ERIC Educational Resources Information Center

Musa, Sajid; Ziatdinov, Rushan

2012-01-01

This article deals with the features of the Philippine educational system. Additionally, brief and concise information will be given on how the educational system came into existence, the organization and the structure of the system itself. This paper also tackles the obstacles and problems observed in the past and up to the present, and gives…

[A web-based integrated clinical database for laryngeal cancer].

PubMed

E, Qimin; Liu, Jialin; Li, Yong; Liang, Chuanyu

2014-08-01

To establish an integrated database for laryngeal cancer, and to provide an information platform for laryngeal cancer in clinical and fundamental researches. This database also meet the needs of clinical and scientific use. Under the guidance of clinical expert, we have constructed a web-based integrated clinical database for laryngeal carcinoma on the basis of clinical data standards, Apache+PHP+MySQL technology, laryngeal cancer specialist characteristics and tumor genetic information. A Web-based integrated clinical database for laryngeal carcinoma had been developed. This database had a user-friendly interface and the data could be entered and queried conveniently. In addition, this system utilized the clinical data standards and exchanged information with existing electronic medical records system to avoid the Information Silo. Furthermore, the forms of database was integrated with laryngeal cancer specialist characteristics and tumor genetic information. The Web-based integrated clinical database for laryngeal carcinoma has comprehensive specialist information, strong expandability, high feasibility of technique and conforms to the clinical characteristics of laryngeal cancer specialties. Using the clinical data standards and structured handling clinical data, the database can be able to meet the needs of scientific research better and facilitate information exchange, and the information collected and input about the tumor sufferers are very informative. In addition, the user can utilize the Internet to realize the convenient, swift visit and manipulation on the database.

Formal and informal authority of hospital directors.

PubMed

Nirel, N; Schmid, H; Stern, Z

1994-01-01

Describes and contrasts the perceptions of formal and informal authority of hospital directors of two different kinds of organizations: hospitals that are part of public multi-hospital organizations (PMOs) and independent hospitals. Indicates that all the directors perceive their formal authority to be greater than their formal authority. However, there is a gap in the perception of formal and informal authority by directors of the two types of hospital. Directors of independent hospitals perceive themselves to have more formal and informal authority than do their colleagues at hospitals that are part of PMOs. Both structural and personal explanations for these findings are given. In addition, discusses the implications for policy making of the source of authority, informal, and formal authority in the transition to autonomous semi-independent hospitals in a changing environment.

Difficult macromolecular structures determined using X-ray diffraction techniques.

PubMed

Hernández-Santoyo, Alejandra

2012-07-01

Macromolecular crystallography has been, for the last few decades, the main source of structural information of biological macromolecular systems and it is one of the most powerful techniques for the analysis of enzyme mechanisms and macromolecular interactions at the atomic level. In addition, it is also an extremely powerful tool for drug design. Recent technological and methodological developments in macromolecular X-ray crystallography have allowed solving structures that until recently were considered difficult or even impossible, such as structures at atomic or subatomic resolution or large macromolecular complexes and assemblies at low resolution. These developments have also helped to solve the 3D-structure of macromolecules from twin crystals. Recently, this technique complemented with cryo-electron microscopy and neutron crystallography has provided the structure of large macromolecular machines with great precision allowing understanding of the mechanisms of their function.

Imaging of thymic disorders

PubMed Central

Bogot, Naama R; Quint, Leslie E

2005-01-01

Evaluation of the thymus poses a challenge to the radiologist. In addition to age-related changes in thymic size, shape, and tissue composition, there is considerable variability in the normal adult thymic appearance within any age group. Many different types of disorders may affect the thymus, including hyperplasia, cysts, and benign and malignant neoplasms, both primary and secondary; clinical and imaging findings typical for each disease process are described in this article. Whereas computed tomography is the mainstay for imaging the thymus, other imaging modalities may occasionally provide additional structural or functional information. PMID:16361143

A spectral-structural bag-of-features scene classifier for very high spatial resolution remote sensing imagery

NASA Astrophysics Data System (ADS)

Zhao, Bei; Zhong, Yanfei; Zhang, Liangpei

2016-06-01

Land-use classification of very high spatial resolution remote sensing (VHSR) imagery is one of the most challenging tasks in the field of remote sensing image processing. However, the land-use classification is hard to be addressed by the land-cover classification techniques, due to the complexity of the land-use scenes. Scene classification is considered to be one of the expected ways to address the land-use classification issue. The commonly used scene classification methods of VHSR imagery are all derived from the computer vision community that mainly deal with terrestrial image recognition. Differing from terrestrial images, VHSR images are taken by looking down with airborne and spaceborne sensors, which leads to the distinct light conditions and spatial configuration of land cover in VHSR imagery. Considering the distinct characteristics, two questions should be answered: (1) Which type or combination of information is suitable for the VHSR imagery scene classification? (2) Which scene classification algorithm is best for VHSR imagery? In this paper, an efficient spectral-structural bag-of-features scene classifier (SSBFC) is proposed to combine the spectral and structural information of VHSR imagery. SSBFC utilizes the first- and second-order statistics (the mean and standard deviation values, MeanStd) as the statistical spectral descriptor for the spectral information of the VHSR imagery, and uses dense scale-invariant feature transform (SIFT) as the structural feature descriptor. From the experimental results, the spectral information works better than the structural information, while the combination of the spectral and structural information is better than any single type of information. Taking the characteristic of the spatial configuration into consideration, SSBFC uses the whole image scene as the scope of the pooling operator, instead of the scope generated by a spatial pyramid (SP) commonly used in terrestrial image classification. The experimental results show that the whole image as the scope of the pooling operator performs better than the scope generated by SP. In addition, SSBFC codes and pools the spectral and structural features separately to avoid mutual interruption between the spectral and structural features. The coding vectors of spectral and structural features are then concatenated into a final coding vector. Finally, SSBFC classifies the final coding vector by support vector machine (SVM) with a histogram intersection kernel (HIK). Compared with the latest scene classification methods, the experimental results with three VHSR datasets demonstrate that the proposed SSBFC performs better than the other classification methods for VHSR image scenes.

6-Thioguanine alters the structure and stability of duplex DNA and inhibits quadruplex DNA formation.

PubMed

Marathias, V M; Sawicki, M J; Bolton, P H

1999-07-15

The ability to chemically synthesize biomolecules has opened up the opportunity to observe changes in structure and activity that occur upon single atom substitution. In favorable cases this can provide information about the roles of individual atoms. The substitution of 6-thioguanine (6SG) for guanine is a potentially very useful single atom substitution as 6SG has optical, photocrosslinking, metal ion binding and other properties of potential utility. In addition, 6-mercaptopurine is a clinically important pro-drug that is activated by conversion into 6SG by cells. The results presented here indicate that the presence of 6SG blocks the formation of quadruplex DNA. The presence of 6SG alters the structure and lowers the thermal stability of duplex DNA, but duplex DNA can be formed in the presence of 6SG. These results indicate that some of the cytotoxic activity of 6SG may be due to disruption of the quadruplex structures formed by telomere and other DNAs. This additional mode of action is consistent with the delayed onset of cytotoxicity.

Small angle neutron scattering study of sodium dodecyl sulfate micellar growth driven by addition of a hydrotropic salt.

PubMed

Hassan, P A; Fritz, Gerhard; Kaler, Eric W

2003-01-01

The structures of aggregates formed in aqueous solutions of an anionic surfactant, sodium dodecyl sulfate (SDS), with the addition of a cationic hydrotropic salt, p-toluidine hydrochloride (PTHC), have been investigated by small angle neutron scattering (SANS). The SANS spectra exhibit a pronounced peak at low salt concentration, indicating the presence of repulsive intermicellar interactions. Model-independent real space information about the structure is obtained from a generalized indirect Fourier transformation (GIFT) technique in combination with a suitable model for the interparticle structure factor. The interparticle interaction is captured using the rescaled mean spherical approximation (RMSA) closure relation and a Yukawa form of the interaction potential. Further quantification of the geometrical parameters of the micelles was achieved by a complete fit of the SANS data using a prolate ellipsoidal form factor and the RMSA structure factor. The present study shows that PTHC induces a decrease in the fractional charge of the micelles due to adsorption at the micellar surface and consequent growth of the SDS micelles from nearly globular to rodlike as the concentration of PTHC increases.

Silver-induced reconstruction of an adeninate-based metal–organic framework for encapsulation of luminescent adenine-stabilized silver clusters† †Electronic supplementary information (ESI) available: Experimental details and additional structural, physicochemical and optical characterisation. See DOI: 10.1039/c6tc00260a Click here for additional data file.

PubMed Central

Jonckheere, Dries; Coutino-Gonzalez, Eduardo; Baekelant, Wouter; Bueken, Bart; Reinsch, Helge; Stassen, Ivo; Fenwick, Oliver; Richard, Fanny; Samorì, Paolo; Ameloot, Rob; Hofkens, Johan

2016-01-01

Bright luminescent silver-adenine species were successfully stabilized in the pores of the MOF-69A (zinc biphenyldicarboxylate) metal–organic framework, starting from the intrinsically blue luminescent bio-MOF-1 (zinc adeninate 4,4′-biphenyldicarboxylate). Bio-MOF-1 is transformed to the MOF-69A framework by selectively leaching structural adenine linkers from the original framework using silver nitrate solutions in aqueous ethanol. Simultaneously, bright blue-green luminescent silver-adenine clusters are formed inside the pores of the recrystallized MOF-69A matrix in high local concentrations. The structural transition and concurrent changes in optical properties were characterized using a range of structural, physicochemical and spectroscopic techniques (steady-state and time-resolved luminescence, quantum yield determination, fluorescence microscopy). The presented results open new avenues for exploring the use of MOFs containing luminescent silver clusters for solid-state lighting and sensor applications. PMID:28496980

Structure elucidation of nigricanoside A through enantioselective total synthesis† †Electronic supplementary information (ESI) available: Complete experimental details and characterization data. See DOI: 10.1039/c5sc00281h Click here for additional data file.

PubMed Central

Chen, Jie; Koswatta, Panduka; DeBergh, J. Robb; Fu, Peng; Pan, Ende

2015-01-01

Nigricanoside A was isolated from green alga, and its dimethyl ester was found to display potent cytotoxicity. Its scarcity prevented a full structure elucidation, leaving total synthesis as the only means to determine its relative and absolute stereochemistry and to explore its biological activity. Here we assign the stereochemistry of the natural product through enantioselective total synthesis and provide initial studies of its cytotoxicity. PMID:26877863

AERIAL VIEW, LOOKING NORTH. THE STRUCTURES WITHIN THE WALLED PRECINCT ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

AERIAL VIEW, LOOKING NORTH. THE STRUCTURES WITHIN THE WALLED PRECINCT ONE BLOCK TO THE NORTH OF THE PENITENTIARY (ALONG THE TOP OF THE PHOTOGRAPH) COMPRISE GIRARD COLLEGE. ESTABLISHED IN 1833 UPON THE DEATH OF STEPHEN GIRARD, THE PRECINCT WALL AND ORIGINAL BUILDINGS WERE CONSTRUCTED BETWEEN 1833 AND 1848 ON DESIGNS BY WILLIAM STRICKLAND, WHICH WERE CONCEIVED WITHIN PARAMETERS SET BY GIRARD’S WILL. THE SCHOOL IS STILL USED FOR ITS INTENDED EDUCATIONAL FUNCTION. SEE HABS NO. PA-1731 FOR ADDITIONAL INFORMATION. - Eastern State Penitentiary, 2125 Fairmount Avenue, Philadelphia, Philadelphia County, PA

Space station systems: A bibliography with indexes (supplement 7)

NASA Technical Reports Server (NTRS)

1988-01-01

This bibliography lists 1,158 reports, articles, and other documents introduced into the NASA scientific and technical information system between January 1, 1988 and June 30, 1988. Its purpose is to provide helpful information to researchers, designers and managers engaged in Space Station technology development and mission design. Coverage includes documents that define major systems and subsystems related to structures and dynamic control, electronics and power supplies, propulsion, and payload integration. In addition, orbital construction methods, servicing and support requirements, procedures and operations, and missions for the current and future Space Station are included.

Space station systems: A bibliography with indexes (supplement 10)

NASA Technical Reports Server (NTRS)

1990-01-01

This bibliography lists 1,422 reports, articles, and other documents introduced into the NASA scientific and technical information system between July 1, 1989 and December 31, 1989. Its purpose is to provide helpful information to researchers, designers and managers engaged in Space Station technology development and mission design. Coverage includes documents that define major systems and subsystems related to structures and dynamic control, electronics and power supplies, propulsion, and payload integration. In addition, orbital construction methods, servicing and support requirements, procedures and operations, and missions for the current and future Space Station are included.

Space Station Systems: a Bibliography with Indexes (Supplement 8)

NASA Technical Reports Server (NTRS)

1988-01-01

This bibliography lists 950 reports, articles, and other documents introduced into the NASA scientific and technical information system between July 1, 1989 and December 31, 1989. Its purpose is to provide helpful information to researchers, designers and managers engaged in Space Station technology development and mission design. Coverage includes documents that define major systems and subsystems related to structures and dynamic control, electronics and power supplies, propulsion, and payload integration. In addition, orbital construction methods, servicing and support requirements, procedures and operations, and missions for the current and future Space Station are included.

The concomitant effects of phrase length and informational content in sentence comprehension.

PubMed

Thornton, R; MacDonald, M C; Arnold, J E

2000-03-01

Recent evidence suggests that phrase length plays a crucial role in modification ambiguities. Using a self-paced reading task, we extended these results by examining the additional pragmatic effects that length manipulations may exert. The results demonstrate that length not only modulates modification preferences directly, but that it also necessarily changes the informational content of a sentence, which itself affects modification preferences. Our findings suggest that the same length manipulation affects multiple sources of constraints, both structural and pragmatic, which can each exert differing effects on processing.

Space station systems: A bibliography with indexes (supplement 9)

NASA Technical Reports Server (NTRS)

1989-01-01

This bibliography lists 1,313 reports, articles, and other documents introduced into the NASA scientific and technical information system between January 1, 1989 and June 30, 1989. Its purpose is to provide helpful information to researchers, designers and managers engaged in Space Station technology development and mission design. Coverage includes documents that define major systems and subsystems related to structures and dynamic control, electronics and power supplies, propulsion, and payload integration. In addition, orbital construction methods, servicing and support requirements, procedures and operations, and missions for the current and future Space Station are included.

Electronic document management systems: an overview.

PubMed

Kohn, Deborah

2002-08-01

For over a decade, most health care information technology (IT) professionals erroneously learned that document imaging, which is one of the many component technologies of an electronic document management system (EDMS), is the only technology of an EDMS. In addition, many health care IT professionals erroneously believed that EDMSs have either a limited role or no place in IT environments. As a result, most health care IT professionals do not understand documents and unstructured data and their value as structured data partners in most aspects of transaction and information processing systems.

NASA thesaurus alphabetical update: Subject terms for indexing scientific and technical information

NASA Technical Reports Server (NTRS)

1971-01-01

The NASA THESAURUS - ALPHABETICAL UPDATE is an alphabetical listing of all subject terms (postable and nonpostable) that are currently approved for use in the NASA scientific and technical information system. Contained in the listing are the subject terms that were listed in the Preliminary Edition of the NASA THESAURUS and the additional subject terms that were approved during the period January 1, 1967 June 30, 1971. Complete Thesaurus structuring, including scope notes, category assignments, and cross-references, is provided for each term as appropriate.

PDB file parser and structure class implemented in Python.

PubMed

Hamelryck, Thomas; Manderick, Bernard

2003-11-22

The biopython project provides a set of bioinformatics tools implemented in Python. Recently, biopython was extended with a set of modules that deal with macromolecular structure. Biopython now contains a parser for PDB files that makes the atomic information available in an easy-to-use but powerful data structure. The parser and data structure deal with features that are often left out or handled inadequately by other packages, e.g. atom and residue disorder (if point mutants are present in the crystal), anisotropic B factors, multiple models and insertion codes. In addition, the parser performs some sanity checking to detect obvious errors. The Biopython distribution (including source code and documentation) is freely available (under the Biopython license) from http://www.biopython.org

Seismic instrumentation of buildings

USGS Publications Warehouse

Çelebi, Mehmet

2000-01-01

The purpose of this report is to provide information on how and why we deploy seismic instruments in and around building structures. The recorded response data from buildings and other instrumented structures can be and are being primarily used to facilitate necessary studies to improve building codes and therefore reduce losses of life and property during damaging earthquakes. Other uses of such data can be in emergency response situations in large urban environments. The report discusses typical instrumentation schemes, existing instrumentation programs, the steps generally followed in instrumenting a structure, selection and type of instruments, installation and maintenance requirements and data retrieval and processing issues. In addition, a summary section on how recorded response data have been utilized is included. The benefits from instrumentation of structural systems are discussed.

New software for statistical analysis of Cambridge Structural Database data

PubMed Central

Sykes, Richard A.; McCabe, Patrick; Allen, Frank H.; Battle, Gary M.; Bruno, Ian J.; Wood, Peter A.

2011-01-01

A collection of new software tools is presented for the analysis of geometrical, chemical and crystallographic data from the Cambridge Structural Database (CSD). This software supersedes the program Vista. The new functionality is integrated into the program Mercury in order to provide statistical, charting and plotting options alongside three-dimensional structural visualization and analysis. The integration also permits immediate access to other information about specific CSD entries through the Mercury framework, a common requirement in CSD data analyses. In addition, the new software includes a range of more advanced features focused towards structural analysis such as principal components analysis, cone-angle correction in hydrogen-bond analyses and the ability to deal with topological symmetry that may be exhibited in molecular search fragments. PMID:22477784

Insights to primitive replication derived from structures of small oligonucleotides

NASA Technical Reports Server (NTRS)

Smith, G. K.; Fox, G. E.

1995-01-01

Available information on the structure of small oligonucleotides is surveyed. It is observed that even small oligomers typically exhibit defined structures over a wide range of pH and temperature. These structures rely on a plethora of non-standard base-base interactions in addition to the traditional Watson-Crick pairings. Stable duplexes, though typically antiparallel, can be parallel or staggered and perfect complementarity is not essential. These results imply that primitive template directed reactions do not require high fidelity. Hence, the extensive use of Watson-Crick complementarity in genes rather than being a direct consequence of the primitive condensation process, may instead reflect subsequent selection based on the advantage of accuracy in maintaining the primitive genetic machinery once it arose.

Social network extraction based on Web: 3. the integrated superficial method

NASA Astrophysics Data System (ADS)

Nasution, M. K. M.; Sitompul, O. S.; Noah, S. A.

2018-03-01

The Web as a source of information has become part of the social behavior information. Although, by involving only the limitation of information disclosed by search engines in the form of: hit counts, snippets, and URL addresses of web pages, the integrated extraction method produces a social network not only trusted but enriched. Unintegrated extraction methods may produce social networks without explanation, resulting in poor supplemental information, or resulting in a social network of durmise laden, consequently unrepresentative social structures. The integrated superficial method in addition to generating the core social network, also generates an expanded network so as to reach the scope of relation clues, or number of edges computationally almost similar to n(n - 1)/2 for n social actors.

AQUIS: A PC-based source information manager

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

Smith, A.E.; Huber, C.C.; Tschanz, J.

1993-05-01

The Air Quality Utility Information System (AQUIS) was developed to calculate emissions and track them along with related information about sources, stacks, controls, and permits. The system runs on IBM- compatible personal computers with dBASE IV and tracks more than 1, 200 data items distributed among various source categories. AQUIS is currently operating at 11 US Air Force facilities, which have up to 1, 000 sources, and two headquarters. The system provides a flexible reporting capability that permits users who are unfamiliar with database structure to design and prepare reports containing user- specified information. In addition to the criteria pollutants,more » AQUIS calculates compound-specific emissions and allows users to enter their own emission estimates.« less

AQUIS: A PC-based source information manager

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

Smith, A.E.; Huber, C.C.; Tschanz, J.

1993-01-01

The Air Quality Utility Information System (AQUIS) was developed to calculate emissions and track them along with related information about sources, stacks, controls, and permits. The system runs on IBM- compatible personal computers with dBASE IV and tracks more than 1, 200 data items distributed among various source categories. AQUIS is currently operating at 11 US Air Force facilities, which have up to 1, 000 sources, and two headquarters. The system provides a flexible reporting capability that permits users who are unfamiliar with database structure to design and prepare reports containing user- specified information. In addition to the criteria pollutants,more » AQUIS calculates compound-specific emissions and allows users to enter their own emission estimates.« less

Health Care Merged With Senior Housing: Description and Evaluation of a Successful Program.

PubMed

Barry, Theresa Teta

2017-01-01

Objective: This article describes and evaluates a successful partnership between a large health care organization and housing for seniors. The program provides on-site, primary care visits by a physician and a nurse in addition to intensive social services to residents in an affordable senior housing apartment building located in Pennsylvania. Per Donabedian's "Structure-Process-Outcome" model, the program demonstrated positive health care outcomes for its participants via a prescribed structure. To provide guidance for replication in similar settings, we qualitatively evaluated the processes by which successful outcomes were obtained. Methods: With program structures in place and outcomes measured, this case study collected and analyzed qualitative information taken from key informant interviews on care processes involved in the program. Themes were extracted from semistructured interviews and used to describe the processes that helped and hindered the program. Results and Discussion: Common processes were identified across respondents; however, the nuanced processes that lead to successful outcomes suggest that defined structures and processes may not be sufficient to produce similar outcomes in other settings. Further research is needed to determine the program's replicability and policy implications.

Membrane association of the PTEN tumor suppressor: Neutron scattering and MD simulations reveal the structure of protein-membranes complexes

PubMed Central

Nanda, Hirsh; Heinrich, Frank; Lösche, Mathias

2014-01-01

Neutron reflection (NR) from planar interfaces is an emerging technology that provides unique and otherwise inaccessible structural information on disordered molecular systems such as membrane proteins associated with fluid bilayers, thus addressing one of the remaining challenges of structural biology. Although intrinsically a low-resolution technique, using structural information from crystallography or NMR allows the construction of NR models that describe the architecture of protein-membrane complexes at high resolution. In addition, a combination of these methods with molecular dynamics (MD) simulations has the potential to reveal the dynamics of protein interactions with the bilayer in atomistic detail. We review recent advances in this area by discussing the application of these techniques to the complex formed by the PTEN phosphatase with the plasma membrane. These studies provide insights in the cellular regulation of PTEN, its interaction with PI(4,5)P2 in the inner plasma membrane and the pathway by which its substrate, PI(3,4,5)P3, accesses the PTEN catalytic site. PMID:25461777

Factors affecting the adoption of healthcare information technology.

PubMed

Phichitchaisopa, Nisakorn; Naenna, Thanakorn

2013-01-01

In order to improve the quality and performance of healthcare services, healthcare information technology is among the most important technology in healthcare supply chain management. This study sets out to apply and test the Unified Theory of Acceptance and Use of Technology (UTAUT), to examine the factors influencing healthcare Information Technology (IT) services. A structured questionnaire was developed and distributed to healthcare representatives in each province surveyed in Thailand. Data collected from 400 employees including physicians, nurses, and hospital staff members were tested the model using structural equation modeling technique. The results found that the factors with a significant effect are performance expectancy, effort expectancy and facilitating conditions. They were also found to have a significant impact on behavioral intention to use the acceptance healthcare technology. In addition, in Thai provincial areas, positive significance was found with two factors: social influence on behavioral intention and facilitating conditions to direct using behavior. Based on research findings, in order for healthcare information technology to be widely adopted and used by healthcare staffs in healthcare supply chain management, the healthcare organizational management should improve healthcare staffs' behavioral intention and facilitating conditions.

Alteration processes of alkenones and related lipids in water columns and sediments

NASA Astrophysics Data System (ADS)

Harvey, H. Rodger

2000-08-01

Alkenones produced by the haptophyte algae are currently being used as indices of sea surface temperature in recent and past ocean environments, but limited information is available concerning the impact of biotic and abiotic processes on the integrity of these long chain lipids. This synthesis provides selected background information on major alteration processes that must be considered before such indices can be used with confidence. A number of processes in the water column and surface sediments have the potential to impact the structural integrity of alkenones and compromise their ability as temperature markers. Processes discussed include the alteration of alkenone structure during early diagenesis, direct biotic and abiotic impacts, and the effect of digestive processes by grazers. Current literature suggests that despite substantial changes in concentration from biological processing, the temperature signal is preserved. For each of these processes, information on the integrity of the alkenone isotopic signature is also needed and limited information available is reviewed. In addition to the alkenones, related lipids including the long chain alkadienes and akyl alkenoates that might serve as ancillary markers are discussed.

Factors affecting the adoption of healthcare information technology

PubMed Central

Phichitchaisopa, Nisakorn; Naenna, Thanakorn

2013-01-01

In order to improve the quality and performance of healthcare services, healthcare information technology is among the most important technology in healthcare supply chain management. This study sets out to apply and test the Unified Theory of Acceptance and Use of Technology (UTAUT), to examine the factors influencing healthcare Information Technology (IT) services. A structured questionnaire was developed and distributed to healthcare representatives in each province surveyed in Thailand. Data collected from 400 employees including physicians, nurses, and hospital staff members were tested the model using structural equation modeling technique. The results found that the factors with a significant effect are performance expectancy, effort expectancy and facilitating conditions. They were also found to have a significant impact on behavioral intention to use the acceptance healthcare technology. In addition, in Thai provincial areas, positive significance was found with two factors: social influence on behavioral intention and facilitating conditions to direct using behavior. Based on research findings, in order for healthcare information technology to be widely adopted and used by healthcare staffs in healthcare supply chain management, the healthcare organizational management should improve healthcare staffs' behavioral intention and facilitating conditions. PMID:26417235

Writing Electron Dot Structures: Abstract of Issue 9905M

NASA Astrophysics Data System (ADS)

Magnell, Kenneth R.

1999-10-01

Writing Electron Dot Structures is a computer program for Mac OS that provides drill with feedback for students learning to write electron dot structures. While designed for students in the first year of college general chemistry it may also be used by high school chemistry students. A systematic method similar to that found in many general chemistry texts is employed:

1. determine the number of valence shell electrons,
2. select the central atom,
3. construct a skeleton,
4. add electrons to complete octets,
5. examine the structure for resonance forms.

A Method for WD40 Repeat Detection and Secondary Structure Prediction

PubMed Central

Wang, Yang; Jiang, Fan; Zhuo, Zhu; Wu, Xian-Hui; Wu, Yun-Dong

2013-01-01

WD40-repeat proteins (WD40s), as one of the largest protein families in eukaryotes, play vital roles in assembling protein-protein/DNA/RNA complexes. WD40s fold into similar β-propeller structures despite diversified sequences. A program WDSP (WD40 repeat protein Structure Predictor) has been developed to accurately identify WD40 repeats and predict their secondary structures. The method is designed specifically for WD40 proteins by incorporating both local residue information and non-local family-specific structural features. It overcomes the problem of highly diversified protein sequences and variable loops. In addition, WDSP achieves a better prediction in identifying multiple WD40-domain proteins by taking the global combination of repeats into consideration. In secondary structure prediction, the average Q3 accuracy of WDSP in jack-knife test reaches 93.7%. A disease related protein LRRK2 was used as a representive example to demonstrate the structure prediction. PMID:23776530

Ontology for Structural Geology

NASA Astrophysics Data System (ADS)

Zhong, J.; McGuinness, D. L.; Antonellini, M.; Aydin, A.

2005-12-01

We present our comprehensive process-based ontology for Structural Geology. This ontology covers major domain concepts, especially those related to geological structure type, properties of these structures, their deformation mechanisms, and the factors that control which deformation mechanisms may operate under certain conditions. The structure class in our ontology extends the planetary structure class of the SWEET ontology by providing additional information required for use in the structural geology domain. The classification followed the architectures of structures, such as structure element, set, zone, and pattern. Our deformation mechanism class does not have a corresponding class in SWEET. In our ontology, it has two subclasses, Macro- and Micro- mechanisms. The property class and the factor class are both subclasses of the physical property class of SWEET. Relationships among those concepts are also included in our ontology. For example, the class structure element has properties associated with the deformation mechanisms, descriptive properties such as geometry and morphology, and physical properties of rocks such as strength, compressibility, seismic velocity, porosity, and permeability. The subject matter expertise was provided by domain experts. Additionally, we surveyed text books and journal articles with the goal of evaluating the completeness and correctness of the domain terms and we used logical reasoners and validators to eliminate logical problems. We propose that our ontology provides a reusable extension to the SWEET ontology that may be of value to scientists and lay people interested in structural geology issues. We have also implemented prototype services that utilize this ontology for search.

CCProf: exploring conformational change profile of proteins

PubMed Central

Chang, Che-Wei; Chou, Chai-Wei; Chang, Darby Tien-Hao

2016-01-01

In many biological processes, proteins have important interactions with various molecules such as proteins, ions or ligands. Many proteins undergo conformational changes upon these interactions, where regions with large conformational changes are critical to the interactions. This work presents the CCProf platform, which provides conformational changes of entire proteins, named conformational change profile (CCP) in the context. CCProf aims to be a platform where users can study potential causes of novel conformational changes. It provides 10 biological features, including conformational change, potential binding target site, secondary structure, conservation, disorder propensity, hydropathy propensity, sequence domain, structural domain, phosphorylation site and catalytic site. All these information are integrated into a well-aligned view, so that researchers can capture important relevance between different biological features visually. The CCProf contains 986 187 protein structure pairs for 3123 proteins. In addition, CCProf provides a 3D view in which users can see the protein structures before and after conformational changes as well as binding targets that induce conformational changes. All information (e.g. CCP, binding targets and protein structures) shown in CCProf, including intermediate data are available for download to expedite further analyses. Database URL: http://zoro.ee.ncku.edu.tw/ccprof/ PMID:27016699

GALT protein database, a bioinformatics resource for the management and analysis of structural features of a galactosemia-related protein and its mutants.

PubMed

d'Acierno, Antonio; Facchiano, Angelo; Marabotti, Anna

2009-06-01

We describe the GALT-Prot database and its related web-based application that have been developed to collect information about the structural and functional effects of mutations on the human enzyme galactose-1-phosphate uridyltransferase (GALT) involved in the genetic disease named galactosemia type I. Besides a list of missense mutations at gene and protein sequence levels, GALT-Prot reports the analysis results of mutant GALT structures. In addition to the structural information about the wild-type enzyme, the database also includes structures of over 100 single point mutants simulated by means of a computational procedure, and the analysis to each mutant was made with several bioinformatics programs in order to investigate the effect of the mutations. The web-based interface allows querying of the database, and several links are also provided in order to guarantee a high integration with other resources already present on the web. Moreover, the architecture of the database and the web application is flexible and can be easily adapted to store data related to other proteins with point mutations. GALT-Prot is freely available at http://bioinformatica.isa.cnr.it/GALT/.

C-ME: A 3D Community-Based, Real-Time Collaboration Tool for Scientific Research and Training

PubMed Central

Kolatkar, Anand; Kennedy, Kevin; Halabuk, Dan; Kunken, Josh; Marrinucci, Dena; Bethel, Kelly; Guzman, Rodney; Huckaby, Tim; Kuhn, Peter

2008-01-01

The need for effective collaboration tools is growing as multidisciplinary proteome-wide projects and distributed research teams become more common. The resulting data is often quite disparate, stored in separate locations, and not contextually related. Collaborative Molecular Modeling Environment (C-ME) is an interactive community-based collaboration system that allows researchers to organize information, visualize data on a two-dimensional (2-D) or three-dimensional (3-D) basis, and share and manage that information with collaborators in real time. C-ME stores the information in industry-standard databases that are immediately accessible by appropriate permission within the computer network directory service or anonymously across the internet through the C-ME application or through a web browser. The system addresses two important aspects of collaboration: context and information management. C-ME allows a researcher to use a 3-D atomic structure model or a 2-D image as a contextual basis on which to attach and share annotations to specific atoms or molecules or to specific regions of a 2-D image. These annotations provide additional information about the atomic structure or image data that can then be evaluated, amended or added to by other project members. PMID:18286178

Emergence of consensus as a modular-to-nested transition in communication dynamics

NASA Astrophysics Data System (ADS)

Borge-Holthoefer, Javier; Baños, Raquel A.; Gracia-Lázaro, Carlos; Moreno, Yamir

2017-01-01

Online social networks have transformed the way in which humans communicate and interact, leading to a new information ecosystem where people send and receive information through multiple channels, including traditional communication media. Despite many attempts to characterize the structure and dynamics of these techno-social systems, little is known about fundamental aspects such as how collective attention arises and what determines the information life-cycle. Current approaches to these problems either focus on human temporal dynamics or on semiotic dynamics. In addition, as recently shown, information ecosystems are highly competitive, with humans and memes striving for scarce resources -visibility and attention, respectively. Inspired by similar problems in ecology, here we develop a methodology that allows to cast all the previous aspects into a compact framework and to characterize, using microblogging data, information-driven systems as mutualistic networks. Our results show that collective attention around a topic is reached when the user-meme network self-adapts from a modular to a nested structure, which ultimately allows minimizing competition and attaining consensus. Beyond a sociological interpretation, we explore such resemblance to natural mutualistic communities via well-known dynamics of ecological systems.

Emergence of consensus as a modular-to-nested transition in communication dynamics.

PubMed

Borge-Holthoefer, Javier; Baños, Raquel A; Gracia-Lázaro, Carlos; Moreno, Yamir

2017-01-30

Online social networks have transformed the way in which humans communicate and interact, leading to a new information ecosystem where people send and receive information through multiple channels, including traditional communication media. Despite many attempts to characterize the structure and dynamics of these techno-social systems, little is known about fundamental aspects such as how collective attention arises and what determines the information life-cycle. Current approaches to these problems either focus on human temporal dynamics or on semiotic dynamics. In addition, as recently shown, information ecosystems are highly competitive, with humans and memes striving for scarce resources -visibility and attention, respectively. Inspired by similar problems in ecology, here we develop a methodology that allows to cast all the previous aspects into a compact framework and to characterize, using microblogging data, information-driven systems as mutualistic networks. Our results show that collective attention around a topic is reached when the user-meme network self-adapts from a modular to a nested structure, which ultimately allows minimizing competition and attaining consensus. Beyond a sociological interpretation, we explore such resemblance to natural mutualistic communities via well-known dynamics of ecological systems.

Emergence of consensus as a modular-to-nested transition in communication dynamics

PubMed Central

Borge-Holthoefer, Javier; Baños, Raquel A.; Gracia-Lázaro, Carlos; Moreno, Yamir

2017-01-01

Online social networks have transformed the way in which humans communicate and interact, leading to a new information ecosystem where people send and receive information through multiple channels, including traditional communication media. Despite many attempts to characterize the structure and dynamics of these techno-social systems, little is known about fundamental aspects such as how collective attention arises and what determines the information life-cycle. Current approaches to these problems either focus on human temporal dynamics or on semiotic dynamics. In addition, as recently shown, information ecosystems are highly competitive, with humans and memes striving for scarce resources –visibility and attention, respectively. Inspired by similar problems in ecology, here we develop a methodology that allows to cast all the previous aspects into a compact framework and to characterize, using microblogging data, information-driven systems as mutualistic networks. Our results show that collective attention around a topic is reached when the user-meme network self-adapts from a modular to a nested structure, which ultimately allows minimizing competition and attaining consensus. Beyond a sociological interpretation, we explore such resemblance to natural mutualistic communities via well-known dynamics of ecological systems. PMID:28134358

Quantification of Interbasin Transfers into the Addicks Reservoir during Hurricane Harvey

NASA Astrophysics Data System (ADS)

Sebastian, A.; Juan, A.; Gori, A.; Maulsby, F.; Bedient, P. B.

2017-12-01

Between August 25 and 30, Hurricane Harvey dropped unprecedented rainfall over southeast Texas causing widespread flooding in the City of Houston. Water levels in the Addicks and Barker reservoirs, built in the 1940s to protect downtown Houston, exceeded previous records by approximately 2 meters. Concerns regarding structural integrity of the dams and damage to neighbourhoods in within the reservoir pool resulted in controlled releases into Buffalo Bayou, flooding an estimated 4,000 additional structures downstream of the dams. In 2016, during the Tax Day it became apparent that overflows from Cypress Creek in northern Harris County substantially contribute to water levels in Addicks. Prior to this event, little was known about the hydrodynamics of this overflow area or about the additional stress placed on Addicks and Barker reservoirs due to the volume of overflow. However, this information is critical for determining flood risk in Addicks Watershed, and ultimately Buffalo Bayou. In this study, we utilize the recently developed HEC-RAS 2D model the interbasin transfer that occurs between Cypress Creek Watershed and Addicks Reservoir to quantify the volume and rate at which water from Cypress enters the reservoir during extreme events. Ultimately, the results of this study will help inform the official hydrologic models used by HCFCD to determine reservoir operation during future storm events and better inform residents living in or above the reservoir pool about their potential flood risk.

Direct and comprehensive analysis of dyes based on integrated molecular and structural information via laser desorption laser postionization mass spectrometry.

PubMed

Liu, Rong; Yin, Zhibin; Leng, Yixin; Hang, Wei; Huang, Benli

2018-01-01

Laser desorption laser postionization time-of-flight mass spectrometry (LDPI-TOFMS) was employed for direct analysis and determination of typical basic dyes. It was also used for the analysis and comprehensive understanding of complex materials such as blue ballpoint pen inks. Simultaneous emergences of fragmental and molecular information largely simplify and facilitate unambiguous identification of dyes via variable energy of 266nm postionization laser. More specifically, by optimizing postionization laser energy with the same energy of desorption laser, the structurally significant results show definite differences in the fragmentation patterns, which offer opportunities for discrimination of isomeric species with identical molecular weight. Moreover, relatively high spectra resolution can be acquired without the expense of sensitivity. In contrast to laser desorption/ionization mass spectrometry (LDI-MS), LDPI-MS simultaneously offers valuable molecular information about dyes in traces, solvents and additives about inks, thereby offering direct determination and comprehensive understanding of blue ballpoint inks and giving a high level of confidence to discriminate the complicated evidentiary samples. In addition, direct analysis of the inks not only allows the avoidance of the tedious sample preparation processes, significantly shortening the overall analysis time and improving throughput, but allows minimized sample consumption which is important for rare and precious samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Database of non-canonical base pairs found in known RNA structures

NASA Technical Reports Server (NTRS)

Nagaswamy, U.; Voss, N.; Zhang, Z.; Fox, G. E.

2000-01-01

Atomic resolution RNA structures are being published at an increasing rate. It is common to find a modest number of non-canonical base pairs in these structures in addition to the usual Watson-Crick pairs. This database summarizes the occurrence of these rare base pairs in accordance with standard nomenclature. The database, http://prion.bchs.uh.edu/, contains information such as sequence context, sugar pucker conformation, anti / syn base conformations, chemical shift, p K (a)values, melting temperature and free energy. Of the 29 anticipated pairs with two or more hydrogen bonds, 20 have been encountered to date. In addition, four unexpected pairs with two hydrogen bonds have been reported bringing the total to 24. Single hydrogen bond versions of five of the expected geometries have been encountered among the single hydrogen bond interactions. In addition, 18 different types of base triplets have been encountered, each of which involves three to six hydrogen bonds. The vast majority of the rare base pairs are antiparallel with the bases in the anti configuration relative to the ribose. The most common are the GU wobble, the Sheared GA pair, the Reverse Hoogsteen pair and the GA imino pair.

Automated extraction of chemical structure information from digital raster images

PubMed Central

Park, Jungkap; Rosania, Gus R; Shedden, Kerby A; Nguyen, Mandee; Lyu, Naesung; Saitou, Kazuhiro

2009-01-01

Background To search for chemical structures in research articles, diagrams or text representing molecules need to be translated to a standard chemical file format compatible with cheminformatic search engines. Nevertheless, chemical information contained in research articles is often referenced as analog diagrams of chemical structures embedded in digital raster images. To automate analog-to-digital conversion of chemical structure diagrams in scientific research articles, several software systems have been developed. But their algorithmic performance and utility in cheminformatic research have not been investigated. Results This paper aims to provide critical reviews for these systems and also report our recent development of ChemReader – a fully automated tool for extracting chemical structure diagrams in research articles and converting them into standard, searchable chemical file formats. Basic algorithms for recognizing lines and letters representing bonds and atoms in chemical structure diagrams can be independently run in sequence from a graphical user interface-and the algorithm parameters can be readily changed-to facilitate additional development specifically tailored to a chemical database annotation scheme. Compared with existing software programs such as OSRA, Kekule, and CLiDE, our results indicate that ChemReader outperforms other software systems on several sets of sample images from diverse sources in terms of the rate of correct outputs and the accuracy on extracting molecular substructure patterns. Conclusion The availability of ChemReader as a cheminformatic tool for extracting chemical structure information from digital raster images allows research and development groups to enrich their chemical structure databases by annotating the entries with published research articles. Based on its stable performance and high accuracy, ChemReader may be sufficiently accurate for annotating the chemical database with links to scientific research articles. PMID:19196483

Social insect colony as a biological regulatory system: modelling information flow in dominance networks.

PubMed

Nandi, Anjan K; Sumana, Annagiri; Bhattacharya, Kunal

2014-12-06

Social insects provide an excellent platform to investigate flow of information in regulatory systems since their successful social organization is essentially achieved by effective information transfer through complex connectivity patterns among the colony members. Network representation of such behavioural interactions offers a powerful tool for structural as well as dynamical analysis of the underlying regulatory systems. In this paper, we focus on the dominance interaction networks in the tropical social wasp Ropalidia marginata-a species where behavioural observations indicate that such interactions are principally responsible for the transfer of information between individuals about their colony needs, resulting in a regulation of their own activities. Our research reveals that the dominance networks of R. marginata are structurally similar to a class of naturally evolved information processing networks, a fact confirmed also by the predominance of a specific substructure-the 'feed-forward loop'-a key functional component in many other information transfer networks. The dynamical analysis through Boolean modelling confirms that the networks are sufficiently stable under small fluctuations and yet capable of more efficient information transfer compared to their randomized counterparts. Our results suggest the involvement of a common structural design principle in different biological regulatory systems and a possible similarity with respect to the effect of selection on the organization levels of such systems. The findings are also consistent with the hypothesis that dominance behaviour has been shaped by natural selection to co-opt the information transfer process in such social insect species, in addition to its primal function of mediation of reproductive competition in the colony. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Incidental and context-responsive activation of structure- and function-based action features during object identification

PubMed Central

Lee, Chia-lin; Middleton, Erica; Mirman, Daniel; Kalénine, Solène; Buxbaum, Laurel J.

2012-01-01

Previous studies suggest that action representations are activated during object processing, even when task-irrelevant. In addition, there is evidence that lexical-semantic context may affect such activation during object processing. Finally, prior work from our laboratory and others indicates that function-based (“use”) and structure-based (“move”) action subtypes may differ in their activation characteristics. Most studies assessing such effects, however, have required manual object-relevant motor responses, thereby plausibly influencing the activation of action representations. The present work utilizes eyetracking and a Visual World Paradigm task without object-relevant actions to assess the time course of activation of action representations, as well as their responsiveness to lexical-semantic context. In two experiments, participants heard a target word and selected its referent from an array of four objects. Gaze fixations on non-target objects signal activation of features shared between targets and non-targets. The experiments assessed activation of structure-based (Experiment 1) or function-based (Experiment 2) distractors, using neutral sentences (“S/he saw the …”) or sentences with a relevant action verb (Experiment 1: “S/he picked up the……”; Experiment 2: “S/he used the….”). We observed task-irrelevant activations of action information in both experiments. In neutral contexts, structure-based activation was relatively faster-rising but more transient than function-based activation. Additionally, action verb contexts reliably modified patterns of activation in both Experiments. These data provide fine-grained information about the dynamics of activation of function-based and structure-based actions in neutral and action-relevant contexts, in support of the “Two Action System” model of object and action processing (e.g., Buxbaum & Kalénine, 2010). PMID:22390294

Statistics of high-level scene context.

PubMed

Greene, Michelle R

2013-01-01

CONTEXT IS CRITICAL FOR RECOGNIZING ENVIRONMENTS AND FOR SEARCHING FOR OBJECTS WITHIN THEM: contextual associations have been shown to modulate reaction time and object recognition accuracy, as well as influence the distribution of eye movements and patterns of brain activations. However, we have not yet systematically quantified the relationships between objects and their scene environments. Here I seek to fill this gap by providing descriptive statistics of object-scene relationships. A total of 48, 167 objects were hand-labeled in 3499 scenes using the LabelMe tool (Russell et al., 2008). From these data, I computed a variety of descriptive statistics at three different levels of analysis: the ensemble statistics that describe the density and spatial distribution of unnamed "things" in the scene; the bag of words level where scenes are described by the list of objects contained within them; and the structural level where the spatial distribution and relationships between the objects are measured. The utility of each level of description for scene categorization was assessed through the use of linear classifiers, and the plausibility of each level for modeling human scene categorization is discussed. Of the three levels, ensemble statistics were found to be the most informative (per feature), and also best explained human patterns of categorization errors. Although a bag of words classifier had similar performance to human observers, it had a markedly different pattern of errors. However, certain objects are more useful than others, and ceiling classification performance could be achieved using only the 64 most informative objects. As object location tends not to vary as a function of category, structural information provided little additional information. Additionally, these data provide valuable information on natural scene redundancy that can be exploited for machine vision, and can help the visual cognition community to design experiments guided by statistics rather than intuition.

Emerging Technologies for Real-Time Continuous Monitoring of Wellbore Integrity

NASA Astrophysics Data System (ADS)

Freifeld, B. M.

2017-12-01

Assessment of a well's integrity has traditionally been carried out through periodic wireline logging, often performed only when an operational problem was noted at the surface. There are several emerging technologies that can be installed permanently as part of the well completion and offer the ability to monitor operations while providing continuous indicators to evaluate the structural health of a well. Permanent behind casing instrumentation, such as pressure and temperature gauges can monitor for behind casing leakage. Similarly, fiber-optic distributed temperature and acoustic sensing provide additional information for assessing unwanted movement of fluid, which is indicative of problems either inside or outside of casing. Furthermore, these technologies offer the benefit of providing real-time continuous streams of information that serve as leading-indicators of wellbore problems to allow for early intervention. Additional research is still needed to develop best practices for the installation and operation of these technologies, as they increase cost and add additional risks that must be managed.

Learning Additional Languages as Hierarchical Probabilistic Inference: Insights From First Language Processing.

PubMed

Pajak, Bozena; Fine, Alex B; Kleinschmidt, Dave F; Jaeger, T Florian

2016-12-01

We present a framework of second and additional language (L2/L n ) acquisition motivated by recent work on socio-indexical knowledge in first language (L1) processing. The distribution of linguistic categories covaries with socio-indexical variables (e.g., talker identity, gender, dialects). We summarize evidence that implicit probabilistic knowledge of this covariance is critical to L1 processing, and propose that L2/L n learning uses the same type of socio-indexical information to probabilistically infer latent hierarchical structure over previously learned and new languages. This structure guides the acquisition of new languages based on their inferred place within that hierarchy, and is itself continuously revised based on new input from any language. This proposal unifies L1 processing and L2/L n acquisition as probabilistic inference under uncertainty over socio-indexical structure. It also offers a new perspective on crosslinguistic influences during L2/L n learning, accommodating gradient and continued transfer (both negative and positive) from previously learned to novel languages, and vice versa.

Learning Additional Languages as Hierarchical Probabilistic Inference: Insights From First Language Processing

PubMed Central

Pajak, Bozena; Fine, Alex B.; Kleinschmidt, Dave F.; Jaeger, T. Florian

2015-01-01

We present a framework of second and additional language (L2/Ln) acquisition motivated by recent work on socio-indexical knowledge in first language (L1) processing. The distribution of linguistic categories covaries with socio-indexical variables (e.g., talker identity, gender, dialects). We summarize evidence that implicit probabilistic knowledge of this covariance is critical to L1 processing, and propose that L2/Ln learning uses the same type of socio-indexical information to probabilistically infer latent hierarchical structure over previously learned and new languages. This structure guides the acquisition of new languages based on their inferred place within that hierarchy, and is itself continuously revised based on new input from any language. This proposal unifies L1 processing and L2/Ln acquisition as probabilistic inference under uncertainty over socio-indexical structure. It also offers a new perspective on crosslinguistic influences during L2/Ln learning, accommodating gradient and continued transfer (both negative and positive) from previously learned to novel languages, and vice versa. PMID:28348442

HCMM imagery for the discrimination of rock types, the detection of geothermal energy sources and the assessment of soil moisture content in western Queensland and adjacent parts of New South Wales and South Australia

NASA Technical Reports Server (NTRS)

Cole, M. M. (Principal Investigator)

1980-01-01

The author has identified the following significant results. Day-visible and day-IR imagery of northwest Queensland show that large scale geological features like the Mitakoodi anticlinorium, which involves rocks of contrasting lithological type, can be delineated. North of Cloncurry, the contrasting lithological units of the Knapdale quartzite and bedded argillaceous limestones within the Proterozoic Corella sequence are clearly delineated in the area of the Dugald River Lode. Major structural features in the Mount Isa area are revealed on the day-visible cover. Which provides similar but less detailed information than the LANDSAT imagery. The day-IR cover provides less additional information for areas of outcropping bedrock than had been expected. Initial studies of the day-IR and night-IR cover for parts of South Australia suggest that they contain additional information on geology compared with day-visible cover.

Investigating the determinants of Chinese adult children's intention to use online health information for their aged parents.

PubMed

Bao, Yukun; Hoque, Rakibul; Wang, Shiyu

2017-06-01

The increasing number of older people and the dissemination of health information via the Internet have emerged and both are challenging to Chinese society. Available online health information highlights the importance of decision making processes, specially in relation to the elderly who almost have no online presence and depend on their adult children's help. The researchers mostly focus on parents' health information search for their children, however, they overlook the adult children's intention to use online health information for their aged parents. This study fills this gap by extending the Theory of Planned Behavior (TPB) to identify the determinants of adult children's intention to use online health information for their aged parents. Relying on survey method, the data were collected from teachers and students at different participating Universities in Wuhan, China. The Partial Least Squares (PLS), a structural equation modeling technique, was employed to test the research model. This study found that attitude, subjective norm, perceived behavioral control and risk (p<0.05) were the predictors of intention to use online health information, whereas, trust (p>0.05) was not listed among the predictors. This study is a significant addition to the literature, in that it confirms the utility of the TPB with additional variables in predicting adults' children intention to use online health information for their aged parents. Copyright © 2017 Elsevier B.V. All rights reserved.

Database for the geologic map of the Mount Baker 30- by 60-minute quadrangle, Washington (I-2660)

USGS Publications Warehouse

Tabor, R.W.; Haugerud, R.A.; Hildreth, Wes; Brown, E.H.

2006-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Mount Baker 30- by 60-Minute Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the geology at 1:100,000. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Database for the geologic map of the Chelan 30-minute by 60-minute quadrangle, Washington (I-1661)

USGS Publications Warehouse

Tabor, R.W.; Frizzell, V.A.; Whetten, J.T.; Waitt, R.B.; Swanson, D.A.; Byerly, G.R.; Booth, D.B.; Hetherington, M.J.; Zartman, R.E.

2006-01-01

This digital map database has been prepared by R. W. Tabor from the published Geologic map of the Chelan 30-Minute Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Database for the geologic map of the Snoqualmie Pass 30-minute by 60-minute quadrangle, Washington (I-2538)

USGS Publications Warehouse

Tabor, R.W.; Frizzell, V.A.; Booth, D.B.; Waitt, R.B.

2006-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Snoqualmie Pass 30' X 60' Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Geologic Map of the Wenatchee 1:100,000 Quadrangle, Central Washington: A Digital Database

USGS Publications Warehouse

Tabor, R.W.; Waitt, R.B.; Frizzell, V.A.; Swanson, D.A.; Byerly, G.R.; Bentley, R.D.

2005-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Wenatchee 1:100,000 Quadrangle, Central Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Feature Selection Using Information Gain for Improved Structural-Based Alert Correlation

PubMed Central

Siraj, Maheyzah Md; Zainal, Anazida; Elshoush, Huwaida Tagelsir; Elhaj, Fatin

2016-01-01

Grouping and clustering alerts for intrusion detection based on the similarity of features is referred to as structurally base alert correlation and can discover a list of attack steps. Previous researchers selected different features and data sources manually based on their knowledge and experience, which lead to the less accurate identification of attack steps and inconsistent performance of clustering accuracy. Furthermore, the existing alert correlation systems deal with a huge amount of data that contains null values, incomplete information, and irrelevant features causing the analysis of the alerts to be tedious, time-consuming and error-prone. Therefore, this paper focuses on selecting accurate and significant features of alerts that are appropriate to represent the attack steps, thus, enhancing the structural-based alert correlation model. A two-tier feature selection method is proposed to obtain the significant features. The first tier aims at ranking the subset of features based on high information gain entropy in decreasing order. The‏ second tier extends additional features with a better discriminative ability than the initially ranked features. Performance analysis results show the significance of the selected features in terms of the clustering accuracy using 2000 DARPA intrusion detection scenario-specific dataset. PMID:27893821

CLICK: The new USGS center for LIDAR information coordination and knowledge

USGS Publications Warehouse

Stoker, Jason M.; Greenlee, Susan K.; Gesch, Dean B.; Menig, Jordan C.

2006-01-01

Elevation data is rapidly becoming an important tool for the visualization and analysis of geographic information. The creation and display of three-dimensional models representing bare earth, vegetation, and structures have become major requirements for geographic research in the past few years. Light Detection and Ranging (lidar) has been increasingly accepted as an effective and accurate technology for acquiring high-resolution elevation data for bare earth, vegetation, and structures. Lidar is an active remote sensing system that records the distance, or range, of a laser fi red from an airborne or space borne platform such as an airplane, helicopter or satellite to objects or features on the Earth’s surface. By converting lidar data into bare ground topography and vegetation or structural morphologic information, extremely accurate, high-resolution elevation models can be derived to visualize and quantitatively represent scenes in three dimensions. In addition to high-resolution digital elevation models (Evans et al., 2001), other lidar-derived products include quantitative estimates of vegetative features such as canopy height, canopy closure, and biomass (Lefsky et al., 2002), and models of urban areas such as building footprints and three-dimensional city models (Maas, 2001).

A diagnostic expert system for structured reports, quality assessment, and training of residents in sonography.

PubMed

Huettig, Matthias; Buscher, Georg; Menzel, Thomas; Scheppach, Wolfgang; Puppe, Frank; Buscher, Hans-Peter

2004-03-15

The quality of medical reports on diagnostic procedures has a considerable impact on the quality of medical care. Handwritten or otherwise unstructured reports tend to be incomplete, whereas structured questionnaires are of limited flexibility and not considered case-adequate. Thus, medical reports of this kind may promote an incomplete and misleading documentation and, therefore, be problematic with respect to their reliability. SonoConsult (SC), an expert system for structured and case-adequate documentation of sonographic findings with an additional diagnostic component, was evaluated with respect to user acceptance and suitability for enhancing the quality of reports and supporting sonographic beginners. The expectations and the attitudes of the users toward the program were evaluated by anonymous questionnaires. The documentation of findings and the diagnostic conclusions in 103 free text reports made by experienced examiners were evaluated by subjecting their information to a subsequent input into SC. Free text reports were checked for information that was asked by SC but not mentioned in the reports. In a series of 150 cases, the system diagnoses were blinded during input of findings into SC-questionnaires and the examiners' diagnostic conclusions were compared with the uncovered SC-diagnoses with respect to forgotten diagnoses. The structured and data-driven acquisition of information by the program was well accepted by the users. However, only a medium interest in the system-delivered diagnoses was noted. The program-generated reports were characterized by a more detailed description of the findings and a higher number of diagnoses in comparison to the unstructured reports before introduction of SC as the only documentation system. When unaware of the system diagnoses, information was entered into the questionnaires, and SC generated some diagnoses which were not mentioned by the examiners in their conclusions. The possibility to inspect the system diagnoses led to an enhancement of the number of diagnoses the examiners mentioned in their conclusions. By contrast, the examiners meant that the influence of the program on their conclusions was minimal or dispensable. Beginners in sonography acknowledged that the program led them to perform a complete examination in an adequate sequence. An expert system for the data-driven, case-adequate information acquisition of abdominal ultrasound examinations may enhance the quality of the reports and, potentially, of the examinations at the same time. In addition, it may help beginners to learn a structured problem- and finding-adequate examination sequence.

Nuclear data and related services

NASA Astrophysics Data System (ADS)

Tuli, J. K.

1985-10-01

National Nuclear Data Center (NNDC) maintains a number of data bases containing bibliographic information and evaluated as well as experimental nuclear properties. An evaluated computer file maintained by the NNDC, called the Evaluated Nuclear Structure Data File (ENSDF), contains nuclear structure information for all known nuclides. The ENSDF is the source for the journal Nuclear Data Sheets which is produced and edited by NNDC. The Evaluated Nuclear Data File (ENDF), on the other hand is designed for storage and retrieval of such evaluated nuclear data as are used in neutronic, photonic, and decay heat calculations in a large variety of applications. Some of the publications from these data bases are the Nuclear Wallet Cards, Radioactivity Handbook, and books on neutron cross sections and resonance parameters. In addition, the NNDC maintains three bibliographic files: NSR - for nuclear structure and decay data related references, CINDA - a bibliographic file for neutron induced reactions, and CPBIB for charged particle reactions. Selected retrievals from evaluated data and bibliographic files are possible on-line or on request from NNDC.

APPRIS: annotation of principal and alternative splice isoforms

PubMed Central

Rodriguez, Jose Manuel; Maietta, Paolo; Ezkurdia, Iakes; Pietrelli, Alessandro; Wesselink, Jan-Jaap; Lopez, Gonzalo; Valencia, Alfonso; Tress, Michael L.

2013-01-01

Here, we present APPRIS (http://appris.bioinfo.cnio.es), a database that houses annotations of human splice isoforms. APPRIS has been designed to provide value to manual annotations of the human genome by adding reliable protein structural and functional data and information from cross-species conservation. The visual representation of the annotations provided by APPRIS for each gene allows annotators and researchers alike to easily identify functional changes brought about by splicing events. In addition to collecting, integrating and analyzing reliable predictions of the effect of splicing events, APPRIS also selects a single reference sequence for each gene, here termed the principal isoform, based on the annotations of structure, function and conservation for each transcript. APPRIS identifies a principal isoform for 85% of the protein-coding genes in the GENCODE 7 release for ENSEMBL. Analysis of the APPRIS data shows that at least 70% of the alternative (non-principal) variants would lose important functional or structural information relative to the principal isoform. PMID:23161672

Isomer Information from Ion Mobility Separation of High-Mannose Glycan Fragments.

PubMed

Harvey, David J; Seabright, Gemma E; Vasiljevic, Snezana; Crispin, Max; Struwe, Weston B

2018-05-01

Extracted arrival time distributions of negative ion CID-derived fragments produced prior to traveling-wave ion mobility separation were evaluated for their ability to provide structural information on N-linked glycans. Fragmentation of high-mannose glycans released from several glycoproteins, including those from viral sources, provided over 50 fragments, many of which gave unique collisional cross-sections and provided additional information used to assign structural isomers. For example, cross-ring fragments arising from cleavage of the reducing terminal GlcNAc residue on Man 8 GlcNAc 2 isomers have unique collision cross-sections enabling isomers to be differentiated in mixtures. Specific fragment collision cross-sections enabled identification of glycans, the antennae of which terminated in the antigenic α-galactose residue, and ions defining the composition of the 6-antenna of several of the glycans were also found to have different cross-sections from isomeric ions produced in the same spectra. Potential mechanisms for the formation of the various ions are discussed and the estimated collisional cross-sections are tabulated. Graphical Abstract ᅟ.

Topological Landscapes: A Terrain Metaphor for ScientificData

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

Weber, Gunther H.; Bremer, Peer-Timo; Pascucci, Valerio

2007-08-01

Scientific visualization and illustration tools are designed to help people understand the structure and complexity of scientific data with images that are as informative and intuitive as possible. In this context, the use of metaphors plays an important role, since they make complex information easily accessible by using commonly known concepts. In this paper we propose a new metaphor, called 'Topological Landscapes', which facilitates understanding the topological structure of scalar functions. The basic idea is to construct a terrain with the same topology as a given dataset and to display the terrain as an easily understood representation of the actualmore » input data. In this projection from an n-dimensional scalar function to a two-dimensional (2D) model we preserve function values of critical points, the persistence (function span) of topological features, and one possible additional metric property (in our examples volume). By displaying this topologically equivalent landscape together with the original data we harness the natural human proficiency in understanding terrain topography and make complex topological information easily accessible.« less

The design and implementation of the immune epitope database and analysis resource

PubMed Central

Peters, Bjoern; Sidney, John; Bourne, Phil; Bui, Huynh-Hoa; Buus, Soeren; Doh, Grace; Fleri, Ward; Kronenberg, Mitch; Kubo, Ralph; Lund, Ole; Nemazee, David; Ponomarenko, Julia V.; Sathiamurthy, Muthu; Schoenberger, Stephen P.; Stewart, Scott; Surko, Pamela; Way, Scott; Wilson, Steve; Sette, Alessandro

2016-01-01

Epitopes are defined as parts of antigens interacting with receptors of the immune system. Knowledge about their intrinsic structure and how they affect the immune response is required to continue development of techniques that detect, monitor, and fight diseases. Their scientific importance is reflected in the vast amount of epitope-related information gathered, ranging from interactions between epitopes and major histocompatibility complex molecules determined by X-ray crystallography to clinical studies analyzing correlates of protection for epitope based vaccines. Our goal is to provide a central resource capable of capturing this information, allowing users to access and connect realms of knowledge that are currently separated and difficult to access. Here, we portray a new initiative, “The Immune Epitope Database and Analysis Resource.” We describe how we plan to capture, structure, and store this information, what query interfaces we will make available to the public, and what additional predictive and analytical tools we will provide. PMID:15895191

The Development of a Korean Drug Dosing Database

PubMed Central

Kim, Sun Ah; Kim, Jung Hoon; Jang, Yoo Jin; Jeon, Man Ho; Hwang, Joong Un; Jeong, Young Mi; Choi, Kyung Suk; Lee, Iyn Hyang; Jeon, Jin Ok; Lee, Eun Sook; Lee, Eun Kyung; Kim, Hong Bin; Chin, Ho Jun; Ha, Ji Hye; Kim, Young Hoon

2011-01-01

Objectives This report describes the development process of a drug dosing database for ethical drugs approved by the Korea Food & Drug Administration (KFDA). The goal of this study was to develop a computerized system that supports physicians' prescribing decisions, particularly in regards to medication dosing. Methods The advisory committee, comprised of doctors, pharmacists, and nurses from the Seoul National University Bundang Hospital, pharmacists familiar with drug databases, KFDA officials, and software developers from the BIT Computer Co. Ltd. analyzed approved KFDA drug dosing information, defined the fields and properties of the information structure, and designed a management program used to enter dosing information. The management program was developed using a web based system that allows multiple researchers to input drug dosing information in an organized manner. The whole process was improved by adding additional input fields and eliminating the unnecessary existing fields used when the dosing information was entered, resulting in an improved field structure. Results A total of 16,994 drugs sold in the Korean market in July 2009, excluding the exclusion criteria (e.g., radioactivity drugs, X-ray contrast medium), usage and dosing information were made into a database. Conclusions The drug dosing database was successfully developed and the dosing information for new drugs can be continually maintained through the management mode. This database will be used to develop the drug utilization review standards and to provide appropriate dosing information. PMID:22259729

GAP Final Technical Report 12-14-04

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

Andrew J. Bordner, PhD, Senior Research Scientist

2004-12-14

The Genomics Annotation Platform (GAP) was designed to develop new tools for high throughput functional annotation and characterization of protein sequences and structures resulting from genomics and structural proteomics, benchmarking and application of those tools. Furthermore, this platform integrated the genomic scale sequence and structural analysis and prediction tools with the advanced structure prediction and bioinformatics environment of ICM. The development of GAP was primarily oriented towards the annotation of new biomolecular structures using both structural and sequence data. Even though the amount of protein X-ray crystal data is growing exponentially, the volume of sequence data is growing even moremore » rapidly. This trend was exploited by leveraging the wealth of sequence data to provide functional annotation for protein structures. The additional information provided by GAP is expected to assist the majority of the commercial users of ICM, who are involved in drug discovery, in identifying promising drug targets as well in devising strategies for the rational design of therapeutics directed at the protein of interest. The GAP also provided valuable tools for biochemistry education, and structural genomics centers. In addition, GAP incorporates many novel prediction and analysis methods not available in other molecular modeling packages. This development led to signing the first Molsoft agreement in the structural genomics annotation area with the University of oxford Structural Genomics Center. This commercial agreement validated the Molsoft efforts under the GAP project and provided the basis for further development of the large scale functional annotation platform.« less

Impact of Health Information Exchange on Emergency Medicine Clinical Decision Making.

PubMed

Gordon, Bradley D; Bernard, Kyle; Salzman, Josh; Whitebird, Robin R

2015-12-01

The objective of the study was to understand the immediate utility of health information exchange (HIE) on emergency department (ED) providers by interviewing them shortly after the information was retrieved. Prior studies of physician perceptions regarding HIE have only been performed outside of the care environment. Trained research assistants interviewed resident physicians, physician assistants and attending physicians using a semi-structured questionnaire within two hours of making a HIE request. The responses were recorded, then transcribed for qualitative analysis. The transcribed interviews were analyzed for emerging qualitative themes. We analyzed 40 interviews obtained from 29 providers. Primary qualitative themes discovered included the following: drivers for requests for outside information; the importance of unexpected information; historical lab values as reference points; providing context when determining whether to admit or discharge a patient; the importance of information in refining disposition; improved confidence of provider; and changes in decisions for diagnostic imaging. ED providers are driven to use HIE when they're missing a known piece of information. This study finds two additional impacts not previously reported. First, providers sometimes find additional unanticipated useful information, supporting a workflow that lowers the threshold to request external information. Second, providers sometimes report utility when no changes to their existing plan are made as their confidence is increased based on external records. Our findings are concordant with previous studies in finding exchanged information is useful to provide context for interpreting lab results, making admission decisions, and prevents repeat diagnostic imaging.

Understanding the nature of information seeking behavior in critical care: implications for the design of health information technology.

PubMed

Kannampallil, Thomas G; Franklin, Amy; Mishra, Rashmi; Almoosa, Khalid F; Cohen, Trevor; Patel, Vimla L

2013-01-01

Information in critical care environments is distributed across multiple sources, such as paper charts, electronic records, and support personnel. For decision-making tasks, physicians have to seek, gather, filter and organize information from various sources in a timely manner. The objective of this research is to characterize the nature of physicians' information seeking process, and the content and structure of clinical information retrieved during this process. Eight medical intensive care unit physicians provided a verbal think-aloud as they performed a clinical diagnosis task. Verbal descriptions of physicians' activities, sources of information they used, time spent on each information source, and interactions with other clinicians were captured for analysis. The data were analyzed using qualitative and quantitative approaches. We found that the information seeking process was exploratory and iterative and driven by the contextual organization of information. While there was no significant differences between the overall time spent paper or electronic records, there was marginally greater relative information gain (i.e., more unique information retrieved per unit time) from electronic records (t(6)=1.89, p=0.1). Additionally, information retrieved from electronic records was at a higher level (i.e., observations and findings) in the knowledge structure than paper records, reflecting differences in the nature of knowledge utilization across resources. A process of local optimization drove the information seeking process: physicians utilized information that maximized their information gain even though it required significantly more cognitive effort. Implications for the design of health information technology solutions that seamlessly integrate information seeking activities within the workflow, such as enriching the clinical information space and supporting efficient clinical reasoning and decision-making, are discussed. Copyright © 2012 Elsevier B.V. All rights reserved.

Computational modeling of RNA 3D structures, with the aid of experimental restraints

PubMed Central

Magnus, Marcin; Matelska, Dorota; Łach, Grzegorz; Chojnowski, Grzegorz; Boniecki, Michal J; Purta, Elzbieta; Dawson, Wayne; Dunin-Horkawicz, Stanislaw; Bujnicki, Janusz M

2014-01-01

In addition to mRNAs whose primary function is transmission of genetic information from DNA to proteins, numerous other classes of RNA molecules exist, which are involved in a variety of functions, such as catalyzing biochemical reactions or performing regulatory roles. In analogy to proteins, the function of RNAs depends on their structure and dynamics, which are largely determined by the ribonucleotide sequence. Experimental determination of high-resolution RNA structures is both laborious and difficult, and therefore, the majority of known RNAs remain structurally uncharacterized. To address this problem, computational structure prediction methods were developed that simulate either the physical process of RNA structure formation (“Greek science” approach) or utilize information derived from known structures of other RNA molecules (“Babylonian science” approach). All computational methods suffer from various limitations that make them generally unreliable for structure prediction of long RNA sequences. However, in many cases, the limitations of computational and experimental methods can be overcome by combining these two complementary approaches with each other. In this work, we review computational approaches for RNA structure prediction, with emphasis on implementations (particular programs) that can utilize restraints derived from experimental analyses. We also list experimental approaches, whose results can be relatively easily used by computational methods. Finally, we describe case studies where computational and experimental analyses were successfully combined to determine RNA structures that would remain out of reach for each of these approaches applied separately. PMID:24785264

Overcoming the fragility - X-ray computed micro-tomography elucidates brachiopod endoskeletons.

PubMed

Seidel, Ronald; Lüter, Carsten

2014-01-01

The calcareous shells of brachiopods offer a wealth of informative characters for taxonomic and phylogenetic investigations. In particular scanning electron microscopy (SEM) has been used for decades to visualise internal structures of the shell. However, to produce informative SEM data, brachiopod shells need to be opened after chemical removal of the soft tissue. This preparation occasionally damages the shell. Additionally, skeletal elements of taxonomic/systematic interest such as calcareous spicules which are loosely embedded in the lophophore and mantle connective tissue become disintegrated during the preparation process. Using a nondestructive micro-computed tomography (μCT) approach, the entire fragile endoskeleton of brachiopods is documented for the first time. New insights on the structure and position of tissue-bound skeletal elements (spicules) are given as add ons to existing descriptions of brachiopod shell anatomy, thereby enhancing the quality and quantity of informative characters needed for both taxonomic and phylogenetic studies. Here, we present five modern, articulated brachiopods (Rectocalathis schemmgregoryi n. gen., n. sp., Eucalathis sp., Gryphus vitreus, Liothyrella neozelanica and Terebratulina retusa) that were X-rayed using a Phoenix Nanotom XS 180 NF. We provide links to download 3D models of these species, and additional five species with spicules can be accessed in the Supplemental Material. In total, 17 brachiopod genera covering all modern articulated subgroups and 2 inarticulated genera were X-rayed for morphological analysis. Rectocalathis schemmgregoryi n. gen., n. sp. is fully described. Micro-CT is an excellent non-destructive tool for investigating calcified structures in the exo- and endoskeletons of brachiopods. With high quality images and interactive 3D models, this study provides a comprehensive description of the profound differences in shell anatomy, facilitates the detection of new delicate morphological characters of the endoskeleton and gives new insights into the body plan of modern brachiopods.

An FT-raman study of softwood, hardwood, and chemically modified black spruce MWLS

Treesearch

Umesh P. Agarwal; James D. McSweeny; Sally A. Ralph

1999-01-01

Raman spectroscopy is being increasingly used to carry out in situ analysis of wood and other lignocellulosics. To obtain useful information from the spectra, the vibrational bands need to be assigned in terms of contributions from various chemical components and component sub-structures. In additional, so that the technique can be better applied as an analytical...

Using landsat time-series and lidar to inform aboveground carbon baseline estimation in Minnesota

Treesearch

Ram K. Deo; Grant M. Domke; Matthew B. Russell; Christopher W. Woodall; Michael J. Falkowski

2015-01-01

Landsat data has long been used to support forest monitoring and management decisions despite the limited success of passive optical remote sensing for accurate estimation of structural attributes such as aboveground biomass. The archive of publicly available Landsat images dating back to the 1970s can be used to predict historic forest biomass dynamics. In addition,...

Determining Synthetic Routes to Consumer Product Ingredients through the Use of Electronic Resources

ERIC Educational Resources Information Center

Love, Brian E.; Bennett, Lisa J.

2016-01-01

An activity is described in which students in the first semester of a two semester organic chemistry laboratory class are introduced to the use of SciFinder. Students are required to determine the structures of three compounds as well as additional information regarding the synthesis of one of them using some of the features available in SciFinder.

A Comprehensive Study of Pristine, Fine-grained, Spinel-rich Inclusions from the Leoville and Efremovka CV3 Chondrites. 1; Petrology

NASA Technical Reports Server (NTRS)

MacPherson, G. J.; Krot, A. N.; Ulyanov, A. A.; Hicks, T.

2002-01-01

Fine-grained spinel-rich CAI from Efremovka and Leoville lack the overprint of Na and Fe metasomatism seen in Allende. They contain spinel, pyroxene, anorthite, and melilite; most have a zoned structure with spinel-rich cores, melilite-rich mantles. Additional information is contained in the original extended abstract.

The Hidden Lives of Galaxies: An Information & Activity Booklet, Grades 9-12, 2000-2001. Imagine the Universe! Probing the Structure & Evolution of the Cosmos.

ERIC Educational Resources Information Center

Lochner, James C.; Williamson, Lisa; Fitzhugh, Ethel

This National Aeronautics and Space Administration (NASA) document presents activities on the properties of galaxies for additional curriculum support. The activities presented in this document include: (1) "How Big Is the Universe"; (2) "Identifying Galaxies"; (3) "Classifying Galaxies Using Hubble's Fork Diagram"; (4) "Identifying Unusual…

"Fahrenheit 9-11," Need for Closure and the Priming of Affective Ambivalence: An Assessment of Intra-Affective Structures by Party Identification

ERIC Educational Resources Information Center

Holbert, R. Lance; Hansen, Glenn J.

2006-01-01

This study extends priming research in political communication by focusing on an alternative political information source (i.e., Michael Moore's Fahrenheit 9-11), affect rather than cognitions, and the existence of intra-affective ambivalence. In addition, two moderator variables are analyzed: political party identification and need for closure.…

Imaging of DNA and Protein by SFM and Combined SFM-TIRF Microscopy.

PubMed

Grosbart, Małgorzata; Ristić, Dejan; Sánchez, Humberto; Wyman, Claire

2018-01-01

Direct imaging is invaluable for understanding the mechanism of complex genome transactions where proteins work together to organize, transcribe, replicate and repair DNA. Scanning (or atomic) force microscopy is an ideal tool for this, providing 3D information on molecular structure at nm resolution from defined components. This is a convenient and practical addition to in vitro studies as readily obtainable amounts of purified proteins and DNA are required. The images reveal structural details on the size and location of DNA bound proteins as well as protein-induced arrangement of the DNA, which are directly correlated in the same complexes. In addition, even from static images, the different forms observed and their relative distributions can be used to deduce the variety and stability of different complexes that are necessarily involved in dynamic processes. Recently available instruments that combine fluorescence with topographic imaging allow the identification of specific molecular components in complex assemblies, which broadens the applications and increases the information obtained from direct imaging of molecular complexes. We describe here basic methods for preparing samples of proteins, DNA and complexes of the two for topographic imaging and quantitative analysis. We also describe special considerations for combined fluorescence and topographic imaging of molecular complexes.

Sample preparation for SFM imaging of DNA, proteins, and DNA-protein complexes.

PubMed

Ristic, Dejan; Sanchez, Humberto; Wyman, Claire

2011-01-01

Direct imaging is invaluable for understanding the mechanism of complex genome transactions where proteins work together to organize, transcribe, replicate, and repair DNA. Scanning (or atomic) force microscopy is an ideal tool for this, providing 3D information on molecular structure at nanometer resolution from defined components. This is a convenient and practical addition to in vitro studies as readily obtainable amounts of purified proteins and DNA are required. The images reveal structural details on the size and location of DNA-bound proteins as well as protein-induced arrangement of the DNA, which are directly correlated in the same complexes. In addition, even from static images, the different forms observed and their relative distributions can be used to deduce the variety and stability of different complexes that are necessarily involved in dynamic processes. Recently available instruments that combine fluorescence with topographic imaging allow the identification of specific molecular components in complex assemblies, which broadens the applications and increases the information obtained from direct imaging of molecular complexes. We describe here basic methods for preparing samples of proteins, DNA, and complexes of the two for topographic imaging and quantitative analysis. We also describe special considerations for combined fluorescence and topographic imaging of molecular complexes.

MD simulation of the Tat/Cyclin T1/CDK9 complex revealing the hidden catalytic cavity within the CDK9 molecule upon Tat binding.

PubMed

Asamitsu, Kaori; Hirokawa, Takatsugu; Okamoto, Takashi

2017-01-01

In this study, we applied molecular dynamics (MD) simulation to analyze the dynamic behavior of the Tat/CycT1/CDK9 tri-molecular complex and revealed the structural changes of P-TEFb upon Tat binding. We found that Tat could deliberately change the local flexibility of CycT1. Although the structural coordinates of the H1 and H2 helices did not substantially change, H1', H2', and H3' exhibited significant changes en masse. Consequently, the CycT1 residues involved in Tat binding, namely Tat-recognition residues (TRRs), lost their flexibility with the addition of Tat to P-TEFb. In addition, we clarified the structural variation of CDK9 in complex with CycT1 in the presence or absence of Tat. Interestingly, Tat addition significantly reduced the structural variability of the T-loop, thus consolidating the structural integrity of P-TEFb. Finally, we deciphered the formation of the hidden catalytic cavity of CDK9 upon Tat binding. MD simulation revealed that the PITALRE signature sequence of CDK9 flips the inactive kinase cavity of CDK9 into the active form by connecting with Thr186, which is crucial for its activity, thus presumably recruiting the substrate peptide such as the C-terminal domain of RNA pol II. These findings provide vital information for the development of effective novel anti-HIV drugs with CDK9 catalytic activity as the target.

A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests† †Electronic supplementary information (ESI) available: Synthesis of macrocycle 3 together with characterization data. TGA and DSC traces. CIF files of all structures. Computational details and additional calculations. CCDC 1012389–1012397 and 1063714. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01838b Click here for additional data file. Click here for additional data file.

PubMed Central

Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen

2015-01-01

A crystalline porous material showing one-dimensional (1-D) rectangular micropores (12 × 9 Å2) has been assembled from a semirigid macrocyclic tetraimine and EtOAc as the templating agent. The 1-D nature of the material is intrinsic to the conformationally rigid structure of a macrocyclic sub-unit bearing four cyclohexylidene residues. The multiple dispersive forces established among the aliphatic residues glutted the 1-D channels and provided thermal stability to the material at temperatures below 160 °C. Upon removal of the template, the structure of the empty solid exhibited permanent microporosity (S BET = 342 m2 g–1). Being a true molecular sponge, the channel framework of this material allowed the inclusion of a variety of molecular sample guests without compromising its crystalline nature. Remarkably, this crystalline material enabled the structure determination by X-ray diffraction of the included molecules. Theoretical studies demonstrated the vital role played by the dispersive forces in the overall stabilization of the crystal packing. PMID:28757946

Quality assessment of structure and language elements of written responses given by seven Scandinavian drug information centres.

PubMed

Reppe, Linda Amundstuen; Spigset, Olav; Kampmann, Jens Peter; Damkier, Per; Christensen, Hanne Rolighed; Böttiger, Ylva; Schjøtt, Jan

2017-05-01

The aim of this study was to identify structure and language elements affecting the quality of responses from Scandinavian drug information centres (DICs). Six different fictitious drug-related queries were sent to each of seven Scandinavian DICs. The centres were blinded for which queries were part of the study. The responses were assessed qualitatively by six clinical pharmacologists (internal experts) and six general practitioners (GPs, external experts). In addition, linguistic aspects of the responses were evaluated by a plain language expert. The quality of responses was generally judged as satisfactory to good. Presenting specific advice and conclusions were considered to improve the quality of the responses. However, small nuances in language formulations could affect the individual judgments of the experts, e.g. on whether or not advice was given. Some experts preferred the use of primary sources to the use of secondary and tertiary sources. Both internal and external experts criticised the use of abbreviations, professional terminology and study findings that was left unexplained. The plain language expert emphasised the importance of defining and explaining pharmacological terms to ensure that enquirers understand the response as intended. In addition, more use of active voice and less compressed text structure would be desirable. This evaluation of responses to DIC queries may give some indications on how to improve written responses on drug-related queries with respect to language and text structure. Giving specific advice and precise conclusions and avoiding too compressed language and non-standard abbreviations may aid to reach this goal.

Rayleigh Wave Ellipticity Modeling and Inversion for Shallow Structure at the Proposed InSight Landing Site in Elysium Planitia, Mars

NASA Astrophysics Data System (ADS)

Knapmeyer-Endrun, Brigitte; Golombek, Matthew P.; Ohrnberger, Matthias

2017-10-01

The SEIS (Seismic Experiment for Interior Structure) instrument onboard the InSight mission will be the first seismometer directly deployed on the surface of Mars. From studies on the Earth and the Moon, it is well known that site amplification in low-velocity sediments on top of more competent rocks has a strong influence on seismic signals, but can also be used to constrain the subsurface structure. Here we simulate ambient vibration wavefields in a model of the shallow sub-surface at the InSight landing site in Elysium Planitia and demonstrate how the high-frequency Rayleigh wave ellipticity can be extracted from these data and inverted for shallow structure. We find that, depending on model parameters, higher mode ellipticity information can be extracted from single-station data, which significantly reduces uncertainties in inversion. Though the data are most sensitive to properties of the upper-most layer and show a strong trade-off between layer depth and velocity, it is possible to estimate the velocity and thickness of the sub-regolith layer by using reasonable constraints on regolith properties. Model parameters are best constrained if either higher mode data can be used or additional constraints on regolith properties from seismic analysis of the hammer strokes of InSight's heat flow probe HP3 are available. In addition, the Rayleigh wave ellipticity can distinguish between models with a constant regolith velocity and models with a velocity increase in the regolith, information which is difficult to obtain otherwise.

The structure and function of the dopamine transporter and its role in CNS diseases.

PubMed

McHugh, Patrick C; Buckley, David A

2015-01-01

In this chapter, we explore the basic science of the dopamine transporter (DAT), an integral component of a system that regulates dopamine homeostasis. Dopamine is a key neurotransmitter for several brain functions including locomotor control and reward systems. The transporter structure, function, mechanism of action, localization, and distribution, in addition to gene regulation, are discussed. Over many years, a wealth of information concerning the DAT has been accrued and has led to increased interest in the role of the DAT in a plethora of central nervous system diseases. These DAT characteristics are explored in relation to a range of neurological and neuropsychiatric diseases, with a particular focus on the genetics of the DAT. In addition, we discuss the pharmacology of the DAT and how this relates to disease and addiction. © 2015 Elsevier Inc. All rights reserved.

Entangled singularity patterns of photons in Ince-Gauss modes

NASA Astrophysics Data System (ADS)

Krenn, Mario; Fickler, Robert; Huber, Marcus; Lapkiewicz, Radek; Plick, William; Ramelow, Sven; Zeilinger, Anton

2013-01-01

Photons with complex spatial mode structures open up possibilities for new fundamental high-dimensional quantum experiments and for novel quantum information tasks. Here we show entanglement of photons with complex vortex and singularity patterns called Ince-Gauss modes. In these modes, the position and number of singularities vary depending on the mode parameters. We verify two-dimensional and three-dimensional entanglement of Ince-Gauss modes. By measuring one photon and thereby defining its singularity pattern, we nonlocally steer the singularity structure of its entangled partner, while the initial singularity structure of the photons is undefined. In addition we measure an Ince-Gauss specific quantum-correlation function with possible use in future quantum communication protocols.

Quantifiable Assessment of SWNT Dispersion in Polymer Composites

NASA Technical Reports Server (NTRS)

Park, Cheol; Kim, Jae-Woo; Wise, Kristopher E.; Working, Dennis; Siochi, Mia; Harrison, Joycelyn; Gibbons, Luke; Siochi, Emilie J.; Lillehei, Peter T.; Cantrell, Sean;

Osmium-Isotope and Platinum-Group-Element Systematics of Impact-Melt Rocks, Chesapeake Bay Impact Structure, Virginia, USA

NASA Technical Reports Server (NTRS)

Lee, Seung Ryeol; Wright Horton, J., Jr.; Walker, Richard J.

2005-01-01

Osmium (Os) isotopes and platinum-group elements (PGEs) are useful for geochemically identifying a meteoritic component within impact structures, because meteorites are typically characterized by low (187)Os/(188)Os ratios and high PGE concentrations. In contrast, most types of crustal target rocks have high radiogenic Os and very low PGE concentrations. We have examined Os isotope and PGE systematics of impact-melt rocks and pre-impact target rocks from a 2004 test hole in the late Eocene Chesapeake Bay impact structure and from nearby coreholes. Our goal is to determine the proportion of the projectile component in the melt rock Additional information is included in the original extended abstract.

Bed inventory overturn in a circulating fluid bed riser with pant-leg structure

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

Jinjing Li; Wei Wang; Hairui Yang

2009-05-15

The special phenomenon, nominated as bed inventory overturn, in circulating fluid bed (CFB) riser with pant-leg structure was studied with model calculation and experimental work. A compounded pressure drop mathematic model was developed and validated with the experimental data in a cold experimental test rig. The model calculation results agree well with the measured data. In addition, the intensity of bed inventory overturn is directly proportional to the fluidizing velocity and is inversely proportional to the branch point height. The results in the present study provide significant information for the design and operation of a CFB boiler with pant-leg structure.more » 15 refs., 10 figs., 1 tab.« less

AQUIS: A PC-based air inventory and permit manager

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

Smith, A.E.; Huber, C.C.; Tschanz, J.

1992-01-01

The Air Quality Utility Information System (AQUIS) was developed to calculate and track sources, emissions, stacks, permits, and related information. The system runs on IBM-compatible personal computers with dBASE IV and tracks more than 1,200 data items distributed among various source categories. AQUIS is currently operating at nine US Air Force facilities that have up to 1,000 sources. The system provides a flexible reporting capability that permits users who are unfamiliar with database structure to design and prepare reports containing user-specified information. In addition to six criteria pollutants, AQUIS calculates compound-specific emissions and allows users to enter their own emissionmore » estimates.« less

Representing Information in Patient Reports Using Natural Language Processing and the Extensible Markup Language

PubMed Central

Friedman, Carol; Hripcsak, George; Shagina, Lyuda; Liu, Hongfang

1999-01-01

Objective: To design a document model that provides reliable and efficient access to clinical information in patient reports for a broad range of clinical applications, and to implement an automated method using natural language processing that maps textual reports to a form consistent with the model. Methods: A document model that encodes structured clinical information in patient reports while retaining the original contents was designed using the extensible markup language (XML), and a document type definition (DTD) was created. An existing natural language processor (NLP) was modified to generate output consistent with the model. Two hundred reports were processed using the modified NLP system, and the XML output that was generated was validated using an XML validating parser. Results: The modified NLP system successfully processed all 200 reports. The output of one report was invalid, and 199 reports were valid XML forms consistent with the DTD. Conclusions: Natural language processing can be used to automatically create an enriched document that contains a structured component whose elements are linked to portions of the original textual report. This integrated document model provides a representation where documents containing specific information can be accurately and efficiently retrieved by querying the structured components. If manual review of the documents is desired, the salient information in the original reports can also be identified and highlighted. Using an XML model of tagging provides an additional benefit in that software tools that manipulate XML documents are readily available. PMID:9925230

Diel habitat selection of largemouth bass following woody structure installation in Table Rock Lake, Missouri

USGS Publications Warehouse

Harris, J.M.; Paukert, Craig P.; Bush, S.C.; Allen, M.J.; Siepker, Michael

2018-01-01

Largemouth bass Micropterus salmoides (Lacepède) use of installed habitat structure was evaluated in a large Midwestern USA reservoir to determine whether or not these structures were used in similar proportion to natural habitats. Seventy largemouth bass (>380 mm total length) were surgically implanted with radio transmitters and a subset was relocated monthly during day and night for one year. The top habitat selection models (based on Akaike's information criterion) suggest largemouth bass select 2–4 m depths during night and 4–7 m during day, whereas littoral structure selection was similar across diel periods. Largemouth bass selected boat docks at twice the rate of other structures. Installed woody structure was selected at similar rates to naturally occurring complex woody structure, whereas both were selected at a higher rate than simple woody structure. The results suggest the addition of woody structure may concentrate largemouth bass and mitigate the loss of woody habitat in a large reservoir.

Simulation Studies of Forest Structure using 3D Lidar and Radar Models

NASA Technical Reports Server (NTRS)

Sun, Guoqing; Ranson, K. Jon; Koetz, Benjamin; Liu, Dawei

2007-01-01

The use of lidars and radars to measure forest structure attributes such as height and biomass are being considered for future Earth Observation missions. Large footprint lidar makes a direct measurement of the heights of scatterers in the illuminated footprint and can yield information about the vertical profile of the canopy. Synthetic Aperture Radar (SAR) is known to sense the canopy volume, especially at longer wavelengths and is useful for estimating biomass. Interferometric SAR (InSAR) has been shown to yield forest canopy height information. For example, the height of scattering phase retrieved from InSAR data is considered to be correlated with the three height and the spatial structure of the forest stand. There is much interest in exploiting these technologies separately and together to get important information for carbon cycle and ecosystem science. More detailed information of the electromagnetic radiation interactions within forest canopies is needed. And backscattering models can be of much utility here. As part of a NASA funded project to explore data fusion, a three-dimensional (3D) coherent radar backscattering model and a 3D lidar backscatter models were used to investigate the use of large footprint lidar, SAR and InSAR for characterizing realistic forest scenes. For this paper, we use stem maps and other forest measurements to develop a realistic spatial structure of a spruce-hemlock forest canopy found in Maine, USA. The radar and lidar models used measurements of the 3D forest scene as input and simulated the coherent radar backscattering signature and 1064nm energy backscatter, respectively. The relationships of backscatter derived forest structure were compared with field measurements. In addition, we also had detailed airborne lidar (Laser Imaging Vegetation Sensor, LVIS) data available over the stem map sites that was used to study the accuracies of tree height derived from modeled SAR backscatter and the scattering phase center retrieved from the simulated InSAR data will be compared with the height indices, or other structure parameters derived from the lidar data. These results will address the possible synergies between lidar and radar in data in terms of forest structural information.

Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonist

NASA Astrophysics Data System (ADS)

Marmolejo-Valencia, A. F.; Martínez-Mayorga, K.

2017-05-01

Modulation of opioid receptors is the primary choice for pain management and structural information studies have gained new horizons with the recently available X-ray crystal structures. Herkinorin is one of the most remarkable salvinorin A derivative with high affinity for the mu opioid receptor, moderate selectivity and lack of nitrogen atoms on its structure. Surprisingly, binding models for herkinorin are lacking. In this work, we explore binding models of herkinorin using automated docking, molecular dynamics simulations, free energy calculations and available experimental information. Our herkinorin D-ICM-1 binding model predicted a binding free energy of -11.52 ± 1.14 kcal mol-1 by alchemical free energy estimations, which is close to the experimental values -10.91 ± 0.2 and -10.80 ± 0.05 kcal mol-1 and is in agreement with experimental structural information. Specifically, D-ICM-1 molecular dynamics simulations showed a water-mediated interaction between D-ICM-1 and the amino acid H2976.52, this interaction coincides with the co-crystallized ligands. Another relevant interaction, with N1272.63, allowed to rationalize herkinorin's selectivity to mu over delta opioid receptors. Our suggested binding model for herkinorin is in agreement with this and additional experimental data. The most remarkable observation derived from our D-ICM-1 model is that herkinorin reaches an allosteric sodium ion binding site near N1503.35. Key interactions in that region appear relevant for the lack of β-arrestin recruitment by herkinorin. This interaction is key for downstream signaling pathways involved in the development of side effects, such as tolerance. Future SAR studies and medicinal chemistry efforts will benefit from the structural information presented in this work.

A tool for calculating binding-site residues on proteins from PDB structures.

PubMed

Hu, Jing; Yan, Changhui

2009-08-03

In the research on protein functional sites, researchers often need to identify binding-site residues on a protein. A commonly used strategy is to find a complex structure from the Protein Data Bank (PDB) that consists of the protein of interest and its interacting partner(s) and calculate binding-site residues based on the complex structure. However, since a protein may participate in multiple interactions, the binding-site residues calculated based on one complex structure usually do not reveal all binding sites on a protein. Thus, this requires researchers to find all PDB complexes that contain the protein of interest and combine the binding-site information gleaned from them. This process is very time-consuming. Especially, combing binding-site information obtained from different PDB structures requires tedious work to align protein sequences. The process becomes overwhelmingly difficult when researchers have a large set of proteins to analyze, which is usually the case in practice. In this study, we have developed a tool for calculating binding-site residues on proteins, TCBRP http://yanbioinformatics.cs.usu.edu:8080/ppbindingsubmit. For an input protein, TCBRP can quickly find all binding-site residues on the protein by automatically combining the information obtained from all PDB structures that consist of the protein of interest. Additionally, TCBRP presents the binding-site residues in different categories according to the interaction type. TCBRP also allows researchers to set the definition of binding-site residues. The developed tool is very useful for the research on protein binding site analysis and prediction.

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

Langton, C.

Concrete containment structures and cement-based fills and waste forms are used at the Savannah River Site to enhance the performance of shallow land disposal systems designed for containment of low-level radioactive waste. Understanding and measuring transport through cracked concrete is important for describing the initial condition of radioactive waste containment structures at the Savannah River Site (SRS) and for predicting performance of these structures over time. This report transmits the results of a literature review on transport through cracked concrete which was performed by Professor Jason Weiss, Purdue University per SRR0000678 (RFP-RQ00001029-WY). This review complements the NRC-sponsored literature review andmore » assessment of factors relevant to performance of grouted systems for radioactive waste disposal. This review was performed by The Center for Nuclear Waste Regulatory Analyses, San Antonio, TX, and The University of Aberdeen, Aberdeen Scotland and was focused on tank closure. The objective of the literature review on transport through cracked concrete was to identify information in the open literature which can be applied to SRS transport models for cementitious containment structures, fills, and waste forms. In addition, the literature review was intended to: (1) Provide a framework for describing and classifying cracks in containment structures and cementitious materials used in radioactive waste disposal, (2) Document the state of knowledge and research related to transport through cracks in concrete for various exposure conditions, (3) Provide information or methodology for answering several specific questions related to cracking and transport in concrete, and (4) Provide information that can be used to design experiments on transport through cracked samples and actual structures.« less

Simultaneous Neutron and X-ray Tomography for Quantitative analysis of Geological Samples

NASA Astrophysics Data System (ADS)

LaManna, J.; Hussey, D. S.; Baltic, E.; Jacobson, D. L.

2016-12-01

Multiphase flow is a critical area of research for shale gas, oil recovery, underground CO2 sequestration, geothermal power, and aquifer management. It is critical to understand the porous structure of the geological formations in addition to the fluid/pore and fluid/fluid interactions. Difficulties for analyzing flow characteristics of rock cores are in obtaining 3D distribution information on the fluid flow and maintaining the cores in a state for other analysis methods. Two powerful non-destructive methods for obtaining 3D structural and compositional information are X-ray and neutron tomography. X-ray tomography produces information on density and structure while neutrons excel at acquiring the liquid phase and produces compositional information. These two methods can offer strong complementary information but are typically conducted at separate times and often at different facilities. This poses issues for obtaining dynamic and stochastic information as the sample will change between analysis modes. To address this, NIST has developed a system that allows for multimodal, simultaneous tomography using thermal neutrons and X-rays by placing a 90 keVp micro-focus X-ray tube 90° to the neutron beam. High pressure core holders that simulate underground conditions have been developed to facilitate simultaneous tomography. These cells allow for the control of confining pressure, axial load, temperature, and fluid flow through the core. This talk will give an overview the simultaneous neutron and x-ray tomography capabilities at NIST, the benefits of multimodal imaging, environmental equipment for geology studies, and several case studies that have been conducted at NIST.

Cellulose synthases: new insights from crystallography and modeling.

PubMed

Slabaugh, Erin; Davis, Jonathan K; Haigler, Candace H; Yingling, Yaroslava G; Zimmer, Jochen

2014-02-01

Detailed information about the structure and biochemical mechanisms of cellulose synthase (CelS) proteins remained elusive until a complex containing the catalytic subunit (BcsA) of CelS from Rhodobacter sphaeroides was crystalized. Additionally, a 3D structure of most of the cytosolic domain of a plant CelS (GhCESA1 from cotton, Gossypium hirsutum) was produced by computational modeling. This predicted structure contributes to our understanding of how plant CelS proteins may be similar and different as compared with BcsA. In this review, we highlight how these structures impact our understanding of the synthesis of cellulose and other extracellular polysaccharides. We show how the structures can be used to generate hypotheses for experiments testing mechanisms of glucan synthesis and translocation in plant CelS. Copyright © 2013 Elsevier Ltd. All rights reserved.

Tomography reconstruction methods for damage diagnosis of wood structure in construction field

NASA Astrophysics Data System (ADS)

Qiu, Qiwen; Lau, Denvid

2018-03-01

The structural integrity of wood building element plays a critical role in the public safety, which requires effective methods for diagnosis of internal damage inside the wood body. Conventionally, the non-destructive testing (NDT) methods such as X-ray computed tomography, thermography, radar imaging reconstruction method, ultrasonic tomography, nuclear magnetic imaging techniques, and sonic tomography have been used to obtain the information about the internal structure of wood. In this paper, the applications, advantages and disadvantages of these traditional tomography methods are reviewed. Additionally, the present article gives an overview of recently developed tomography approach that relies on the use of mechanical and electromagnetic waves for assessing the structural integrity of wood buildings. This developed tomography reconstruction method is believed to provide a more accurate, reliable, and comprehensive assessment of wood structural integrity

Development and operation of NEW-KOTIS : In-house technical information database of Nippon Kokan Corp.

NASA Astrophysics Data System (ADS)

Yagi, Yukio; Takahashi, Kaei

The purpose of this report is to describe how the activities for managing technical information has been and is now being conducted by the Engineering department of Nippon Kokan Corp. In addition, as a practical example of database generation promoted by the department, this book gives whole aspects of the NEW-KOTIS (background of its development, history, features, functional details, control and operation method, use in search operations, and so forth). The NEW-KOTIS (3rd-term system) is an "in-house technical information database system," which started its operation on May, 1987. This database system now contains approximately 65,000 information items (research reports, investigation reports, technical reports, etc.) generated within the company, and this information is available to anyone in any department through the network connecting all the company's structures.

Structural Health Monitoring in Composite Structures by Fiber-Optic Sensors.

PubMed

Güemes, Alfredo; Fernández-López, Antonio; F Díaz-Maroto, Patricia; Lozano, Angel; Sierra-Perez, Julian

2018-04-04

Fiber-optic sensors cannot measure damage; to get information about damage from strain measurements, additional strategies are needed, and several alternatives are available in the existing literature. This paper discusses two independent procedures. The first is based on detecting new strains appearing around a damage spot. The structure does not need to be under loads, the technique is very robust, and damage detectability is high, but it requires sensors to be located very close to the damage, so it is a local technique. The second approach offers wider coverage of the structure; it is based on identifying the changes caused by damage on the strain field in the whole structure for similar external loads. Damage location does not need to be known a priori, and detectability is dependent upon the sensor's network density, the damage size, and the external loads. Examples of application to real structures are given.

Iconicity as structure mapping

PubMed Central

Emmorey, Karen

2014-01-01

Linguistic and psycholinguistic evidence is presented to support the use of structure-mapping theory as a framework for understanding effects of iconicity on sign language grammar and processing. The existence of structured mappings between phonological form and semantic mental representations has been shown to explain the nature of metaphor and pronominal anaphora in sign languages. With respect to processing, it is argued that psycholinguistic effects of iconicity may only be observed when the task specifically taps into such structured mappings. In addition, language acquisition effects may only be observed when the relevant cognitive abilities are in place (e.g. the ability to make structural comparisons) and when the relevant conceptual knowledge has been acquired (i.e. information key to processing the iconic mapping). Finally, it is suggested that iconicity is better understood as a structured mapping between two mental representations than as a link between linguistic form and human experience. PMID:25092669

Electron crystallography and aquaporins.

PubMed

Schenk, Andreas D; Hite, Richard K; Engel, Andreas; Fujiyoshi, Yoshinori; Walz, Thomas

2010-01-01

Electron crystallography of two-dimensional (2D) crystals can provide information on the structure of membrane proteins at near-atomic resolution. Originally developed and used to determine the structure of bacteriorhodopsin (bR), electron crystallography has recently been applied to elucidate the structure of aquaporins (AQPs), a family of membrane proteins that form pores mostly for water but also other solutes. While electron crystallography has made major contributions to our understanding of the structure and function of AQPs, structural studies on AQPs, in turn, have fostered a number of technical developments in electron crystallography. In this contribution, we summarize the insights electron crystallography has provided into the biology of AQPs, and describe technical advancements in electron crystallography that were driven by structural studies on AQP 2D crystals. In addition, we discuss some of the lessons that were learned from electron crystallographic work on AQPs. Copyright © 2010 Elsevier Inc. All rights reserved.

Structural Health Monitoring in Composite Structures by Fiber-Optic Sensors †

PubMed Central

Güemes, Alfredo; Díaz-Maroto, Patricia F.; Lozano, Angel; Sierra-Perez, Julian

2018-01-01

Fiber-optic sensors cannot measure damage; to get information about damage from strain measurements, additional strategies are needed, and several alternatives are available in the existing literature. This paper discusses two independent procedures. The first is based on detecting new strains appearing around a damage spot. The structure does not need to be under loads, the technique is very robust, and damage detectability is high, but it requires sensors to be located very close to the damage, so it is a local technique. The second approach offers wider coverage of the structure; it is based on identifying the changes caused by damage on the strain field in the whole structure for similar external loads. Damage location does not need to be known a priori, and detectability is dependent upon the sensor’s network density, the damage size, and the external loads. Examples of application to real structures are given. PMID:29617345

Registering 2D and 3D imaging data of bone during healing.

PubMed

Hoerth, Rebecca M; Baum, Daniel; Knötel, David; Prohaska, Steffen; Willie, Bettina M; Duda, Georg N; Hege, Hans-Christian; Fratzl, Peter; Wagermaier, Wolfgang

2015-04-01

PURPOSE/AIMS OF THE STUDY: Bone's hierarchical structure can be visualized using a variety of methods. Many techniques, such as light and electron microscopy generate two-dimensional (2D) images, while micro-computed tomography (µCT) allows a direct representation of the three-dimensional (3D) structure. In addition, different methods provide complementary structural information, such as the arrangement of organic or inorganic compounds. The overall aim of the present study is to answer bone research questions by linking information of different 2D and 3D imaging techniques. A great challenge in combining different methods arises from the fact that they usually reflect different characteristics of the real structure. We investigated bone during healing by means of µCT and a couple of 2D methods. Backscattered electron images were used to qualitatively evaluate the tissue's calcium content and served as a position map for other experimental data. Nanoindentation and X-ray scattering experiments were performed to visualize mechanical and structural properties. We present an approach for the registration of 2D data in a 3D µCT reference frame, where scanning electron microscopies serve as a methodic link. Backscattered electron images are perfectly suited for registration into µCT reference frames, since both show structures based on the same physical principles. We introduce specific registration tools that have been developed to perform the registration process in a semi-automatic way. By applying this routine, we were able to exactly locate structural information (e.g. mineral particle properties) in the 3D bone volume. In bone healing studies this will help to better understand basic formation, remodeling and mineralization processes.

Welcoming natural isotopic abundance in solid-state NMR: probing π-stacking and supramolecular structure of organic nanoassemblies using DNP† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc02709a Click here for additional data file.

PubMed Central

Märker, Katharina; Paul, Subhradip; Fernández-de-Alba, Carlos; Lee, Daniel; Mouesca, Jean-Marie; Hediger, Sabine

2017-01-01

The self-assembly of small organic molecules is an intriguing phenomenon, which provides nanoscale structures for applications in numerous fields from medicine to molecular electronics. Detailed knowledge of their structure, in particular on the supramolecular level, is a prerequisite for the rational design of improved self-assembled systems. In this work, we prove the feasibility of a novel concept of NMR-based 3D structure determination of such assemblies in the solid state. The key point of this concept is the deliberate use of samples that contain 13C at its natural isotopic abundance (NA, 1.1%), while exploiting magic-angle spinning dynamic nuclear polarization (MAS-DNP) to compensate for the reduced sensitivity. Since dipolar truncation effects are suppressed to a large extent in NA samples, unique and highly informative spectra can be recorded which are impossible to obtain on an isotopically labeled system. On the self-assembled cyclic diphenylalanine peptide, we demonstrate the detection of long-range internuclear distances up to ∼7 Å, allowing us to observe π-stacking through 13C–13C correlation spectra, providing a powerful tool for the analysis of one of the most important non-covalent interactions. Furthermore, experimental polarization transfer curves are in remarkable agreement with numerical simulations based on the crystallographic structure, and can be fully rationalized as the superposition of intra- and intermolecular contributions. This new approach to NMR crystallography provides access to rich and precise structural information, opening up a new avenue to de novo crystal structure determination by NMR. PMID:28451235

Experimental validation of finite element model analysis of a steel frame in simulated post-earthquake fire environments

NASA Astrophysics Data System (ADS)

Huang, Ying; Bevans, W. J.; Xiao, Hai; Zhou, Zhi; Chen, Genda

2012-04-01

During or after an earthquake event, building system often experiences large strains due to shaking effects as observed during recent earthquakes, causing permanent inelastic deformation. In addition to the inelastic deformation induced by the earthquake effect, the post-earthquake fires associated with short fuse of electrical systems and leakage of gas devices can further strain the already damaged structures during the earthquakes, potentially leading to a progressive collapse of buildings. Under these harsh environments, measurements on the involved building by various sensors could only provide limited structural health information. Finite element model analysis, on the other hand, if validated by predesigned experiments, can provide detail structural behavior information of the entire structures. In this paper, a temperature dependent nonlinear 3-D finite element model (FEM) of a one-story steel frame is set up by ABAQUS based on the cited material property of steel from EN 1993-1.2 and AISC manuals. The FEM is validated by testing the modeled steel frame in simulated post-earthquake environments. Comparisons between the FEM analysis and the experimental results show that the FEM predicts the structural behavior of the steel frame in post-earthquake fire conditions reasonably. With experimental validations, the FEM analysis of critical structures could be continuously predicted for structures in these harsh environments for a better assistant to fire fighters in their rescue efforts and save fire victims.

Hebbian Wiring Plasticity Generates Efficient Network Structures for Robust Inference with Synaptic Weight Plasticity

PubMed Central

Hiratani, Naoki; Fukai, Tomoki

2016-01-01

In the adult mammalian cortex, a small fraction of spines are created and eliminated every day, and the resultant synaptic connection structure is highly nonrandom, even in local circuits. However, it remains unknown whether a particular synaptic connection structure is functionally advantageous in local circuits, and why creation and elimination of synaptic connections is necessary in addition to rich synaptic weight plasticity. To answer these questions, we studied an inference task model through theoretical and numerical analyses. We demonstrate that a robustly beneficial network structure naturally emerges by combining Hebbian-type synaptic weight plasticity and wiring plasticity. Especially in a sparsely connected network, wiring plasticity achieves reliable computation by enabling efficient information transmission. Furthermore, the proposed rule reproduces experimental observed correlation between spine dynamics and task performance. PMID:27303271

Structural Dynamics of Picornaviral RdRP Complexes. Implications for the Design of Antivirals

NASA Astrophysics Data System (ADS)

Verdaguer, Núria; Ferrer-Orta, Cristina; Domingo, Esteban

Genome replication in picornavirus is catalyzed by a virally encoded RNA dependent RNA polymerase, termed 3D. These viruses also use a small protein primer, named VPg to initiate RNA replication. Polymerase 3D also catalyzes the covalent linkage of UMP to a N-terminal tyrosine on VPg. Seven different crystal structures of foot-and-mouth disease virus (FMDV) 3D catalytic complexes have enhanced our understanding of template and primer recognition, VPg uridylylation and rNTP binding and catalysis. In addition, the biochemical and structural analyses of six different FMDV 3D ribavirin resistant mutants provided evidences of three different mechanisms of resistance to this mutagenic nucleoside analogue. Such structural information is providing new insights into the fidelity of RNA replication, and for the design of antiviral compounds.

Perfect Information vs Random Investigation: Safety Guidelines for a Consumer in the Jungle of Product Differentiation.

PubMed

Biondo, Alessio Emanuele; Giarlotta, Alfio; Pluchino, Alessandro; Rapisarda, Andrea

2016-01-01

We present a graph-theoretic model of consumer choice, where final decisions are shown to be influenced by information and knowledge, in the form of individual awareness, discriminating ability, and perception of market structure. Building upon the distance-based Hotelling's differentiation idea, we describe the behavioral experience of several prototypes of consumers, who walk a hypothetical cognitive path in an attempt to maximize their satisfaction. Our simulations show that even consumers endowed with a small amount of information and knowledge may reach a very high level of utility. On the other hand, complete ignorance negatively affects the whole consumption process. In addition, rather unexpectedly, a random walk on the graph reveals to be a winning strategy, below a minimal threshold of information and knowledge.

Perfect Information vs Random Investigation: Safety Guidelines for a Consumer in the Jungle of Product Differentiation

PubMed Central

Biondo, Alessio Emanuele; Giarlotta, Alfio; Pluchino, Alessandro; Rapisarda, Andrea

2016-01-01

We present a graph-theoretic model of consumer choice, where final decisions are shown to be influenced by information and knowledge, in the form of individual awareness, discriminating ability, and perception of market structure. Building upon the distance-based Hotelling’s differentiation idea, we describe the behavioral experience of several prototypes of consumers, who walk a hypothetical cognitive path in an attempt to maximize their satisfaction. Our simulations show that even consumers endowed with a small amount of information and knowledge may reach a very high level of utility. On the other hand, complete ignorance negatively affects the whole consumption process. In addition, rather unexpectedly, a random walk on the graph reveals to be a winning strategy, below a minimal threshold of information and knowledge. PMID:26784700

New methodologies for multi-scale time-variant reliability analysis of complex lifeline networks

NASA Astrophysics Data System (ADS)

Kurtz, Nolan Scot

The cost of maintaining existing civil infrastructure is enormous. Since the livelihood of the public depends on such infrastructure, its state must be managed appropriately using quantitative approaches. Practitioners must consider not only which components are most fragile to hazard, e.g. seismicity, storm surge, hurricane winds, etc., but also how they participate on a network level using network analysis. Focusing on particularly damaged components does not necessarily increase network functionality, which is most important to the people that depend on such infrastructure. Several network analyses, e.g. S-RDA, LP-bounds, and crude-MCS, and performance metrics, e.g. disconnection bounds and component importance, are available for such purposes. Since these networks are existing, the time state is also important. If networks are close to chloride sources, deterioration may be a major issue. Information from field inspections may also have large impacts on quantitative models. To address such issues, hazard risk analysis methodologies for deteriorating networks subjected to seismicity, i.e. earthquakes, have been created from analytics. A bridge component model has been constructed for these methodologies. The bridge fragilities, which were constructed from data, required a deeper level of analysis as these were relevant for specific structures. Furthermore, chloride-induced deterioration network effects were investigated. Depending on how mathematical models incorporate new information, many approaches are available, such as Bayesian model updating. To make such procedures more flexible, an adaptive importance sampling scheme was created for structural reliability problems. Additionally, such a method handles many kinds of system and component problems with singular or multiple important regions of the limit state function. These and previously developed analysis methodologies were found to be strongly sensitive to the network size. Special network topologies may be more or less computationally difficult, while the resolution of the network also has large affects. To take advantage of some types of topologies, network hierarchical structures with super-link representation have been used in the literature to increase the computational efficiency by analyzing smaller, densely connected networks; however, such structures were based on user input and subjective at times. To address this, algorithms must be automated and reliable. These hierarchical structures may indicate the structure of the network itself. This risk analysis methodology has been expanded to larger networks using such automated hierarchical structures. Component importance is the most important objective from such network analysis; however, this may only provide the information of which bridges to inspect/repair earliest and little else. High correlations influence such component importance measures in a negative manner. Additionally, a regional approach is not appropriately modelled. To investigate a more regional view, group importance measures based on hierarchical structures have been created. Such structures may also be used to create regional inspection/repair approaches. Using these analytical, quantitative risk approaches, the next generation of decision makers may make both component and regional-based optimal decisions using information from both network function and further effects of infrastructure deterioration.

DTFM Modeling and Analysis Method for Gossamer Structures

NASA Technical Reports Server (NTRS)

Fang, Hou-Fei; Lou, Michael; Broduer, Steve (Technical Monitor)

2001-01-01

Gossamer systems are mostly composed of support structures formed by highly flexible, long tubular elements and pre-tensioned thin-film membranes. These systems offer order-of-magnitude reductions in mass and launch volume and will revolutionize the architecture and design of space flight systems that require large in-orbit configurations and apertures. A great interest has been generated in recent years to fly gossamer systems on near-term and future space missions. Modeling and analysis requirements for gossamer structures are unique. Simulation of in-space performance issues of gossamer structures, such as inflation deployment of flexible booms, formation and effects of wrinkle in tensioned membranes, synthesis of tubular and membrane elements into a complete structural system, usually cannot be accomplished by using the general-purpose finite-element structural analysis codes. This has led to the need of structural modeling and analysis capabilities specifically suitable for gossamer structures. The Distributed Transfer Function Method (DTFM) can potentially meet this urgent need. Additional information is contained in the original extended abstract.

Two possible improvements for mass spectrometry analysis of intact biomolecules.

PubMed

Raznikov, Valeriy V; Zelenov, Vladislav V; Aparina, Elena V; Pikhtelev, Alexander R; Sulimenkov, Ilia V; Raznikova, Marina O

2017-08-01

The goals of our study were to investigate abilities of two approaches to eliminate possible errors in electrospray mass spectrometry measurements of biomolecules. Passing of a relatively dense supersonic gas jet through ionization region followed by its hitting the spray of the analyzed solution in low vacuum may be effective to keep an initial biomolecule structure in solution. Provided that retention of charge carriers for some sites in the biomolecule cannot be changed noticeably in electrospray ion source, decomposition and separation of charge-state distributions of electrosprayed ions may give additional information about native structure of biomolecules in solution.

MSX-3D: a tool to validate 3D protein models using mass spectrometry.

PubMed

Heymann, Michaël; Paramelle, David; Subra, Gilles; Forest, Eric; Martinez, Jean; Geourjon, Christophe; Deléage, Gilbert

2008-12-01

The technique of chemical cross-linking followed by mass spectrometry has proven to bring valuable information about the protein structure and interactions between proteic subunits. It is an effective and efficient way to experimentally investigate some aspects of a protein structure when NMR and X-ray crystallography data are lacking. We introduce MSX-3D, a tool specifically geared to validate protein models using mass spectrometry. In addition to classical peptides identifications, it allows an interactive 3D visualization of the distance constraints derived from a cross-linking experiment. Freely available at http://proteomics-pbil.ibcp.fr

The newly expanded KSC Visitors Complex features a new ticket plaza, information center, exhibits an

NASA Technical Reports Server (NTRS)

1999-01-01

The $13 million expansion to KSC's Visitor Complex includes a new International Space Station-themed ticket plaza, featuring a structure of overhanging solar panels and astronauts performing assembly tasks. Other additions are a new information center, a walk-through Robot Scouts exhibit, a wildlife exhibit, and the film Quest for Life in a new 300-seat theater. The KSC Visitor Complex was inaugurated three decades ago and is now one of the top five tourist attractions in Florida. It is located on S.R. 407, east of I-95, within the Merritt Island National Wildlife Refuge.

The newly expanded KSC Visitors Complex features a new ticket plaza, information center, exhibits an

NASA Technical Reports Server (NTRS)

1999-01-01

At the grand opening of the newly expanded KSC Visitor Complex, Center Director Roy Bridges addresses guests and the media. The $13 million addition to the Visitor Complex includes an International Space Station-themed ticket plaza, featuring a structure of overhanging solar panels and astronauts performing assembly tasks, a new information center, films, and exhibits. The KSC Visitor Complex was inaugurated three decades ago and is now one of the top five tourist attractions in Florida. It is located on S.R. 407, east of I-95, within the Merritt Island National Wildlife Refuge.

The newly expanded KSC Visitors Complex features a new ticket plaza, information center, exhibits an

NASA Technical Reports Server (NTRS)

1999-01-01

The $13 million expansion to KSC's Visitor Complex includes a new International Space Station-themed ticket plaza, featuring a structure of overhanging solar panels and astronauts performing assembly tasks. Other additions are the new information center, a walk-through Robot Scouts exhibit, a wildlife exhibit, and the film Quest for Life in a new 300-seat theater. The KSC Visitor Complex was inaugurated three decades ago and is now one of the top five tourist attractions in Florida. It is located on S.R. 407, east of I-95, within the Merritt Island National Wildlife Refuge.

Predicting Gene Structures from Multiple RT-PCR Tests

NASA Astrophysics Data System (ADS)

Kováč, Jakub; Vinař, Tomáš; Brejová, Broňa

It has been demonstrated that the use of additional information such as ESTs and protein homology can significantly improve accuracy of gene prediction. However, many sources of external information are still being omitted from consideration. Here, we investigate the use of product lengths from RT-PCR experiments in gene finding. We present hardness results and practical algorithms for several variants of the problem and apply our methods to a real RT-PCR data set in the Drosophila genome. We conclude that the use of RT-PCR data can improve the sensitivity of gene prediction and locate novel splicing variants.

Diagnostic Imaging of the Hepatobiliary System: An Update.

PubMed

Marolf, Angela J

2017-05-01

Recent advances in diagnostic imaging of the hepatobiliary system include MRI, computed tomography (CT), contrast-enhanced ultrasound, and ultrasound elastography. With the advent of multislice CT scanners, sedated examinations in veterinary patients are feasible, increasing the utility of this imaging modality. CT and MRI provide additional information for dogs and cats with hepatobiliary diseases due to lack of superimposition of structures, operator dependence, and through intravenous contrast administration. Advanced ultrasound methods can offer complementary information to standard ultrasound imaging. These newer imaging modalities assist clinicians by aiding diagnosis, prognostication, and surgical planning. Copyright © 2016 Elsevier Inc. All rights reserved.

Studies on anticancer activities of lactoferrin and lactoferricin.

PubMed

Yin, Cui Ming; Wong, Jack Ho; Xia, Jiang; Ng, Tzi Bun

2013-09-01

This review mainly summarizes results of recent studies on the anticancer activity of the multifunctional protein lactoferrin (Lf) and its derived peptide lactoferricin (Lfcin). The basic information on Lf and Lfcin, such as their sources, structures, and biological properties which favor their antitumor activity is introduced. The major anticancer mechanisms of Lf and Lfcin including cell cycle arrest, apoptosis, anti-angiogenesis, antimetastasis, immune modulation and necrosis are discussed. Other information from in vivo studies employing a mouse model is also provided. In addition, the roles of talatoferrin and delta lactoferrin, as well as improvement in drug delivery will be covered.

A Computational Approach From Gene to Structure Analysis of the Human ABCA4 Transporter Involved in Genetic Retinal Diseases.

PubMed

Trezza, Alfonso; Bernini, Andrea; Langella, Andrea; Ascher, David B; Pires, Douglas E V; Sodi, Andrea; Passerini, Ilaria; Pelo, Elisabetta; Rizzo, Stanislao; Niccolai, Neri; Spiga, Ottavia

2017-10-01

The aim of this article is to report the investigation of the structural features of ABCA4, a protein associated with a genetic retinal disease. A new database collecting knowledge of ABCA4 structure may facilitate predictions about the possible functional consequences of gene mutations observed in clinical practice. In order to correlate structural and functional effects of the observed mutations, the structure of mouse P-glycoprotein was used as a template for homology modeling. The obtained structural information and genetic data are the basis of our relational database (ABCA4Database). Sequence variability among all ABCA4-deposited entries was calculated and reported as Shannon entropy score at the residue level. The three-dimensional model of ABCA4 structure was used to locate the spatial distribution of the observed variable regions. Our predictions from structural in silico tools were able to accurately link the functional effects of mutations to phenotype. The development of the ABCA4Database gathers all the available genetic and structural information, yielding a global view of the molecular basis of some retinal diseases. ABCA4 modeled structure provides a molecular basis on which to analyze protein sequence mutations related to genetic retinal disease in order to predict the risk of retinal disease across all possible ABCA4 mutations. Additionally, our ABCA4 predicted structure is a good starting point for the creation of a new data analysis model, appropriate for precision medicine, in order to develop a deeper knowledge network of the disease and to improve the management of patients.

Designing and benchmarking the MULTICOM protein structure prediction system

PubMed Central

2013-01-01

Background Predicting protein structure from sequence is one of the most significant and challenging problems in bioinformatics. Numerous bioinformatics techniques and tools have been developed to tackle almost every aspect of protein structure prediction ranging from structural feature prediction, template identification and query-template alignment to structure sampling, model quality assessment, and model refinement. How to synergistically select, integrate and improve the strengths of the complementary techniques at each prediction stage and build a high-performance system is becoming a critical issue for constructing a successful, competitive protein structure predictor. Results Over the past several years, we have constructed a standalone protein structure prediction system MULTICOM that combines multiple sources of information and complementary methods at all five stages of the protein structure prediction process including template identification, template combination, model generation, model assessment, and model refinement. The system was blindly tested during the ninth Critical Assessment of Techniques for Protein Structure Prediction (CASP9) in 2010 and yielded very good performance. In addition to studying the overall performance on the CASP9 benchmark, we thoroughly investigated the performance and contributions of each component at each stage of prediction. Conclusions Our comprehensive and comparative study not only provides useful and practical insights about how to select, improve, and integrate complementary methods to build a cutting-edge protein structure prediction system but also identifies a few new sources of information that may help improve the design of a protein structure prediction system. Several components used in the MULTICOM system are available at: http://sysbio.rnet.missouri.edu/multicom_toolbox/. PMID:23442819

Predicting tree species presence and basal area in Utah: A comparison of stochastic gradient boosting, generalized additive models, and tree-based methods

Treesearch

Gretchen G. Moisen; Elizabeth A. Freeman; Jock A. Blackard; Tracey S. Frescino; Niklaus E. Zimmermann; Thomas C. Edwards

2006-01-01

Many efforts are underway to produce broad-scale forest attribute maps by modelling forest class and structure variables collected in forest inventories as functions of satellite-based and biophysical information. Typically, variants of classification and regression trees implemented in Rulequest's© See5 and Cubist (for binary and continuous responses,...

Design and Diagnosis Problem Solving with Multifunctional Technical Knowledge Bases

DTIC Science & Technology

1992-09-29

STRUCTURE METHODOLOGY Design problem solving is a complex activity involving a number of subtasks. and a number of alternative methods potentially available...Conference on Artificial Intelligence. London: The British Computer Society, pp. 621-633. Friedland, P. (1979). Knowledge-based experimental design ...Computing Milieuxl: Management of Computing and Information Systems- -ty,*m man- agement General Terms: Design . Methodology Additional Key Words and Phrases

12 CFR Appendix A to Part 371 - File Structure for Qualified Financial Contract (QFC) Records

Code of Federal Regulations, 2010 CFR

2010-01-01

... acceptable to the FDIC, the position level data found in Table A1 for all open positions in QFCs entered into... electronic files that will be used by the institution to maintain the position level data found in Table A1... this information. In addition, for such data, the institution must produce at the close of processing...

12 CFR Appendix A to Part 371 - File Structure for Qualified Financial Contract (QFC) Records

Code of Federal Regulations, 2011 CFR

2011-01-01

... acceptable to the FDIC, the position level data found in Table A1 for all open positions in QFCs entered into... electronic files that will be used by the institution to maintain the position level data found in Table A1... this information. In addition, for such data, the institution must produce at the close of processing...

Chapter 08: Comments on, and additional information for, wood identification

Treesearch

Alex C. Wiedenhoeft

2011-01-01

This manual has described the theory of identification (Chapter 1), the botanical basis of wood structure (Chapter 2), the use of a hand lens (Chapter 3), how to use cutting tools to prepare wood for observation with a lens (Chapter 4), and the characters used in hand lens wood identification (Chapter 5) before leading you through an identification key (Chapter 6) and...

12 CFR Appendix A to Part 371 - File Structure for Qualified Financial Contract (QFC) Records

Code of Federal Regulations, 2013 CFR

2013-01-01

... acceptable to the FDIC, the position level data found in Table A1 for all open positions in QFCs entered into... electronic files that will be used by the institution to maintain the position level data found in Table A1... this information. In addition, for such data, the institution must produce at the close of processing...

12 CFR Appendix A to Part 371 - File Structure for Qualified Financial Contract (QFC) Records

Code of Federal Regulations, 2014 CFR

2014-01-01

... acceptable to the FDIC, the position level data found in Table A1 for all open positions in QFCs entered into... electronic files that will be used by the institution to maintain the position level data found in Table A1... this information. In addition, for such data, the institution must produce at the close of processing...

12 CFR Appendix A to Part 371 - File Structure for Qualified Financial Contract (QFC) Records

Code of Federal Regulations, 2012 CFR

2012-01-01

... acceptable to the FDIC, the position level data found in Table A1 for all open positions in QFCs entered into... electronic files that will be used by the institution to maintain the position level data found in Table A1... this information. In addition, for such data, the institution must produce at the close of processing...

Rotational Dynamics and Time-variable Gravity of Mars and Implications for Volatile Cycling and Atmospheric Structure

NASA Technical Reports Server (NTRS)

Zuber, M. T.; Smith, D. E.

2002-01-01

The seasonal motion of atmospheric material, its deposition and sublimation at the poles, represent a minute redistribution of the planet's mass which has been detected in the motion of the Mars Global Surveyor (MGS) spacecraft. These observations have enabled us to estimate the quantity of material involved. Additional information is contained in the original extended abstract.

Significant Science at Jupiter Using Solar Power

NASA Technical Reports Server (NTRS)

Reitsema, H. J.; Smith, E. J.; Spilker, T.; Reinert, R.

2001-01-01

Missions to the Outer Planets are challenging for a number of reasons, primary of which is the low output of solar arrays at large heliocentric distances. The INSIDE Jupiter mission is a Discovery concept for a science investigation at Jupiter that is capable of producing major studies of the Jovian internal structure and ionospheric-magnetospheric coupling. Additional information is contained in the original extended abstract.

[HEALTH-IMPROVING REMEDIES ON THE BASIS OF SMECTITE®].

PubMed

Shirobokov, V; Yankovskii, D; Dyment, G

2015-01-01

The review is devoted to the issues of using smectites in medicine. Modern information concerning smectite composition, structure, physico-chemical properties and reasonability of using them with health-improving purposes is presented. Special attention is given to smectite sorbtional and ionic properties and their unique mineral composition. Characterization is given to modern preparation based on smectites, including developed in Ukraine dietary additives of the series Smectovit®.

Assessing non-additive effects in GBLUP model.

PubMed

Vieira, I C; Dos Santos, J P R; Pires, L P M; Lima, B M; Gonçalves, F M A; Balestre, M

2017-05-10

Understanding non-additive effects in the expression of quantitative traits is very important in genotype selection, especially in species where the commercial products are clones or hybrids. The use of molecular markers has allowed the study of non-additive genetic effects on a genomic level, in addition to a better understanding of its importance in quantitative traits. Thus, the purpose of this study was to evaluate the behavior of the GBLUP model in different genetic models and relationship matrices and their influence on the estimates of genetic parameters. We used real data of the circumference at breast height in Eucalyptus spp and simulated data from a population of F 2 . Three commonly reported kinship structures in the literature were adopted. The simulation results showed that the inclusion of epistatic kinship improved prediction estimates of genomic breeding values. However, the non-additive effects were not accurately recovered. The Fisher information matrix for real dataset showed high collinearity in estimates of additive, dominant, and epistatic variance, causing no gain in the prediction of the unobserved data and convergence problems. Estimates presented differences of genetic parameters and correlations considering the different kinship structures. Our results show that the inclusion of non-additive effects can improve the predictive ability or even the prediction of additive effects. However, the high distortions observed in the variance estimates when the Hardy-Weinberg equilibrium assumption is violated due to the presence of selection or inbreeding can converge at zero gains in models that consider epistasis in genomic kinship.

Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding† †Electronic supplementary information (ESI) available: General procedures, synthetic details, spectroscopic data, X-ray crystallographic data. CCDC 1524162–1524166. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00034k Click here for additional data file. Click here for additional data file.

PubMed Central

Dutkiewicz, Michał S.; Apostolidis, Christos

2017-01-01

Neptunium complexes in the formal oxidation states II, III, and IV supported by cyclopentadienyl ligands are explored, and significant differences between Np and U highlighted as a result. A series of neptunium(iii) cyclopentadienyl (Cp) complexes [Np(Cp)3], its bis-acetonitrile adduct [Np(Cp)3(NCMe)2], and its KCp adduct K[Np(Cp)4] and [Np(Cp′)3] (Cp′ = C5H4SiMe3) have been made and characterised providing the first single crystal X-ray analyses of NpIII Cp complexes. In all NpCp3 derivatives there are three Cp rings in η5-coordination around the NpIII centre; additionally in [Np(Cp)3] and K[Np(Cp)4] one Cp ring establishes a μ-η1-interaction to one C atom of a neighbouring Np(Cp)3 unit. The solid state structure of K[Np(Cp)4] is unique in containing two different types of metal–Cp coordination geometries in the same crystal. NpIII(Cp)4 units are found exhibiting four units of η5-coordinated Cp rings like in the known complex [NpIV(Cp)4], the structure of which is now reported. A detailed comparison of the structures gives evidence for the change of ionic radii of ca. –8 pm associated with change in oxidation state between NpIII and NpIV. The rich redox chemistry associated with the syntheses is augmented by the reduction of [Np(Cp′)3] by KC8 in the presence of 2.2.2-cryptand to afford a neptunium(ii) complex that is thermally unstable above –10 °C like the UII and ThII complexes K(2.2.2-cryptand)[Th/U(Cp′)3]. Together, these spontaneous and controlled redox reactions of organo-neptunium complexes, along with information from structural characterisation, show the relevance of organometallic Np chemistry to understanding fundamental structure and bonding in the minor actinides. PMID:28553487

GALT protein database: querying structural and functional features of GALT enzyme.

PubMed

d'Acierno, Antonio; Facchiano, Angelo; Marabotti, Anna

2014-09-01

Knowledge of the impact of variations on protein structure can enhance the comprehension of the mechanisms of genetic diseases related to that protein. Here, we present a new version of GALT Protein Database, a Web-accessible data repository for the storage and interrogation of structural effects of variations of the enzyme galactose-1-phosphate uridylyltransferase (GALT), the impairment of which leads to classic Galactosemia, a rare genetic disease. This new version of this database now contains the models of 201 missense variants of GALT enzyme, including heterozygous variants, and it allows users not only to retrieve information about the missense variations affecting this protein, but also to investigate their impact on substrate binding, intersubunit interactions, stability, and other structural features. In addition, it allows the interactive visualization of the models of variants collected into the database. We have developed additional tools to improve the use of the database by nonspecialized users. This Web-accessible database (http://bioinformatica.isa.cnr.it/GALT/GALT2.0) represents a model of tools potentially suitable for application to other proteins that are involved in human pathologies and that are subjected to genetic variations. © 2014 WILEY PERIODICALS, INC.

Structural basis of sodium–potassium exchange of a human telomeric DNA quadruplex without topological conversion

PubMed Central

Wang, Zi-Fu; Li, Ming-Hao; Hsu, Shang-Te Danny; Chang, Ta-Chau

2014-01-01

Understanding the mechanism of Na+/K+-dependent spectral conversion of human telomeric G-quadruplex (G4) sequences has been limited not only because of the structural polymorphism but also the lack of sufficient structural information at different stages along the conversion process for one given oligonucleotide. In this work, we have determined the topology of the Na+ form of Tel23 G4, which is the same hybrid form as the K+ form of Tel23 G4 despite the distinct spectral patterns in their respective nuclear magnetic resonance (NMR) and circular dichroism spectra. The spectral difference, particularly the well-resolved imino proton NMR signals, allows us to monitor the structural conversion from Na+ form to K+ form during Na+/K+ exchange. Time-resolved NMR experiments of hydrogen–deuterium exchange and hybridization clearly exclude involvement of the global unfolding for the fast Na+/K+ spectral conversion. In addition, the K+ titration monitored by NMR reveals that the Na+/K+ exchange in Tel23 G4 is a two-step process. The addition of K+ significantly stabilizes the unfolding kinetics of Tel23 G4. These results offer a possible explanation of rapid spectral conversion of Na+/K+ exchange and insight into the mechanism of Na+/K+ structural conversion in human telomeric G4s. PMID:24476914

Structure-seeking multilinear methods for the analysis of fMRI data.

PubMed

Andersen, Anders H; Rayens, William S

2004-06-01

In comprehensive fMRI studies of brain function, the data structures often contain higher-order ways such as trial, task condition, subject, and group in addition to the intrinsic dimensions of time and space. While multivariate bilinear methods such as principal component analysis (PCA) have been used successfully for extracting information about spatial and temporal features in data from a single fMRI run, the need to unfold higher-order data sets into bilinear arrays has led to decompositions that are nonunique and to the loss of multiway linkages and interactions present in the data. These additional dimensions or ways can be retained in multilinear models to produce structures that are unique and which admit interpretations that are neurophysiologically meaningful. Multiway analysis of fMRI data from multiple runs of a bilateral finger-tapping paradigm was performed using the parallel factor (PARAFAC) model. A trilinear model was fitted to a data cube of dimensions voxels by time by run. Similarly, a quadrilinear model was fitted to a higher-way structure of dimensions voxels by time by trial by run. The spatial and temporal response components were extracted and validated by comparison to results from traditional SVD/PCA analyses based on scenarios of unfolding into lower-order bilinear structures.

Restructuring and Hydrogen Evolution on Pt Nanoparticle† †Electronic supplementary information (ESI) available: Discussions on the structures of Pt clusters and the stability of the subsurface H atoms in Pt cluster, TS structure of H–H coupling on {111} facets of Pt44H80, XYZ coordinate of Pt44 and Pt44H80. Movie of structure evolution at Pt44H50 See DOI: 10.1039/c4sc02806f Click here for additional data file. Click here for additional data file.

PubMed Central

Wei, Guang-Feng

2015-01-01

The restructuring of nanoparticles at the in situ condition is a common but complex phenomenon in nanoscience. Here, we present the first systematic survey on the structure dynamics and its catalytic consequence for hydrogen evolution reaction (HER) on Pt nanoparticles, as represented by a magic number Pt44 octahedron (∼1 nm size). Using a first principles calculation based global structure search method, we stepwise follow the significant nanoparticle restructuring under HER conditions as driven by thermodynamics to expose {100} facets, and reveal the consequent large activity enhancement due to the marked increase of the concentration of the active site, being identified to be apex atoms. The enhanced kinetics is thus a “byproduct” of the thermodynamical restructuring. Based on the results, the best Pt catalyst for HER is predicted to be ultrasmall Pt particles without core atoms, a size below ∼20 atoms. PMID:29560237

The case for 6-component ground motion observations in planetary seismology

NASA Astrophysics Data System (ADS)

Joshi, Rakshit; van Driel, Martin; Donner, Stefanie; Nunn, Ceri; Wassermann, Joachim; Igel, Heiner

2017-04-01

The imminent INSIGHT mission will place a single seismic station on Mars to learn more about the structure of the Martian interior. Due to cost and difficulty, only single stations are currently feasible for planetary missions. We show that future single station missions should also measure rotational ground motions, in addition to the classic 3 components of translational motion. The joint, collocated, 6 component (6C) observations offer access to additional information that can otherwise only be obtained through seismic array measurements or are associated with large uncertainties. An example is the access to local phase velocity information from measurements of amplitude ratios of translations and rotations. When surface waves are available, this implies (in principle) that 1D velocity models can be estimated from Love wave dispersion curves. In addition, rotational ground motion observations can distinguish between Love and Rayleigh waves as well as S and P type motions. Wave propagation directions can be estimated by maximizing (or minimizing) coherence between translational and rotational motions. In combination with velocity-depth estimates, locations of seismic sources can be determined from a single station with little or no prior knowledge of the velocity structure. We demonstrate these points with both theoretical and real data examples using the vertical component of motion from ring laser recordings at Wettzell and all components of motion from the ROMY ring near Munich. Finally, we present the current state of technology concerning portable rotation sensors and discuss the relevance to planetary seismology.

Molecular imaging of rheumatoid arthritis: emerging markers, tools, and techniques

PubMed Central

2014-01-01

Early diagnosis and effective monitoring of rheumatoid arthritis (RA) are important for a positive outcome. Instant treatment often results in faster reduction of inflammation and, as a consequence, less structural damage. Anatomical imaging techniques have been in use for a long time, facilitating diagnosis and monitoring of RA. However, mere imaging of anatomical structures provides little information on the processes preceding changes in synovial tissue, cartilage, and bone. Molecular imaging might facilitate more effective diagnosis and monitoring in addition to providing new information on the disease pathogenesis. A limiting factor in the development of new molecular imaging techniques is the availability of suitable probes. Here, we review which cells and molecules can be targeted in the RA joint and discuss the advances that have been made in imaging of arthritis with a focus on such molecular targets as folate receptor, F4/80, macrophage mannose receptor, E-selectin, intercellular adhesion molecule-1, phosphatidylserine, and matrix metalloproteinases. In addition, we discuss a new tool that is being introduced in the field, namely the use of nanobodies as tracers. Finally, we describe additional molecules displaying specific features in joint inflammation and propose these as potential new molecular imaging targets, more specifically receptor activator of nuclear factor κB and its ligand, chemokine receptors, vascular cell adhesion molecule-1, αVβ3 integrin, P2X7 receptor, suppression of tumorigenicity 2, dendritic cell-specific transmembrane protein, and osteoclast-stimulatory transmembrane protein. PMID:25099015

Fast experiments for structure elucidation of small molecules: Hadamard NMR with multiple receivers.

PubMed

Gierth, Peter; Codina, Anna; Schumann, Frank; Kovacs, Helena; Kupče, Ēriks

2015-11-01

We propose several significant improvements to the PANSY (Parallel NMR SpectroscopY) experiments-PANSY COSY and PANSY-TOCSY. The improved versions of these experiments provide sufficient spectral information for structure elucidation of small organic molecules from just two 2D experiments. The PANSY-TOCSY-Q experiment has been modified to allow for simultaneous acquisition of three different types of NMR spectra-1D C-13 of non-protonated carbon sites, 2D TOCSY and multiplicity edited 2D HETCOR. In addition the J-filtered 2D PANSY-gCOSY experiment records a 2D HH gCOSY spectrum in parallel with a (1) J-filtered HC long-range HETCOR spectrum as well as offers a simplified data processing. In addition to parallel acquisition, further time savings are feasible because of significantly smaller F1 spectral windows as compared to the indirect detection experiments. Use of cryoprobes and multiple receivers can significantly alleviate the sensitivity issues that are usually associated with the so called direct detection experiments. In cases where experiments are sampling limited rather than sensitivity limited further reduction of experiment time is achieved by using Hadamard encoding. In favorable cases the total recording time for the two PANSY experiments can be reduced to just 40 s. The proposed PANSY experiments provide sufficient information to allow the CMCse software package (Bruker) to solve structures of small organic molecules. Copyright © 2015 John Wiley & Sons, Ltd.

Leveraging natural dynamical structures to explore multi-body systems

NASA Astrophysics Data System (ADS)

Bosanac, Natasha

Multi-body systems have become the target of an increasing number of mission concepts and observations, supplying further information about the composition, origin and dynamical environment of bodies within the solar system and beyond. In many of these scenarios, identification and characterization of the particular solutions that exist in a circular restricted three-body model is valuable. This insight into the underlying natural dynamical structures is achieved via the application of dynamical systems techniques. One application of such analysis is trajectory design for CubeSats, which are intended to explore cislunar space and other planetary systems. These increasingly complex mission objectives necessitate innovative trajectory design strategies for spacecraft within our solar system, as well as the capability for rapid and well-informed redesign. Accordingly, a trajectory design framework is constructed using dynamical systems techniques and demonstrated for the Lunar IceCube mission. An additional application explored in this investigation involves the motion of an exoplanet near a binary star system. Due to the strong gravitational field near a binary star, physicists have previously leveraged these systems as testbeds for examining the validity of gravitational and relativistic theories. In this investigation, a preliminary analysis into the effect of an additional three-body interaction on the dynamical environment near a large mass ratio binary system is conducted. As demonstrated through both of these sample applications, identification and characterization of the natural particular solutions that exist within a multi-body system supports a well-informed and guided analysis.

Structural Characterization by Cross-linking Reveals the Detailed Architecture of a Coatomer-related Heptameric Module from the Nuclear Pore Complex*

PubMed Central

Shi, Yi; Fernandez-Martinez, Javier; Tjioe, Elina; Pellarin, Riccardo; Kim, Seung Joong; Williams, Rosemary; Schneidman-Duhovny, Dina; Sali, Andrej; Rout, Michael P.; Chait, Brian T.

2014-01-01

Most cellular processes are orchestrated by macromolecular complexes. However, structural elucidation of these endogenous complexes can be challenging because they frequently contain large numbers of proteins, are compositionally and morphologically heterogeneous, can be dynamic, and are often of low abundance in the cell. Here, we present a strategy for the structural characterization of such complexes that has at its center chemical cross-linking with mass spectrometric readout. In this strategy, we isolate the endogenous complexes using a highly optimized sample preparation protocol and generate a comprehensive, high-quality cross-linking dataset using two complementary cross-linking reagents. We then determine the structure of the complex using a refined integrative method that combines the cross-linking data with information generated from other sources, including electron microscopy, X-ray crystallography, and comparative protein structure modeling. We applied this integrative strategy to determine the structure of the native Nup84 complex, a stable hetero-heptameric assembly (∼600 kDa), 16 copies of which form the outer rings of the 50-MDa nuclear pore complex (NPC) in budding yeast. The unprecedented detail of the Nup84 complex structure reveals previously unseen features in its pentameric structural hub and provides information on the conformational flexibility of the assembly. These additional details further support and augment the protocoatomer hypothesis, which proposes an evolutionary relationship between vesicle coating complexes and the NPC, and indicates a conserved mechanism by which the NPC is anchored in the nuclear envelope. PMID:25161197

Fold independent structural comparisons of protein-ligand binding sites for exploring functional relationships.

PubMed

Gold, Nicola D; Jackson, Richard M

2006-02-03

The rapid growth in protein structural data and the emergence of structural genomics projects have increased the need for automatic structure analysis and tools for function prediction. Small molecule recognition is critical to the function of many proteins; therefore, determination of ligand binding site similarity is important for understanding ligand interactions and may allow their functional classification. Here, we present a binding sites database (SitesBase) that given a known protein-ligand binding site allows rapid retrieval of other binding sites with similar structure independent of overall sequence or fold similarity. However, each match is also annotated with sequence similarity and fold information to aid interpretation of structure and functional similarity. Similarity in ligand binding sites can indicate common binding modes and recognition of similar molecules, allowing potential inference of function for an uncharacterised protein or providing additional evidence of common function where sequence or fold similarity is already known. Alternatively, the resource can provide valuable information for detailed studies of molecular recognition including structure-based ligand design and in understanding ligand cross-reactivity. Here, we show examples of atomic similarity between superfamily or more distant fold relatives as well as between seemingly unrelated proteins. Assignment of unclassified proteins to structural superfamiles is also undertaken and in most cases substantiates assignments made using sequence similarity. Correct assignment is also possible where sequence similarity fails to find significant matches, illustrating the potential use of binding site comparisons for newly determined proteins.

RNA and RNP as Building Blocks for Nanotechnology and Synthetic Biology.

PubMed

Ohno, Hirohisa; Saito, Hirohide

2016-01-01

Recent technologies that aimed to elucidate cellular function have revealed essential roles for RNA molecules in living systems. Our knowledge concerning functional and structural information of naturally occurring RNA and RNA-protein (RNP) complexes is increasing rapidly. RNA and RNP interaction motifs are structural units that function as building blocks to constitute variety of complex structures. RNA-central synthetic biology and nanotechnology are constructive approaches that employ the accumulated information and build synthetic RNA (RNP)-based circuits and nanostructures. Here, we describe how to design and construct synthetic RNA (RNP)-based devices and structures at the nanometer-scale for biological and future therapeutic applications. RNA/RNP nanostructures can also be utilized as the molecular scaffold to control the localization or interactions of target molecule(s). Moreover, RNA motifs recognized by RNA-binding proteins can be applied to make protein-responsive translational "switches" that can turn gene expression "on" or "off" depending on the intracellular environment. This "synthetic RNA and RNP world" will expand tools for nanotechnology and synthetic biology. In addition, these reconstructive approaches would lead to a greater understanding of building principle in naturally occurring RNA/RNP molecules and systems. Copyright © 2016 Elsevier Inc. All rights reserved.

A Four-Dimensional Probabilistic Atlas of the Human Brain

PubMed Central

Mazziotta, John; Toga, Arthur; Evans, Alan; Fox, Peter; Lancaster, Jack; Zilles, Karl; Woods, Roger; Paus, Tomas; Simpson, Gregory; Pike, Bruce; Holmes, Colin; Collins, Louis; Thompson, Paul; MacDonald, David; Iacoboni, Marco; Schormann, Thorsten; Amunts, Katrin; Palomero-Gallagher, Nicola; Geyer, Stefan; Parsons, Larry; Narr, Katherine; Kabani, Noor; Le Goualher, Georges; Feidler, Jordan; Smith, Kenneth; Boomsma, Dorret; Pol, Hilleke Hulshoff; Cannon, Tyrone; Kawashima, Ryuta; Mazoyer, Bernard

2001-01-01

The authors describe the development of a four-dimensional atlas and reference system that includes both macroscopic and microscopic information on structure and function of the human brain in persons between the ages of 18 and 90 years. Given the presumed large but previously unquantified degree of structural and functional variance among normal persons in the human population, the basis for this atlas and reference system is probabilistic. Through the efforts of the International Consortium for Brain Mapping (ICBM), 7,000 subjects will be included in the initial phase of database and atlas development. For each subject, detailed demographic, clinical, behavioral, and imaging information is being collected. In addition, 5,800 subjects will contribute DNA for the purpose of determining genotype– phenotype–behavioral correlations. The process of developing the strategies, algorithms, data collection methods, validation approaches, database structures, and distribution of results is described in this report. Examples of applications of the approach are described for the normal brain in both adults and children as well as in patients with schizophrenia. This project should provide new insights into the relationship between microscopic and macroscopic structure and function in the human brain and should have important implications in basic neuroscience, clinical diagnostics, and cerebral disorders. PMID:11522763

Earth-Affecting Solar Causes Observatory (EASCO): A Potential International Living with a Star Mission from Sun-Earth L5

NASA Technical Reports Server (NTRS)

Gopalswamy, N.; Davila, J. M.; St Cyr, O. C.; Sittler, E. C.; Auchere, F.; Duvall, Jr. T. L.; Hoeksema, J. T.; Maksimovic, M.; MacDowall, R. J.; Szabo, A.;

Natural Language Processing in Radiology: A Systematic Review.

PubMed

Pons, Ewoud; Braun, Loes M M; Hunink, M G Myriam; Kors, Jan A

2016-05-01

Radiological reporting has generated large quantities of digital content within the electronic health record, which is potentially a valuable source of information for improving clinical care and supporting research. Although radiology reports are stored for communication and documentation of diagnostic imaging, harnessing their potential requires efficient and automated information extraction: they exist mainly as free-text clinical narrative, from which it is a major challenge to obtain structured data. Natural language processing (NLP) provides techniques that aid the conversion of text into a structured representation, and thus enables computers to derive meaning from human (ie, natural language) input. Used on radiology reports, NLP techniques enable automatic identification and extraction of information. By exploring the various purposes for their use, this review examines how radiology benefits from NLP. A systematic literature search identified 67 relevant publications describing NLP methods that support practical applications in radiology. This review takes a close look at the individual studies in terms of tasks (ie, the extracted information), the NLP methodology and tools used, and their application purpose and performance results. Additionally, limitations, future challenges, and requirements for advancing NLP in radiology will be discussed. (©) RSNA, 2016 Online supplemental material is available for this article.

PDBe: Protein Data Bank in Europe

PubMed Central

Velankar, Sameer; Alhroub, Younes; Alili, Anaëlle; Best, Christoph; Boutselakis, Harry C.; Caboche, Ségolène; Conroy, Matthew J.; Dana, Jose M.; van Ginkel, Glen; Golovin, Adel; Gore, Swanand P.; Gutmanas, Aleksandras; Haslam, Pauline; Hirshberg, Miriam; John, Melford; Lagerstedt, Ingvar; Mir, Saqib; Newman, Laurence E.; Oldfield, Tom J.; Penkett, Chris J.; Pineda-Castillo, Jorge; Rinaldi, Luana; Sahni, Gaurav; Sawka, Grégoire; Sen, Sanchayita; Slowley, Robert; Sousa da Silva, Alan Wilter; Suarez-Uruena, Antonio; Swaminathan, G. Jawahar; Symmons, Martyn F.; Vranken, Wim F.; Wainwright, Michael; Kleywegt, Gerard J.

2011-01-01

The Protein Data Bank in Europe (PDBe; pdbe.org) is actively involved in managing the international archive of biomacromolecular structure data as one of the partners in the Worldwide Protein Data Bank (wwPDB; wwpdb.org). PDBe also develops new tools to make structural data more widely and more easily available to the biomedical community. PDBe has developed a browser to access and analyze the structural archive using classification systems that are familiar to chemists and biologists. The PDBe web pages that describe individual PDB entries have been enhanced through the introduction of plain-English summary pages and iconic representations of the contents of an entry (PDBprints). In addition, the information available for structures determined by means of NMR spectroscopy has been expanded. Finally, the entire web site has been redesigned to make it substantially easier to use for expert and novice users alike. PDBe works closely with other teams at the European Bioinformatics Institute (EBI) and in the international scientific community to develop new resources with value-added information. The SIFTS initiative is an example of such a collaboration—it provides extensive mapping data between proteins whose structures are available from the PDB and a host of other biomedical databases. SIFTS is widely used by major bioinformatics resources. PMID:21045060

Environmental Influences on Physical Activity among Rural Adults in Montana, United States: Views from Built Environment Audits, Resident Focus Groups, and Key Informant Interviews.

PubMed

Lo, Brian K; Morgan, Emily H; Folta, Sara C; Graham, Meredith L; Paul, Lynn C; Nelson, Miriam E; Jew, Nicolette V; Moffat, Laurel F; Seguin, Rebecca A

2017-10-04

Rural populations in the United States have lower physical activity levels and are at a higher risk of being overweight and suffering from obesity than their urban counterparts. This paper aimed to understand the environmental factors that influence physical activity among rural adults in Montana. Eight built environment audits, 15 resident focus groups, and 24 key informant interviews were conducted between August and December 2014. Themes were triangulated and summarized into five categories of environmental factors: built, social, organizational, policy, and natural environments. Although the existence of active living features was documented by environmental audits, residents and key informants agreed that additional indoor recreation facilities and more well-maintained and conveniently located options were needed. Residents and key informants also agreed on the importance of age-specific, well-promoted, and structured physical activity programs, offered in socially supportive environments, as facilitators to physical activity. Key informants, however, noted that funding constraints and limited political will were barriers to developing these opportunities. Since building new recreational facilities and structures to support active transportation pose resource challenges, especially for rural communities, our results suggest that enhancing existing features, making small improvements, and involving stakeholders in the city planning process would be more fruitful to build momentum towards larger changes.

Information flow in the auditory cortical network

PubMed Central

Hackett, Troy A.

2011-01-01

Auditory processing in the cerebral cortex is comprised of an interconnected network of auditory and auditory-related areas distributed throughout the forebrain. The nexus of auditory activity is located in temporal cortex among several specialized areas, or fields, that receive dense inputs from the medial geniculate complex. These areas are collectively referred to as auditory cortex. Auditory activity is extended beyond auditory cortex via connections with auditory-related areas elsewhere in the cortex. Within this network, information flows between areas to and from countless targets, but in a manner that is characterized by orderly regional, areal and laminar patterns. These patterns reflect some of the structural constraints that passively govern the flow of information at all levels of the network. In addition, the exchange of information within these circuits is dynamically regulated by intrinsic neurochemical properties of projecting neurons and their targets. This article begins with an overview of the principal circuits and how each is related to information flow along major axes of the network. The discussion then turns to a description of neurochemical gradients along these axes, highlighting recent work on glutamate transporters in the thalamocortical projections to auditory cortex. The article concludes with a brief discussion of relevant neurophysiological findings as they relate to structural gradients in the network. PMID:20116421

Sequence harmony: detecting functional specificity from alignments

PubMed Central

Feenstra, K. Anton; Pirovano, Walter; Krab, Klaas; Heringa, Jaap

2007-01-01

Multiple sequence alignments are often used for the identification of key specificity-determining residues within protein families. We present a web server implementation of the Sequence Harmony (SH) method previously introduced. SH accurately detects subfamily specific positions from a multiple alignment by scoring compositional differences between subfamilies, without imposing conservation. The SH web server allows a quick selection of subtype specific sites from a multiple alignment given a subfamily grouping. In addition, it allows the predicted sites to be directly mapped onto a protein structure and displayed. We demonstrate the use of the SH server using the family of plant mitochondrial alternative oxidases (AOX). In addition, we illustrate the usefulness of combining sequence and structural information by showing that the predicted sites are clustered into a few distinct regions in an AOX homology model. The SH web server can be accessed at www.ibi.vu.nl/programs/seqharmwww. PMID:17584793

The poly(C)-binding proteins: a multiplicity of functions and a search for mechanisms.

PubMed Central

Makeyev, Aleksandr V; Liebhaber, Stephen A

2002-01-01

The poly(C) binding proteins (PCBPs) are encoded at five dispersed loci in the mouse and human genomes. These proteins, which can be divided into two groups, hnRNPs K/J and the alphaCPs (alphaCP1-4), are linked by a common evolutionary history, a shared triple KH domain configuration, and by their poly(C) binding specificity. Given these conserved characteristics it is remarkable to find a substantial diversity in PCBP functions. The roles of these proteins in mRNA stabilization, translational activation, and translational silencing suggest a complex and diverse set of post-transcriptional control pathways. Their additional putative functions in transcriptional control and as structural components of important DNA-protein complexes further support their remarkable structural and functional versatility. Clearly the identification of additional binding targets and delineation of corresponding control mechanisms and effector pathways will establish highly informative models for further exploration. PMID:12003487

The poly(C)-binding proteins: a multiplicity of functions and a search for mechanisms.

PubMed

Makeyev, Aleksandr V; Liebhaber, Stephen A

2002-03-01

The poly(C) binding proteins (PCBPs) are encoded at five dispersed loci in the mouse and human genomes. These proteins, which can be divided into two groups, hnRNPs K/J and the alphaCPs (alphaCP1-4), are linked by a common evolutionary history, a shared triple KH domain configuration, and by their poly(C) binding specificity. Given these conserved characteristics it is remarkable to find a substantial diversity in PCBP functions. The roles of these proteins in mRNA stabilization, translational activation, and translational silencing suggest a complex and diverse set of post-transcriptional control pathways. Their additional putative functions in transcriptional control and as structural components of important DNA-protein complexes further support their remarkable structural and functional versatility. Clearly the identification of additional binding targets and delineation of corresponding control mechanisms and effector pathways will establish highly informative models for further exploration.

Real-space refinement in PHENIX for cryo-EM and crystallography

DOE PAGES

Afonine, Pavel V.; Poon, Billy K.; Read, Randy J.; ...

2018-06-01

This work describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime cost. Refinement of atomic models against low-resolution data benefits from the inclusion of as much additional information as is available. In addition to standard restraints on covalent geometry, phenix.real_space_refine makes use of extra information such as secondary-structure and rotamer-specific restraints, as well as restraints or constraints on internal molecular symmetry. The re-refinement ofmore » 385 cryo-EM-derived models available in the Protein Data Bank at resolutions of 6 Å or better shows significant improvement of the models and of the fit of these models to the target maps.« less

Real-space refinement in PHENIX for cryo-EM and crystallography

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

Afonine, Pavel V.; Poon, Billy K.; Read, Randy J.

This work describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime cost. Refinement of atomic models against low-resolution data benefits from the inclusion of as much additional information as is available. In addition to standard restraints on covalent geometry, phenix.real_space_refine makes use of extra information such as secondary-structure and rotamer-specific restraints, as well as restraints or constraints on internal molecular symmetry. The re-refinement ofmore » 385 cryo-EM-derived models available in the Protein Data Bank at resolutions of 6 Å or better shows significant improvement of the models and of the fit of these models to the target maps.« less

Physico-chemical behaviour of β irradiated plastic materials currently used as packagings and medical products

NASA Astrophysics Data System (ADS)

Yagoubi, N.; Baillet, A.; Pellerin, F.; Ferrier, D.

1995-11-01

The combined chromatographic technics and thermal analysis constitute an informative methodology for studying the modifications which could occur following a radiotreatment of plastic material at different doses (25 to 100 kGy). Several plastic materials used as packagings (PVC, PE, PS) were investigated. SEC method coupled with UV and DDL detections was applied to document any changes in molecular weight distribution. Reticulation and scission were the main observed degradation phenomena. These structural modifications were supported by TGA data, while the DSC provided information on modifications in crystallinity. In addition, RP-HPLC was carried out for the evaluation of the radiochemical behaviour of the additives and monomers. Firstly we demonstrated the degradation of high molecular weight phenolic antioxidants in BHT within the PEVA. Secondly, the modifications of amino 6 caproic acid and ɛ caprolactam, present in polyamid 6, depend on the irradiation doses.

How to retrieve additional information from the multiplicity distributions

NASA Astrophysics Data System (ADS)

Wilk, Grzegorz; Włodarczyk, Zbigniew

2017-01-01

Multiplicity distributions (MDs) P(N) measured in multiparticle production processes are most frequently described by the negative binomial distribution (NBD). However, with increasing collision energy some systematic discrepancies have become more and more apparent. They are usually attributed to the possible multi-source structure of the production process and described using a multi-NBD form of the MD. We investigate the possibility of keeping a single NBD but with its parameters depending on the multiplicity N. This is done by modifying the widely known clan model of particle production leading to the NBD form of P(N). This is then confronted with the approach based on the so-called cascade-stochastic formalism which is based on different types of recurrence relations defining P(N). We demonstrate that a combination of both approaches allows the retrieval of additional valuable information from the MDs, namely the oscillatory behavior of the counting statistics apparently visible in the high energy data.

Mishaps with Oxygen in NASA Operations

NASA Technical Reports Server (NTRS)

Ordin, Paul M.

1971-01-01

Data from a substantial number of oxygen mishaps obtained from NASA and contractor records are presented. Information from several Air Force records, concerning oxygen accidents involving aircraft operations, are also included. Descriptions of the mishaps and their causes, for both liquid and gaseous oxygen in ground test facilities and space vehicle systems, are given. A number of safety regulations aimed at reducing the accident probability is discussed. The problems related to material compatibility and materials testing are considered, and the limited information on factors affecting the ignition of materials in oxygen is presented. In addition, details are given of several of the accident/incidents listed in order to define the combination of conditions causing the mishap. In addition to propellant system mishaps, accident/incidents which occurred in space and ground system structures were included, as well as those in electrical systems, ground support facilities, ordnance, and related operations.

Designing and Implementing a Retrospective Earthquake Detection Framework at the U.S. Geological Survey National Earthquake Information Center

NASA Astrophysics Data System (ADS)

Patton, J.; Yeck, W.; Benz, H.

2017-12-01

The U.S. Geological Survey National Earthquake Information Center (USGS NEIC) is implementing and integrating new signal detection methods such as subspace correlation, continuous beamforming, multi-band picking and automatic phase identification into near-real-time monitoring operations. Leveraging the additional information from these techniques help the NEIC utilize a large and varied network on local to global scales. The NEIC is developing an ordered, rapid, robust, and decentralized framework for distributing seismic detection data as well as a set of formalized formatting standards. These frameworks and standards enable the NEIC to implement a seismic event detection framework that supports basic tasks, including automatic arrival time picking, social media based event detections, and automatic association of different seismic detection data into seismic earthquake events. In addition, this framework enables retrospective detection processing such as automated S-wave arrival time picking given a detected event, discrimination and classification of detected events by type, back-azimuth and slowness calculations, and ensuring aftershock and induced sequence detection completeness. These processes and infrastructure improve the NEIC's capabilities, accuracy, and speed of response. In addition, this same infrastructure provides an improved and convenient structure to support access to automatic detection data for both research and algorithmic development.

A polymer dataset for accelerated property prediction and design.

PubMed

Huan, Tran Doan; Mannodi-Kanakkithodi, Arun; Kim, Chiho; Sharma, Vinit; Pilania, Ghanshyam; Ramprasad, Rampi

2016-03-01

Emerging computation- and data-driven approaches are particularly useful for rationally designing materials with targeted properties. Generally, these approaches rely on identifying structure-property relationships by learning from a dataset of sufficiently large number of relevant materials. The learned information can then be used to predict the properties of materials not already in the dataset, thus accelerating the materials design. Herein, we develop a dataset of 1,073 polymers and related materials and make it available at http://khazana.uconn.edu/. This dataset is uniformly prepared using first-principles calculations with structures obtained either from other sources or by using structure search methods. Because the immediate target of this work is to assist the design of high dielectric constant polymers, it is initially designed to include the optimized structures, atomization energies, band gaps, and dielectric constants. It will be progressively expanded by accumulating new materials and including additional properties calculated for the optimized structures provided.

GIS Application Management for Disabled People

NASA Astrophysics Data System (ADS)

Tongkaw, Sasalak

2017-08-01

This research aimed to develop and design Geographical Information Systems (GIS) for facilitating disabled people by presenting some useful disabled information on the Google Map. The map could provide information about disabled types of people such as blind, deaf and physical movement. This research employed the Multiview 2 theory and method to plan and find out the problems in real world situation. This research used many designing data structure methods such as Data Flow Diagram, and ER-Diagram. The research focused into two parts: server site and client site which included the interface for Web-based application. The clear information of disable people on the map was useful for facilitating disabled people to find some useful information. In addition, it provided specialized data for company and government officers for managing and planning local facilities for disabled people in the cities. The disable could access the system through the Internet access at any time by using mobile or portable devices.

Changes in the Structure and Function of Microbial Communities in Drinking Water Treatment Bioreactors upon Addition of Phosphorus▿ †

PubMed Central

Li, Xu; Upadhyaya, Giridhar; Yuen, Wangki; Brown, Jess; Morgenroth, Eberhard; Raskin, Lutgarde

2010-01-01

Phosphorus was added as a nutrient to bench-scale and pilot-scale biologically active carbon (BAC) reactors operated for perchlorate and nitrate removal from contaminated groundwater. The two bioreactors responded similarly to phosphorus addition in terms of microbial community function (i.e., reactor performance), while drastically different responses in microbial community structure were detected. Improvement in reactor performance with respect to perchlorate and nitrate removal started within a few days after phosphorus addition for both reactors. Microbial community structures were evaluated using molecular techniques targeting 16S rRNA genes. Clone library results showed that the relative abundance of perchlorate-reducing bacteria (PRB) Dechloromonas and Azospira in the bench-scale reactor increased from 15.2% and 0.6% to 54.2% and 11.7% after phosphorus addition, respectively. Real-time quantitative PCR (qPCR) experiments revealed that these increases started within a few days after phosphorus addition. In contrast, after phosphorus addition, the relative abundance of Dechloromonas in the pilot-scale reactor decreased from 7.1 to 0.6%, while Zoogloea increased from 17.9 to 52.0%. The results of this study demonstrated that similar operating conditions for bench-scale and pilot-scale reactors resulted in similar contaminant removal performances, despite dramatically different responses from microbial communities. These findings suggest that it is important to evaluate the microbial community compositions inside bioreactors used for drinking water treatment, as they determine the microbial composition in the effluent and impact downstream treatment requirements for drinking water production. This information could be particularly relevant to drinking water safety, if pathogens or disinfectant-resistant bacteria are detected in the bioreactors. PMID:20889793

Biofouling community composition across a range of environmental conditions and geographical locations suitable for floating marine renewable energy generation.

PubMed

Macleod, Adrian K; Stanley, Michele S; Day, John G; Cook, Elizabeth J

2016-01-01

Knowledge of biofouling typical of marine structures is essential for engineers to define appropriate loading criteria in addition to informing other stakeholders about the ecological implications of creating novel artificial environments. There is a lack of information regarding biofouling community composition (including weight and density characteristics) on floating structures associated with future marine renewable energy generation technologies. A network of navigation buoys were identified across a range of geographical areas, environmental conditions (tidal flow speed, temperature and salinity), and deployment durations suitable for future developments. Despite the perceived importance of environmental and temporal factors, geographical location explained the greatest proportion of the observed variation in community composition, emphasising the importance of considering geography when assessing the impact of biofouling on device functioning and associated ecology. The principal taxa associated with variation in biofouling community composition were mussels (Mytilus edulis), which were also important when determining loading criteria.

ArachnoServer 3.0: an online resource for automated discovery, analysis and annotation of spider toxins.

PubMed

Pineda, Sandy S; Chaumeil, Pierre-Alain; Kunert, Anne; Kaas, Quentin; Thang, Mike W C; Le, Lien; Nuhn, Michael; Herzig, Volker; Saez, Natalie J; Cristofori-Armstrong, Ben; Anangi, Raveendra; Senff, Sebastian; Gorse, Dominique; King, Glenn F

2018-03-15

ArachnoServer is a manually curated database that consolidates information on the sequence, structure, function and pharmacology of spider-venom toxins. Although spider venoms are complex chemical arsenals, the primary constituents are small disulfide-bridged peptides that target neuronal ion channels and receptors. Due to their high potency and selectivity, these peptides have been developed as pharmacological tools, bioinsecticides and drug leads. A new version of ArachnoServer (v3.0) has been developed that includes a bioinformatics pipeline for automated detection and analysis of peptide toxin transcripts in assembled venom-gland transcriptomes. ArachnoServer v3.0 was updated with the latest sequence, structure and functional data, the search-by-mass feature has been enhanced, and toxin cards provide additional information about each mature toxin. http://arachnoserver.org. support@arachnoserver.org. Supplementary data are available at Bioinformatics online.

Visual space under free viewing conditions.

PubMed

Doumen, Michelle J A; Kappers, Astrid M L; Koenderink, Jan J

2005-10-01

Most research on visual space has been done under restricted viewing conditions and in reduced environments. In our experiments, observers performed an exocentric pointing task, a collinearity task, and a parallelity task in a entirely visible room. We varied the relative distances between the objects and the observer and the separation angle between the two objects. We were able to compare our data directly with data from experiments in an environment with less monocular depth information present. We expected that in a richer environment and under less restrictive viewing conditions, the settings would deviate less from the veridical settings. However, large systematic deviations from veridical settings were found for all three tasks. The structure of these deviations was task dependent, and the structure and the deviations themselves were comparable to those obtained under more restricted circumstances. Thus, the additional information was not used effectively by the observers.

Testing of the masonry arches of the Brooklyn Bridge approaches

NASA Astrophysics Data System (ADS)

Limaye, Hemant S.

1996-11-01

Diagnostic procedures play an important role in performing a condition survey of a structure. Specialized tests are used during a field survey to supplement visual observations. The tests provide valuable information regarding the internal condition of the structure and quality of the construction materials. The tests also help in determining the extent of damage, if any. Recently, a team of consulting engineers performed a study to determine the remaining capacity of the Brooklyn Bridge approaches for the Department of Transportation, City of New York. Using advanced diagnostic procedures such as impact-echo and flatjack testing, additional information was gathered to assist in the study. Impact-echo testing was helpful in identifying the condition of the brick soffits which were covered with pneumatically- applied concrete, and flatjack testing was useful in determining in-situ compressive strength and compression modulus of the brick masonry. The paper describes the work and the testing results.

Development of knowledge base of intellectual system for support of formal and informal training of IT staff

NASA Astrophysics Data System (ADS)

Kurvaeva, L. V.; Gavrilova, I. V.; Mahmutova, M. V.; Chichilanova, S. A.; Povituhin, S. A.

2018-05-01

The choice of educational digital content, according to education goals (descriptors which are formed by competences, labor functions, etc.), becomes an important practical task because of the variety of existing educational online systems that is available to persons within formal, informal IT education formats. Ontologies can form a basis for working out knowledge bases, which are center of intellectual system support in IT specialist training. The paper describes a technology of ontological model creation; analyzes the structure and the content of basic data. The structure of knowledge interrelation of the considered subject and IT education is considered. This knowledge base is applied for solving tasks of educational and methodical supplementation of educational programs of the higher and additional professional education, corporate training; for creating systems of certification and testing for students and practicing experts; for forming individual trajectories of training and career development.

[Information transmission to the community pharmacist after a patient's discharge from the hospital: setting up of a written medication discharge form, prospective evaluation of its impact, and survey of the information needs of the pharmacists].

PubMed

Claeys, C; Dufrasne, M; De Vriese, C; Nève, J; Tulkens, P M; Spinewine, A

2015-03-01

Discharge from the hospital is a period at risk for the continuity of patient's medication (seamless pharmaceutical care). The community pharmacist is often the first health care professional seen by the patient after hospital discharge. The clinical pharmacist has potentially a key role in establishing an efficient information transfer from the hospital to the community pharmacy. (1) To develop and, (2) to evaluate the impact of a structured discharge medication form prepared at hospital discharge by the clinical pharmacist and containing information items related to the medication regimen for the community pharmacist, and (3) to survey the information needs of the Belgian community pharmacists to ensure continuity of care after hospitalization. (1) A structured discharge medication form has been developed based on a Literature review and on opinions expressed by community and clinical pharmacists, members of the Belgian Pharmaceutical Union (Association Pharmaceutique Belge) and an ethical committee. (2) A prospective study has been conducted with patients from geriatrics and orthopaedics wards of the University Hospital Dinant-Godinne returning home after hospital discharge with the discharge medication form to be given to their commuiity pharmacist; its use, the reasons for non-use, the perceived impact and the satisfaction of the community pharmacist have been assessed. (3) An on-line survey addressed to all Belgian community pharmacists evaluated their information needs. (1) The final version of the discharge medication form included key information items concerning the hospital, the patient, the discharge treatment (including the type of modifications made as compared to medications taken before admission), and on medication management at home. Some items were excluded because of Lack of perceived utility by pharmacists, confidentiality issues, and respect of patient's freedom of choice. (2) From the 71 medication forms given to patients, 48 were received by the community pharmacist. One quarter of respondents stated that they did not use the form, the main reason being that it was received after dispensing of the discharge treatment (n=6/11). The majority of the community pharmacists considered most of the information items as useful and the discharge medication form as being valuable for continuity of care. Requests for additional information were made (e.g., reason of admission and of treatment modifications, etc.). (3) The utility, benefits, and need for additional information items beyond what was included in the discharge medication form were highlighted by the respondents (n=309) of the national survey. Most of these respondents confirmed the value of the different information items included in the discharge medication form. The transmission of a structured medication form containing information about the medication regimen upon hospital discharge is of real interest and value for the community pharmacist because it goes beyond what is usually provided on a medical prescription. However, this discharge medication form should include more information items for effective pharmaceutical care.

Health Monitoring for Airframe Structural Characterization

NASA Technical Reports Server (NTRS)

Munns, Thomas E.; Kent, Renee M.; Bartolini, Antony; Gause, Charles B.; Borinski, Jason W.; Dietz, Jason; Elster, Jennifer L.; Boyd, Clark; Vicari, Larry; Ray, Asok;

Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1

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

Lewis-Ballester, Ariel; Pham, Khoa N.; Batabyal, Dipanwita

Human indoleamine 2,3-dioxygenase 1 (hIDO1) is an attractive cancer immunotherapeutic target owing to its role in promoting tumoral immune escape. However, drug development has been hindered by limited structural information. Here, we report the crystal structures of hIDO1 in complex with its substrate, Trp, an inhibitor, epacadostat, and/or an effector, indole ethanol (IDE). The data reveal structural features of the active site (Sa) critical for substrate activation; in addition, they disclose a new inhibitor-binding mode and a distinct small molecule binding site (Si). Structure-guided mutation of a critical residue, F270, to glycine perturbs the Si site, allowing structural determination ofmore » an inhibitory complex, where both the Sa and Si sites are occupied by Trp. The Si site offers a novel target site for allosteric inhibitors and a molecular explanation for the previously baffling substrate-inhibition behavior of the enzyme. Taken together, the data open exciting new avenues for structure-based drug design.« less

From Principal Component to Direct Coupling Analysis of Coevolution in Proteins: Low-Eigenvalue Modes are Needed for Structure Prediction

PubMed Central

Cocco, Simona; Monasson, Remi; Weigt, Martin

2013-01-01

Various approaches have explored the covariation of residues in multiple-sequence alignments of homologous proteins to extract functional and structural information. Among those are principal component analysis (PCA), which identifies the most correlated groups of residues, and direct coupling analysis (DCA), a global inference method based on the maximum entropy principle, which aims at predicting residue-residue contacts. In this paper, inspired by the statistical physics of disordered systems, we introduce the Hopfield-Potts model to naturally interpolate between these two approaches. The Hopfield-Potts model allows us to identify relevant ‘patterns’ of residues from the knowledge of the eigenmodes and eigenvalues of the residue-residue correlation matrix. We show how the computation of such statistical patterns makes it possible to accurately predict residue-residue contacts with a much smaller number of parameters than DCA. This dimensional reduction allows us to avoid overfitting and to extract contact information from multiple-sequence alignments of reduced size. In addition, we show that low-eigenvalue correlation modes, discarded by PCA, are important to recover structural information: the corresponding patterns are highly localized, that is, they are concentrated in few sites, which we find to be in close contact in the three-dimensional protein fold. PMID:23990764

Database for the geologic map of the Sauk River 30-minute by 60-minute quadrangle, Washington (I-2592)

USGS Publications Warehouse

Tabor, R.W.; Booth, D.B.; Vance, J.A.; Ford, A.B.

2006-01-01

This digital map database has been prepared by R.W. Tabor from the published Geologic map of the Sauk River 30- by 60 Minute Quadrangle, Washington. Together with the accompanying text files as PDF, it provides information on the geologic structure and stratigraphy of the area covered. The database delineates map units that are identified by general age and lithology following the stratigraphic nomenclature of the U.S. Geological Survey. The authors mapped most of the bedrock geology at 1:100,000 scale, but compiled most Quaternary units at 1:24,000 scale. The Quaternary contacts and structural data have been much simplified for the 1:100,000-scale map and database. The spatial resolution (scale) of the database is 1:100,000 or smaller. This database depicts the distribution of geologic materials and structures at a regional (1:100,000) scale. The report is intended to provide geologic information for the regional study of materials properties, earthquake shaking, landslide potential, mineral hazards, seismic velocity, and earthquake faults. In addition, the report contains information and interpretations about the regional geologic history and framework. However, the regional scale of this report does not provide sufficient detail for site development purposes.

Electron Detachment Dissociation of Underivatized Chloride-Adducted Oligosaccharides

NASA Astrophysics Data System (ADS)

Kornacki, James R.; Adamson, Julie T.; Håkansson, Kristina

2012-11-01

Chloride anion attachment has previously been shown to aid determination of saccharide anomeric configuration and generation of linkage information in negative ion post-source decay MALDI tandem mass spectrometry. Here, we employ electron detachment dissociation (EDD) and collision activated dissociation (CAD) for the structural characterization of underivatized oligosaccharides bearing a chloride ion adduct. Both neutral and sialylated oligosaccharides are examined, including maltoheptaose, an asialo biantennary glycan (NA2), disialylacto- N-tetraose (DSLNT), and two LS tetrasaccharides (LSTa and LSTb). Gas-phase chloride-adducted species are generated by negative ion mode electrospray ionization. EDD and CAD spectra of chloride-adducted oligosaccharides are compared to the corresponding spectra for doubly deprotonated species not containing a chloride anion to assess the role of chloride adduction in the stimulation of alternative fragmentation pathways and altered charge locations allowing detection of additional product ions. In all cases, EDD of singly chloridated and singly deprotonated species resulted in an increase in observed cross-ring cleavages, which are essential to providing saccharide linkage information. Glycosidic cleavages also increased in EDD of chloride-adducted oligosaccharides to reveal complementary structural information compared to traditional (non-chloride-assisted) EDD and CAD. Results indicate that chloride adduction is of interest in alternative anion activation methods such as EDD for oligosaccharide structural characterization.

Exploring Maps with Greedy Navigators

NASA Astrophysics Data System (ADS)

Lee, Sang Hoon; Holme, Petter

2012-03-01

During the last decade of network research focusing on structural and dynamical properties of networks, the role of network users has been more or less underestimated from the bird’s-eye view of global perspective. In this era of global positioning system equipped smartphones, however, a user’s ability to access local geometric information and find efficient pathways on networks plays a crucial role, rather than the globally optimal pathways. We present a simple greedy spatial navigation strategy as a probe to explore spatial networks. These greedy navigators use directional information in every move they take, without being trapped in a dead end based on their memory about previous routes. We suggest that the centralities measures have to be modified to incorporate the navigators’ behavior, and present the intriguing effect of navigators’ greediness where removing some edges may actually enhance the routing efficiency, which is reminiscent of Braess’s paradox. In addition, using samples of road structures in large cities around the world, it is shown that the navigability measure we define reflects unique structural properties, which are not easy to predict from other topological characteristics. In this respect, we believe that our routing scheme significantly moves the routing problem on networks one step closer to reality, incorporating the inevitable incompleteness of navigators’ information.

The Human Brainnetome Atlas: A New Brain Atlas Based on Connectional Architecture.

PubMed

Fan, Lingzhong; Li, Hai; Zhuo, Junjie; Zhang, Yu; Wang, Jiaojian; Chen, Liangfu; Yang, Zhengyi; Chu, Congying; Xie, Sangma; Laird, Angela R; Fox, Peter T; Eickhoff, Simon B; Yu, Chunshui; Jiang, Tianzi

2016-08-01

The human brain atlases that allow correlating brain anatomy with psychological and cognitive functions are in transition from ex vivo histology-based printed atlases to digital brain maps providing multimodal in vivo information. Many current human brain atlases cover only specific structures, lack fine-grained parcellations, and fail to provide functionally important connectivity information. Using noninvasive multimodal neuroimaging techniques, we designed a connectivity-based parcellation framework that identifies the subdivisions of the entire human brain, revealing the in vivo connectivity architecture. The resulting human Brainnetome Atlas, with 210 cortical and 36 subcortical subregions, provides a fine-grained, cross-validated atlas and contains information on both anatomical and functional connections. Additionally, we further mapped the delineated structures to mental processes by reference to the BrainMap database. It thus provides an objective and stable starting point from which to explore the complex relationships between structure, connectivity, and function, and eventually improves understanding of how the human brain works. The human Brainnetome Atlas will be made freely available for download at http://atlas.brainnetome.org, so that whole brain parcellations, connections, and functional data will be readily available for researchers to use in their investigations into healthy and pathological states. © The Author 2016. Published by Oxford University Press.

Morphologic features of basal cell carcinoma using the en-face mode in frequency domain optical coherence tomography.

PubMed

von Braunmühl, T; Hartmann, D; Tietze, J K; Cekovic, D; Kunte, C; Ruzicka, T; Berking, C; Sattler, E C

2016-11-01

Optical coherence tomography (OCT) has become a valuable non-invasive tool in the in vivo diagnosis of non-melanoma skin cancer, especially of basal cell carcinoma (BCC). Due to an updated software-supported algorithm, a new en-face mode - similar to the horizontal en-face mode in high-definition OCT and reflectance confocal microscopy - surface-parallel imaging is possible which, in combination with the established slice mode of frequency domain (FD-)OCT, may offer additional information in the diagnosis of BCC. To define characteristic morphologic features of BCC using the new en-face mode in addition to the conventional cross-sectional imaging mode for three-dimensional imaging of BCC in FD-OCT. A total of 33 BCC were examined preoperatively by imaging in en-face mode as well as cross-sectional mode in FD-OCT. Characteristic features were evaluated and correlated with histopathology findings. Features established in the cross-sectional imaging mode as well as additional features were present in the en-face mode of FD-OCT: lobulated structures (100%), dark peritumoral rim (75%), bright peritumoral stroma (96%), branching vessels (90%), compressed fibrous bundles between lobulated nests ('star shaped') (78%), and intranodular small bright dots (51%). These features were also evaluated according to the histopathological subtype. In the en-face mode, the lobulated structures with compressed fibrous bundles of the BCC were more distinct than in the slice mode. FD-OCT with a new depiction for horizontal and vertical imaging modes offers additional information in the diagnosis of BCC, especially in nodular BCC, and enhances the possibility of the evaluation of morphologic tumour features. © 2016 European Academy of Dermatology and Venereology.

FLUT - A program for aeroelastic stability analysis. [of aircraft structures in subsonic flow

NASA Technical Reports Server (NTRS)

Johnson, E. H.

1977-01-01

A computer program (FLUT) that can be used to evaluate the aeroelastic stability of aircraft structures in subsonic flow is described. The algorithm synthesizes data from a structural vibration analysis with an unsteady aerodynamics analysis and then performs a complex eigenvalue analysis to assess the system stability. The theoretical basis of the program is discussed with special emphasis placed on some innovative techniques which improve the efficiency of the analysis. User information needed to efficiently and successfully utilize the program is provided. In addition to identifying the required input, the flow of the program execution and some possible sources of difficulty are included. The use of the program is demonstrated with a listing of the input and output for a simple example.

ECE-imaging of the H-mode pedestal (invited).

PubMed

Tobias, B J; Austin, M E; Boom, J E; Burrell, K H; Classen, I G J; Domier, C W; Luhmann, N C; Nazikian, R; Snyder, P B

2012-10-01

A synthetic diagnostic has been developed that reproduces the highly structured electron cyclotron emission (ECE) spectrum radiated from the edge region of H-mode discharges. The modeled dependence on local perturbations of the equilibrium plasma pressure allows for interpretation of ECE data for diagnosis of local quantities. Forward modeling of the diagnostic response in this region allows for improved mapping of the observed fluctuations to flux surfaces within the plasma, allowing for the poloidal mode number of coherent structures to be resolved. In addition, other spectral features that are dependent on both T(e) and n(e) contain information about pedestal structure and the electron energy distribution of localized phenomena, such as edge filaments arising during edge-localized mode (ELM) activity.

Thalamic and cortical pathways supporting auditory processing

PubMed Central

Lee, Charles C.

2012-01-01

The neural processing of auditory information engages pathways that begin initially at the cochlea and that eventually reach forebrain structures. At these higher levels, the computations necessary for extracting auditory source and identity information rely on the neuroanatomical connections between the thalamus and cortex. Here, the general organization of these connections in the medial geniculate body (thalamus) and the auditory cortex is reviewed. In addition, we consider two models organizing the thalamocortical pathways of the non-tonotopic and multimodal auditory nuclei. Overall, the transfer of information to the cortex via the thalamocortical pathways is complemented by the numerous intracortical and corticocortical pathways. Although interrelated, the convergent interactions among thalamocortical, corticocortical, and commissural pathways enable the computations necessary for the emergence of higher auditory perception. PMID:22728130

Problem decomposition by mutual information and force-based clustering

NASA Astrophysics Data System (ADS)

Otero, Richard Edward

The scale of engineering problems has sharply increased over the last twenty years. Larger coupled systems, increasing complexity, and limited resources create a need for methods that automatically decompose problems into manageable sub-problems by discovering and leveraging problem structure. The ability to learn the coupling (inter-dependence) structure and reorganize the original problem could lead to large reductions in the time to analyze complex problems. Such decomposition methods could also provide engineering insight on the fundamental physics driving problem solution. This work forwards the current state of the art in engineering decomposition through the application of techniques originally developed within computer science and information theory. The work describes the current state of automatic problem decomposition in engineering and utilizes several promising ideas to advance the state of the practice. Mutual information is a novel metric for data dependence and works on both continuous and discrete data. Mutual information can measure both the linear and non-linear dependence between variables without the limitations of linear dependence measured through covariance. Mutual information is also able to handle data that does not have derivative information, unlike other metrics that require it. The value of mutual information to engineering design work is demonstrated on a planetary entry problem. This study utilizes a novel tool developed in this work for planetary entry system synthesis. A graphical method, force-based clustering, is used to discover related sub-graph structure as a function of problem structure and links ranked by their mutual information. This method does not require the stochastic use of neural networks and could be used with any link ranking method currently utilized in the field. Application of this method is demonstrated on a large, coupled low-thrust trajectory problem. Mutual information also serves as the basis for an alternative global optimizer, called MIMIC, which is unrelated to Genetic Algorithms. Advancement to the current practice demonstrates the use of MIMIC as a global method that explicitly models problem structure with mutual information, providing an alternate method for globally searching multi-modal domains. By leveraging discovered problem inter- dependencies, MIMIC may be appropriate for highly coupled problems or those with large function evaluation cost. This work introduces a useful addition to the MIMIC algorithm that enables its use on continuous input variables. By leveraging automatic decision tree generation methods from Machine Learning and a set of randomly generated test problems, decision trees for which method to apply are also created, quantifying decomposition performance over a large region of the design space.

Structure-informed insights for NLR functioning in plant immunity.

PubMed

Sukarta, Octavina C A; Slootweg, Erik J; Goverse, Aska

2016-08-01

To respond to foreign invaders, plants have evolved a cell autonomous multilayered immune system consisting of extra- and intracellular immune receptors. Nucleotide binding and oligomerization domain (NOD)-like receptors (NLRs) mediate recognition of pathogen effectors inside the cell and trigger a host specific defense response, often involving controlled cell death. NLRs consist of a central nucleotide-binding domain, which is flanked by an N-terminal CC or TIR domain and a C-terminal leucine-rich repeat domain (LRR). These multidomain proteins function as a molecular switch and their activity is tightly controlled by intra and inter-molecular interactions. In contrast to metazoan NLRs, the structural basis underlying NLR functioning as a pathogen sensor and activator of immune responses in plants is largely unknown. However, the first crystal structures of a number of plant NLR domains were recently obtained. In addition, biochemical and structure-informed analyses revealed novel insights in the cooperation between NLR domains and the formation of pre- and post activation complexes, including the coordinated activity of NLR pairs as pathogen sensor and executor of immune responses. Moreover, the discovery of novel integrated domains underscores the structural diversity of NLRs and provides alternative models for how these immune receptors function in plants. In this review, we will highlight these recent advances to provide novel insights in the structural, biochemical and molecular aspects involved in plant NLR functioning. Copyright © 2016 Elsevier Ltd. All rights reserved.

A comparative overview of the sperm centriolar complex in mammals and birds: Variations on a theme.

PubMed

Soley, John T

2016-06-01

This paper presents an overview of the structure, function and anomalies of the sperm centriolar complex (CC) on a comparative basis between mammals and birds. The information is based on selected references from the literature supplemented by original observations on spermiogenesis and sperm structure in disparate mammalian (cheetah and cane rat) and avian (ostrich, rhea and emu) species. Whereas the basic structure of the CC (a diplosome surrounded by pericentriolar material) is similar in Aves and Mammalia, certain differences are apparent. Centriole reduction does not generally occur in birds, but when present as in oscines, involves the loss of the proximal centriole. In ratites, the distal centriole forms the core of the entire midpiece and incorporates the outer dense fibres in addition to initiating axoneme formation. The elements of the connecting piece are not segmented in birds and less complex in basic design than in mammals. The functions of the various components of the CC appear to be similar in birds and mammals. Despite obvious differences in sperm head shape, the centrosomal anomalies afflicting both vertebrate groups demonstrate structural uniformity across species and display a similar range of defects. Most abnormalities result from defective migration and alignment of the CC relative to the nucleus. The most severe manifestation is that of acephalic sperm, while angled tail attachment, abaxial and multiflagellate sperm reflect additional defective forms. The stump-tail defect is not observed in birds. A comparison of defective sperm formation and centrosomal dysfunction at the molecular level is currently difficult owing to the paucity of relevant information on avian sperm. Copyright © 2016 Elsevier B.V. All rights reserved.

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

Chang Jenghwa; Kowalski, Alex; Hou, Bob

The purpose of this work was to study the feasibility of incorporating functional magnetic resonance imaging (fMRI) information for intensity modulated radiotherapy (IMRT) treatment planning of brain tumors. Three glioma patients were retrospectively replanned for radiotherapy (RT) with additional fMRI information. The fMRI of each patient was acquired using a bilateral finger-tapping paradigm with a gradient echo EPI (Echo Planer Imaging) sequence. The fMRI data were processed using the Analysis of Functional Neuroimaging (AFNI) software package for determining activation volumes, and the volumes were fused with the simulation computed tomography (CT) scan. The actived pixels in left and right primarymore » motor cortexes (PMCs) were contoured as critical structures for IMRT planning. The goal of replanning was to minimize the RT dose to the activation volumes in the PMC regions, while maintaining a similar coverage to the planning target volume (PTV) and keeping critical structures within accepted dose tolerance. Dose-volume histograms of the treatment plans with and without considering the fMRI information were compared. Beam angles adjustment or additional beams were needed for 2 cases to meet the planning criteria. Mean dose to the contralateral and ipsilateral PMC was significantly reduced by 66% and 55%, respectively, for 1 patient. For the other 2 patients, mean dose to contralateral PMC region was lowered by 73% and 69%. In general, IMRT optimization can reduce the RT dose to the PMC regions without compromising the PTV coverage or sparing of other critical organs. In conclusion, it is feasible to incorporate the fMRI information into the RT treatment planning. IMRT planning allows a significant reduction in RT dose to the PMC regions, especially if the region does not lie within the PTV.« less

Role of information systems in public health services.

PubMed

Hartshorne, J E; Carstens, I L

1990-07-01

The purpose of this review is to establish a conceptual framework on the role of information systems in public health care. Information is indispensable for effective management and development of health services and therefore considered as an important operational asset or resource. A Health Information System is mainly required to support management and operations at four levels: namely transactional and functional; operational control; management planning and control; and strategic planning. To provide the necessary information needs of users at these levels of management in the health care system, a structured information system coupled with appropriate information technology is required. Adequate and relevant information is needed regarding population characteristics, resources available and expended, output and outcome of health care activities. Additionally information needs to be reliable, accurate, timely, easily accessible and presented in a compact and meaningful form. With a well-planned health information system health authorities would be in a position to provide a quality, cost-effective and efficient health service for as many people as need it, optimal utilisation of resources and to maintain and improve the community's health status.

Wireless AE Event and Environmental Monitoring for Wind Turbine Blades at Low Sampling Rates

NASA Astrophysics Data System (ADS)

Bouzid, Omar M.; Tian, Gui Y.; Cumanan, K.; Neasham, J.

Integration of acoustic wireless technology in structural health monitoring (SHM) applications introduces new challenges due to requirements of high sampling rates, additional communication bandwidth, memory space, and power resources. In order to circumvent these challenges, this chapter proposes a novel solution through building a wireless SHM technique in conjunction with acoustic emission (AE) with field deployment on the structure of a wind turbine. This solution requires a low sampling rate which is lower than the Nyquist rate. In addition, features extracted from aliased AE signals instead of reconstructing the original signals on-board the wireless nodes are exploited to monitor AE events, such as wind, rain, strong hail, and bird strike in different environmental conditions in conjunction with artificial AE sources. Time feature extraction algorithm, in addition to the principal component analysis (PCA) method, is used to extract and classify the relevant information, which in turn is used to classify or recognise a testing condition that is represented by the response signals. This proposed novel technique yields a significant data reduction during the monitoring process of wind turbine blades.

Report From BPTCS Project Team On Evaluation Of Additive Manufacturing For Pressure Retaining Equipment

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

Rawls, G.

ASME is evaluating the use of additive manufacturing (AM) for the construction of pressure equipment. The information in this report assesses available AM technologies for direct metal fabrication of pressure equipment. Background information is included in the report to provide context for those not experienced in AM technology. Only commercially available technologies for direct metal fabrication are addressed in the report because these AM methods are the only viable approaches for the construction of pressure equipment. Metal AM technologies can produce near-net shape parts by using multiple layers of material from a three dimensional (3D) design model of the geometry.more » Additive manufacturing of metal components was developed from polymer based rapid prototyping or 3D printing. At the current maturity level, AM application for pressure equipment has the potential to reduce delivery times and costs for complex shapes. AM will also lead to a reduction in the use of high cost materials, since parts can be created with corrosion resistant layers of high alloy material and structural layers of lower cost materials.« less

Expanding the Described Metabolome of the Marine Cyanobacterium Moorea producens JHB through Orthogonal Natural Products Workflows

PubMed Central

Boudreau, Paul D.; Monroe, Emily A.; Mehrotra, Suneet; Desfor, Shane; Korobeynikov, Anton; Sherman, David H.; Murray, Thomas F.; Gerwick, Lena; Dorrestein, Pieter C.; Gerwick, William H.

2015-01-01

Moorea producens JHB, a Jamaican strain of tropical filamentous marine cyanobacteria, has been extensively studied by traditional natural products techniques. These previous bioassay and structure guided isolations led to the discovery of two exciting classes of natural products, hectochlorin (1) and jamaicamides A (2) and B (3). In the current study, mass spectrometry-based ‘molecular networking’ was used to visualize the metabolome of Moorea producens JHB, and both guided and enhanced the isolation workflow, revealing additional metabolites in these compound classes. Further, we developed additional insight into the metabolic capabilities of this strain by genome sequencing analysis, which subsequently led to the isolation of a compound unrelated to the jamaicamide and hectochlorin families. Another approach involved stimulation of the biosynthesis of a minor jamaicamide metabolite by cultivation in modified media, and provided insights about the underlying biosynthetic machinery as well as preliminary structure-activity information within this structure class. This study demonstrated that these orthogonal approaches are complementary and enrich secondary metabolomic coverage even in an extensively studied bacterial strain. PMID:26222584

Structural origins of broadband emission from layered Pb–Br hybrid perovskites† †Electronic supplementary information (ESI) available. CCDC 1521053–1521055, 1521057–1521060 and 1521067. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc01590a Click here for additional data file. Click here for additional data file.

PubMed Central

Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron M.

2017-01-01

Through structural and optical studies of a series of two-dimensional hybrid perovskites, we show that broadband emission upon near-ultraviolet excitation is common to (001) lead-bromide perovskites. Importantly, we find that the relative intensity of the broad emission correlates with increasing out-of-plane distortion of the Pb–(μ-Br)–Pb angle in the inorganic sheets. Temperature- and power-dependent photoluminescence data obtained on a representative (001) perovskite support an intrinsic origin to the broad emission from the bulk material, where photogenerated carriers cause excited-state lattice distortions mediated through electron–lattice coupling. In contrast, most inorganic phosphors contain extrinsic emissive dopants or emissive surface sites. The design rules established here could allow us to systematically optimize white-light emission from layered hybrid perovskites by fine-tuning the bulk crystal structure. PMID:28970879

An Informal Overview of the Unitary Group Approach

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

Sonnad, V.; Escher, J.; Kruse, M.

The Unitary Groups Approach (UGA) is an elegant and conceptually unified approach to quantum structure calculations. It has been widely used in molecular structure calculations, and holds the promise of a single computational approach to structure calculations in a variety of different fields. We explore the possibility of extending the UGA to computations in atomic and nuclear structure as a simpler alternative to traditional Racah algebra-based approaches. We provide a simple introduction to the basic UGA and consider some of the issues in using the UGA with spin-dependent, multi-body Hamiltonians requiring multi-shell bases adapted to additional symmetries. While the UGAmore » is perfectly capable of dealing with such problems, it is seen that the complexity rises dramatically, and the UGA is not at this time, a simpler alternative to Racah algebra-based approaches.« less

[Renal Replacement Procedure: Information, Education, Documentation].

PubMed

Galle, Jan; Reitlinger, Jana

2018-06-01

In renal replacement therapy, different methods are available: hemodialysis (HD), peritoneal dialysis (PD), and kidney transplantation (KTx). In addition, variants can be used: HD as a home HD or center HD, PD as a conventional PD or automated (cycler) PD, KTx as a potentially short-term predictable living donation or conventional donor kidney donation. The patient and his familiar or caring environment must be informed accordingly. This means first of all: information about which procedures of kidney replacement therapy are possible and can be offered. Then the specific risks associated with each procedure should be elucidated (e. g. HD and shunt bleeding, PD and peritonitis, KTx and infections/neoplasias). This necessarily includes a structured documentation of the educating center/doctor about the communicated information and decisions taken. © Georg Thieme Verlag KG Stuttgart · New York.

In silico methods for co-transcriptional RNA secondary structure prediction and for investigating alternative RNA structure expression.

PubMed

Meyer, Irmtraud M

2017-05-01

RNA transcripts are the primary products of active genes in any living organism, including many viruses. Their cellular destiny not only depends on primary sequence signals, but can also be determined by RNA structure. Recent experimental evidence shows that many transcripts can be assigned more than a single functional RNA structure throughout their cellular life and that structure formation happens co-transcriptionally, i.e. as the transcript is synthesised in the cell. Moreover, functional RNA structures are not limited to non-coding transcripts, but can also feature in coding transcripts. The picture that now emerges is that RNA structures constitute an additional layer of information that can be encoded in any RNA transcript (and on top of other layers of information such as protein-context) in order to exert a wide range of functional roles. Moreover, different encoded RNA structures can be expressed at different stages of a transcript's life in order to alter the transcript's behaviour depending on its actual cellular context. Similar to the concept of alternative splicing for protein-coding genes, where a single transcript can yield different proteins depending on cellular context, it is thus appropriate to propose the notion of alternative RNA structure expression for any given transcript. This review introduces several computational strategies that my group developed to detect different aspects of RNA structure expression in vivo. Two aspects are of particular interest to us: (1) RNA secondary structure features that emerge during co-transcriptional folding and (2) functional RNA structure features that are expressed at different times of a transcript's life and potentially mutually exclusive. Copyright © 2017. Published by Elsevier Inc.

Predicting β-turns and their types using predicted backbone dihedral angles and secondary structures

PubMed Central

2010-01-01

Background β-turns are secondary structure elements usually classified as coil. Their prediction is important, because of their role in protein folding and their frequent occurrence in protein chains. Results We have developed a novel method that predicts β-turns and their types using information from multiple sequence alignments, predicted secondary structures and, for the first time, predicted dihedral angles. Our method uses support vector machines, a supervised classification technique, and is trained and tested on three established datasets of 426, 547 and 823 protein chains. We achieve a Matthews correlation coefficient of up to 0.49, when predicting the location of β-turns, the highest reported value to date. Moreover, the additional dihedral information improves the prediction of β-turn types I, II, IV, VIII and "non-specific", achieving correlation coefficients up to 0.39, 0.33, 0.27, 0.14 and 0.38, respectively. Our results are more accurate than other methods. Conclusions We have created an accurate predictor of β-turns and their types. Our method, called DEBT, is available online at http://comp.chem.nottingham.ac.uk/debt/. PMID:20673368

Predicting beta-turns and their types using predicted backbone dihedral angles and secondary structures.

PubMed

Kountouris, Petros; Hirst, Jonathan D

2010-07-31

Beta-turns are secondary structure elements usually classified as coil. Their prediction is important, because of their role in protein folding and their frequent occurrence in protein chains. We have developed a novel method that predicts beta-turns and their types using information from multiple sequence alignments, predicted secondary structures and, for the first time, predicted dihedral angles. Our method uses support vector machines, a supervised classification technique, and is trained and tested on three established datasets of 426, 547 and 823 protein chains. We achieve a Matthews correlation coefficient of up to 0.49, when predicting the location of beta-turns, the highest reported value to date. Moreover, the additional dihedral information improves the prediction of beta-turn types I, II, IV, VIII and "non-specific", achieving correlation coefficients up to 0.39, 0.33, 0.27, 0.14 and 0.38, respectively. Our results are more accurate than other methods. We have created an accurate predictor of beta-turns and their types. Our method, called DEBT, is available online at http://comp.chem.nottingham.ac.uk/debt/.

The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes.

PubMed

van Zundert, G C P; Rodrigues, J P G L M; Trellet, M; Schmitz, C; Kastritis, P L; Karaca, E; Melquiond, A S J; van Dijk, M; de Vries, S J; Bonvin, A M J J

2016-02-22

The prediction of the quaternary structure of biomolecular macromolecules is of paramount importance for fundamental understanding of cellular processes and drug design. In the era of integrative structural biology, one way of increasing the accuracy of modeling methods used to predict the structure of biomolecular complexes is to include as much experimental or predictive information as possible in the process. This has been at the core of our information-driven docking approach HADDOCK. We present here the updated version 2.2 of the HADDOCK portal, which offers new features such as support for mixed molecule types, additional experimental restraints and improved protocols, all of this in a user-friendly interface. With well over 6000 registered users and 108,000 jobs served, an increasing fraction of which on grid resources, we hope that this timely upgrade will help the community to solve important biological questions and further advance the field. The HADDOCK2.2 Web server is freely accessible to non-profit users at http://haddock.science.uu.nl/services/HADDOCK2.2. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Energetic Aspects of Non-Radial Solar-Like Oscillations in Red Giants

NASA Astrophysics Data System (ADS)

Dupret, Marc-Antoine; Belkacem, Kévin

The non-radial oscillations discovered by CoRoT (see e.g. de Ridder et al. (2009)) and by Kepler(see e.g. Bedding et al. (2010)) in thousands of red giants constitute a wonderful mine of information to determine their global characteristics and probe their internal structure. A. Miglio and J. Montalbán have presented in detail in this conference the seismic structure of red giants, the information hold by their oscillation frequencies, and how it can be used. An adiabatic analysis of the oscillations was sufficient at this level as the frequencies are mainly determined by the deep layers were the oscillatons are quasi-adiabatic. We consider here energetic aspects of non-radial oscillations in red-giants. Non-adiabatic models of solar-like oscillations are required to determine the theoretical amplitude and lifetimes of the modes. These parameters allow us to determine how power spectra are expected to look like, depending on the structure of the red giant. Comparison with the observed measures gives thus additional constraints on the models.

Risk maps for navigation in liver surgery

NASA Astrophysics Data System (ADS)

Hansen, C.; Zidowitz, S.; Schenk, A.; Oldhafer, K.-J.; Lang, H.; Peitgen, H.-O.

2010-02-01

The optimal transfer of preoperative planning data and risk evaluations to the operative site is challenging. A common practice is to use preoperative 3D planning models as a printout or as a presentation on a display. One important aspect is that these models were not developed to provide information in complex workspaces like the operating room. Our aim is to reduce the visual complexity of 3D planning models by mapping surgically relevant information onto a risk map. Therefore, we present methods for the identification and classification of critical anatomical structures in the proximity of a preoperatively planned resection surface. Shadow-like distance indicators are introduced to encode the distance from the resection surface to these critical structures on the risk map. In addition, contour lines are used to accentuate shape and spatial depth. The resulting visualization is clear and intuitive, allowing for a fast mental mapping of the current resection surface to the risk map. Preliminary evaluations by liver surgeons indicate that damage to risk structures may be prevented and patient safety may be enhanced using the proposed methods.

Mobile phones and social structures: an exploration of a closed user group in rural Ghana

PubMed Central

2013-01-01

Background In the Millennium Villages Project site of Bonsaaso, Ghana, the Health Team is using a mobile phone closed user group to place calls amongst one another at no cost. Methods In order to determine the utilization and acceptability of the closed user group amongst users, social network analysis and qualitative methods were used. Key informants were identified and interviewed. The key informants also kept prospective call journals. Billing statements and de-identified call data from the closed user group were used to generate data for analyzing the social structure revealed by the network traffic. Results The majority of communication within the closed user group was personal and not for professional purposes. The members of the CUG felt that the group improved their efficiency at work. Conclusions The methods used present an interesting way to investigate the social structure surrounding communication via mobile phones. In addition, the benefits identified from the exploration of this closed user group make a case for supporting mobile phone closed user groups amongst professional groups. PMID:24007331

An automated procedure for detection of IDP's dwellings using VHR satellite imagery

NASA Astrophysics Data System (ADS)

Jenerowicz, Malgorzata; Kemper, Thomas; Soille, Pierre

2011-11-01

This paper presents the results for the estimation of dwellings structures in Al Salam IDP Camp, Southern Darfur, based on Very High Resolution multispectral satellite images obtained by implementation of Mathematical Morphology analysis. A series of image processing procedures, feature extraction methods and textural analysis have been applied in order to provide reliable information about dwellings structures. One of the issues in this context is related to similarity of the spectral response of thatched dwellings' roofs and the surroundings in the IDP camps, where the exploitation of multispectral information is crucial. This study shows the advantage of automatic extraction approach and highlights the importance of detailed spatial and spectral information analysis based on multi-temporal dataset. The additional data fusion of high-resolution panchromatic band with lower resolution multispectral bands of WorldView-2 satellite has positive influence on results and thereby can be useful for humanitarian aid agency, providing support of decisions and estimations of population especially in situations when frequent revisits by space imaging system are the only possibility of continued monitoring.

Investigating polarized fluorescence emission of Napthalene Diimide polymer films via Stokes Spectroscopy

NASA Astrophysics Data System (ADS)

Ulrich, Steven; Sutch, Thabita; Schweizer, Matthias; Szulczewski, Greg; Barbosa Neto, Newton; Araujo, Paulo; Szulczewski's Group. Collaboration; Nanolab@UA Collaboration

Structural studies of materials, especially polymers, has been an area of growing interest in the past decades. This is due to the wide variety of physical, optical and chemical properties which can be tuned to obtain desired outcomes. Such polymers include P(NDI2OD-T2) an organic n-type, donor-acceptor polymer. Techniques to measure the structure, chemical and optical properties of these materials include XRD, time resolved spectroscopy and other timely and expensive methods. This work seeks to implement Stokes parameter analysis to create a new spectroscopic method, which can be implemented at a fraction of the cost and with relative ease. This technique, when used to probe P(NDI2OD-T2), has been able to discern information about polymer aggregate formation, energy transfer and out of plane stacking on the basis of solvent choice and sample thickness. Additionally, this technique gives information regarding the polarized emission from excited sources, which could provide insight for increased device performance. College of Arts and Sciences and Center for Information Technology, University of Alabama. CNPq Brazil Grant number 401453/2014-6.

Isomer Information from Ion Mobility Separation of High-Mannose Glycan Fragments

NASA Astrophysics Data System (ADS)

Harvey, David J.; Seabright, Gemma E.; Vasiljevic, Snezana; Crispin, Max; Struwe, Weston B.

2018-05-01

Extracted arrival time distributions of negative ion CID-derived fragments produced prior to traveling-wave ion mobility separation were evaluated for their ability to provide structural information on N-linked glycans. Fragmentation of high-mannose glycans released from several glycoproteins, including those from viral sources, provided over 50 fragments, many of which gave unique collisional cross-sections and provided additional information used to assign structural isomers. For example, cross-ring fragments arising from cleavage of the reducing terminal GlcNAc residue on Man8GlcNAc2 isomers have unique collision cross-sections enabling isomers to be differentiated in mixtures. Specific fragment collision cross-sections enabled identification of glycans, the antennae of which terminated in the antigenic α-galactose residue, and ions defining the composition of the 6-antenna of several of the glycans were also found to have different cross-sections from isomeric ions produced in the same spectra. Potential mechanisms for the formation of the various ions are discussed and the estimated collisional cross-sections are tabulated. [Figure not available: see fulltext.

MolTalk – a programming library for protein structures and structure analysis

PubMed Central

Diemand, Alexander V; Scheib, Holger

2004-01-01

Background Two of the mostly unsolved but increasingly urgent problems for modern biologists are a) to quickly and easily analyse protein structures and b) to comprehensively mine the wealth of information, which is distributed along with the 3D co-ordinates by the Protein Data Bank (PDB). Tools which address this issue need to be highly flexible and powerful but at the same time must be freely available and easy to learn. Results We present MolTalk, an elaborate programming language, which consists of the programming library libmoltalk implemented in Objective-C and the Smalltalk-based interpreter MolTalk. MolTalk combines the advantages of an easy to learn and programmable procedural scripting with the flexibility and power of a full programming language. An overview of currently available applications of MolTalk is given and with PDBChainSaw one such application is described in more detail. PDBChainSaw is a MolTalk-based parser and information extraction utility of PDB files. Weekly updates of the PDB are synchronised with PDBChainSaw and are available for free download from the MolTalk project page following the link to PDBChainSaw. For each chain in a protein structure, PDBChainSaw extracts the sequence from its co-ordinates and provides additional information from the PDB-file header section, such as scientific organism, compound name, and EC code. Conclusion MolTalk provides a rich set of methods to analyse and even modify experimentally determined or modelled protein structures. These methods vary in complexity and are thus suitable for beginners and advanced programmers alike. We envision MolTalk to be most valuable in the following applications: 1) To analyse protein structures repetitively in large-scale, i.e. to benchmark protein structure prediction methods or to evaluate structural models. The quality of the resulting 3D-models can be assessed by e.g. calculating a Ramachandran-Sasisekharan plot. 2) To quickly retrieve information for (a limited number of) macro-molecular structures, i.e. H-bonds, salt bridges, contacts between amino acids and ligands or at the interface between two chains. 3) To programme more complex structural bioinformatics software and to implement demanding algorithms through its portability to Objective-C, e.g. iMolTalk. 4) To be used as a front end to databases, e.g. PDBChainSaw. PMID:15096277

MolTalk--a programming library for protein structures and structure analysis.

PubMed

Diemand, Alexander V; Scheib, Holger

2004-04-19

Two of the mostly unsolved but increasingly urgent problems for modern biologists are a) to quickly and easily analyse protein structures and b) to comprehensively mine the wealth of information, which is distributed along with the 3D co-ordinates by the Protein Data Bank (PDB). Tools which address this issue need to be highly flexible and powerful but at the same time must be freely available and easy to learn. We present MolTalk, an elaborate programming language, which consists of the programming library libmoltalk implemented in Objective-C and the Smalltalk-based interpreter MolTalk. MolTalk combines the advantages of an easy to learn and programmable procedural scripting with the flexibility and power of a full programming language. An overview of currently available applications of MolTalk is given and with PDBChainSaw one such application is described in more detail. PDBChainSaw is a MolTalk-based parser and information extraction utility of PDB files. Weekly updates of the PDB are synchronised with PDBChainSaw and are available for free download from the MolTalk project page http://www.moltalk.org following the link to PDBChainSaw. For each chain in a protein structure, PDBChainSaw extracts the sequence from its co-ordinates and provides additional information from the PDB-file header section, such as scientific organism, compound name, and EC code. MolTalk provides a rich set of methods to analyse and even modify experimentally determined or modelled protein structures. These methods vary in complexity and are thus suitable for beginners and advanced programmers alike. We envision MolTalk to be most valuable in the following applications:1) To analyse protein structures repetitively in large-scale, i.e. to benchmark protein structure prediction methods or to evaluate structural models. The quality of the resulting 3D-models can be assessed by e.g. calculating a Ramachandran-Sasisekharan plot.2) To quickly retrieve information for (a limited number of) macro-molecular structures, i.e. H-bonds, salt bridges, contacts between amino acids and ligands or at the interface between two chains.3) To programme more complex structural bioinformatics software and to implement demanding algorithms through its portability to Objective-C, e.g. iMolTalk.4) To be used as a front end to databases, e.g. PDBChainSaw.

European Scientific Notes. Volume 36, Number 7,

DTIC Science & Technology

1982-07-31

services digital net- works, lierarhicel processing, of structural information in artificial intelligence. and human-machine interaction and digital...reduction in the rate of in those days were connected by "fossae" or growth and even the initiation of erosion along artificial channels. Thus littoral...fisher- Comacchio (see map) in the eighth century. men who would like to increase it. Additional The present Po delta is artificial in that conflicts

A Model for a Single Unmanned Aircraft Systems (UAS) Program Office Managing Joint ISR Capabilities

DTIC Science & Technology

2017-10-01

reduction in manning from the multiple program office structure to the new single program management model. Additional information regarding this...OFFICE MANAGING JOINT ISR CAPABILITIES by Angela E. Burris A Research Report Submitted to the Faculty In Partial Fulfillment of...research paper is to answer how a single management office could provide greater agility for unmanned aircraft systems (UAS); supporting Joint concepts

Quantum Dots Based Rad-Hard Computing and Sensors

NASA Technical Reports Server (NTRS)

Fijany, A.; Klimeck, G.; Leon, R.; Qiu, Y.; Toomarian, N.

2001-01-01

Quantum Dots (QDs) are solid-state structures made of semiconductors or metals that confine a small number of electrons into a small space. The confinement of electrons is achieved by the placement of some insulating material(s) around a central, well-conducting region. Thus, they can be viewed as artificial atoms. They therefore represent the ultimate limit of the semiconductor device scaling. Additional information is contained in the original extended abstract.

Identification of M-CSF agonists and antagonists

DOEpatents

Pandit, Jayvardhan [Mystic, CT; Jancarik, Jarmila [Walnut Creek, CA; Kim, Sung-Hou [Moraga, CA; Koths, Kirston [El Cerrito, CA; Halenbeck, Robert [San Rafael, CA; Fear, Anna Lisa [Oakland, CA; Taylor, Eric [Oakland, CA; Yamamoto, Ralph [Martinez, CA; Bohm, Andrew [Armonk, NY

2000-02-15

The present invention is directed to methods for crystallizing macrophage colony stimulating factor. The present invention is also directed to methods for designing and producing M-CSF agonists and antagonists using information derived from the crystallographic structure of M-CSF. The invention is also directed to methods for screening M-CSF agonists and antagonists. In addition, the present invention is directed to an isolated, purified, soluble and functional M-CSF receptor.

Semi-Markov Approach to the Shipping Safety Modelling

NASA Astrophysics Data System (ADS)

Guze, Sambor; Smolarek, Leszek

2012-02-01

In the paper the navigational safety model of a ship on the open area has been studied under conditions of incomplete information. Moreover the structure of semi-Markov processes is used to analyse the stochastic ship safety according to the subjective acceptance of risk by the navigator. In addition, the navigator’s behaviour can be analysed by using the numerical simulation to estimate the probability of collision in the safety model.

Deployable and Inflatable Fendering Apparatus and Method

DTIC Science & Technology

2009-09-25

for information should be addressed to: TECHNOLOGY PARTNERSHIP ENTERPRISE OFFICE NAVAL UNDERSEA WARFARE CENTER 117 6 HOWELL ST. CODE 07TP, BLDG...can result in impact and abrasion damage to a watercraft’s hull or other marine structures. [0005] Many types of watercraft fender designs ...cause inflation of the bladder, the same air also creates additional pressure maintaining the bladder coupled to the base. An air compressor and

Context and Content Aware Routing of Managed Information Objects

DTIC Science & Technology

2014-05-01

datatype . Siena, however, does not support incremental updates (i.e., subscription posting and deletion) and so updates must be done in batch mode...Although the present implementation of PUBSUB does not support the string datatype , its architecture is sufficiently versatile to accommodate this... datatype with the inclusion of additional data structures as de- scribed in Section 3. 3. PUBSUB Section 3.1 describes how PUBSUB organizes its database of