Heat and mass transfer intensification and shape optimization a multi-scale approach

CERN Document Server

2013-01-01

Is the heat and mass transfer intensification defined as a new paradigm of process engineering, or is it just a common and old idea, renamed and given the current taste? Where might intensification occur? How to achieve intensification? How the shape optimization of thermal and fluidic devices leads to intensified heat and mass transfers? To answer these questions, Heat & Mass Transfer Intensification and Shape Optimization: A Multi-scale Approach clarifies  the definition of the intensification by highlighting the potential role of the multi-scale structures, the specific interfacial area, the distribution of driving force, the modes of energy supply and the temporal aspects of processes.   A reflection on the methods of process intensification or heat and mass transfer enhancement in multi-scale structures is provided, including porous media, heat exchangers, fluid distributors, mixers and reactors. A multi-scale approach to achieve intensification and shape optimization is developed and clearly expla...

MULTI-TEMPORAL REMOTE SENSING IMAGE CLASSIFICATION - A MULTI-VIEW APPROACH

Data.gov (United States)

National Aeronautics and Space Administration — MULTI-TEMPORAL REMOTE SENSING IMAGE CLASSIFICATION - A MULTI-VIEW APPROACH VARUN CHANDOLA AND RANGA RAJU VATSAVAI Abstract. Multispectral remote sensing images have...

A Multi-Model Approach for System Diagnosis

DEFF Research Database (Denmark)

Niemann, Hans Henrik; Poulsen, Niels Kjølstad; Bækgaard, Mikkel Ask Buur

2007-01-01

A multi-model approach for system diagnosis is presented in this paper. The relation with fault diagnosis as well as performance validation is considered. The approach is based on testing a number of pre-described models and find which one is the best. It is based on an active approach......,i.e. an auxiliary input to the system is applied. The multi-model approach is applied on a wind turbine system....

Biphasic DC measurement approach for enhanced measurement stability and multi-channel sampling of self-sensing multi-functional structural materials doped with carbon-based additives

Science.gov (United States)

Downey, Austin; D'Alessandro, Antonella; Ubertini, Filippo; Laflamme, Simon; Geiger, Randall

2017-06-01

Investigation of multi-functional carbon-based self-sensing structural materials for structural health monitoring applications is a topic of growing interest. These materials are self-sensing in the sense that they can provide measurable electrical outputs corresponding to physical changes such as strain or induced damage. Nevertheless, the development of an appropriate measurement technique for such materials is yet to be achieved, as many results in the literature suggest that these materials exhibit a drift in their output when measured with direct current (DC) methods. In most of the cases, the electrical output is a resistance and the reported drift is an increase in resistance from the time the measurement starts due to material polarization. Alternating current methods seem more appropriate at eliminating the time drift. However, published results show they are not immune to drift. Moreover, the use of multiple impedance measurement devices (LCR meters) does not allow for the simultaneous multi-channel sampling of multi-sectioned self-sensing materials due to signal crosstalk. The capability to simultaneously monitor multiple sections of self-sensing structural materials is needed to deploy these multi-functional materials for structural health monitoring. Here, a biphasic DC measurement approach with a periodic measure/discharge cycle in the form of a square wave sensing current is used to provide consistent, stable resistance measurements for self-sensing structural materials. DC measurements are made during the measurement region of the square wave while material depolarization is obtained during the discharge region of the periodic signal. The proposed technique is experimentally shown to remove the signal drift in a carbon-based self-sensing cementitious material while providing simultaneous multi-channel measurements of a multi-sectioned self-sensing material. The application of the proposed electrical measurement technique appears promising for real

HITRAN Application Programming Interface (HAPI): A comprehensive approach to working with spectroscopic data

International Nuclear Information System (INIS)

Kochanov, R.V.; Gordon, I.E.; Rothman, L.S.; Wcisło, P.; Hill, C.; Wilzewski, J.S.

2016-01-01

The HITRAN Application Programming Interface (HAPI) is presented. HAPI is a free Python library, which extends the capabilities of the HITRANonline interface ( (www.hitran.org)) and can be used to filter and process the structured spectroscopic data. HAPI incorporates a set of tools for spectra simulation accounting for the temperature, pressure, optical path length, and instrument properties. HAPI is aimed to facilitate the spectroscopic data analysis and the spectra simulation based on the line-by-line data, such as from the HITRAN database [JQSRT (2013) 130, 4–50], allowing the usage of the non-Voigt line profile parameters, custom temperature and pressure dependences, and partition sums. The HAPI functions allow the user to control the spectra simulation and data filtering process via a set of the function parameters. HAPI can be obtained at its homepage (www.hitran.org/hapi). - Highlights: • HAPI extends the HITRANonline portal and provides an access to the HITRAN data. • Free, flexible, and portable Python library for working with the spectroscopic data. • Incorporates functions for querying, filtering and processing the spectroscopic data. • Provides functionality for single-layer spectra simulation. • Can be used in the radiative transfer codes, spectroscopic data validation, etc.

DFT calculations on spectroscopic and structural properties of a NLO chromophore

Science.gov (United States)

Altürk, Sümeyye; Avci, Davut; Tamer, Ömer; Atalay, Yusuf

2016-03-01

The molecular geometry optimization, vibrational frequencies and gauge including atomic orbital (GIAO) 1H and 13C NMR chemical shift values of 2-(1'-(4'''-Methoxyphenyl)-5'-(thien-2″-yl)pyrrol-2'-yl)-1,3-benzothiazole as potential nonlinear optical (NLO) material were calculated using density functional theory (DFT) HSEh1PBE method with 6-311G(d,p) basis set. The best of our knowledge, this study have not been reported to date. Additionally, a detailed vibrational study was performed on the basis of potential energy distribution (PED) using VEDA program. It is noteworthy that NMR chemical shifts are quite useful for understanding the relationship between the molecular structure and electronic properties of molecules. The computed IR and NMR spectra were used to determine the types of the experimental bands observed. Predicted values of structural and spectroscopic parameters of the chromophore were compared with each other so as to display the effects of the different substituents on the spectroscopic and structural properties. Obtained data showed that there is an agreement between the predicted and experimental data.

Participatory flood vulnerability assessment: a multi-criteria approach

Science.gov (United States)

Madruga de Brito, Mariana; Evers, Mariele; Delos Santos Almoradie, Adrian

2018-01-01

This paper presents a participatory multi-criteria decision-making (MCDM) approach for flood vulnerability assessment while considering the relationships between vulnerability criteria. The applicability of the proposed framework is demonstrated in the municipalities of Lajeado and Estrela, Brazil. The model was co-constructed by 101 experts from governmental organizations, universities, research institutes, NGOs, and private companies. Participatory methods such as the Delphi survey, focus groups, and workshops were applied. A participatory problem structuration, in which the modellers work closely with end users, was used to establish the structure of the vulnerability index. The preferences of each participant regarding the criteria importance were spatially modelled through the analytical hierarchy process (AHP) and analytical network process (ANP) multi-criteria methods. Experts were also involved at the end of the modelling exercise for validation. The final product is a set of individual and group flood vulnerability maps. Both AHP and ANP proved to be effective for flood vulnerability assessment; however, ANP is preferred as it considers the dependences among criteria. The participatory approach enabled experts to learn from each other and acknowledge different perspectives towards social learning. The findings highlight that to enhance the credibility and deployment of model results, multiple viewpoints should be integrated without forcing consensus.

A toric varieties approach to geometrical structure of multi partite states

International Nuclear Information System (INIS)

Heydari, Hoshang

2010-01-01

We investigate the geometrical structures of multipartite states based on construction of toric varieties. In particular, we describe pure quantum systems in terms of affine toric varieties and projective embedding of these varieties in complex projective spaces. We show that a quantum system can be corresponds to a toric variety of a fan which is constructed by gluing together affine toric varieties of polytopes. Moreover, we show that the projective toric varieties are the spaces of separable multipartite quantum states. The construction is a generalization of the complex multi-projective Segre variety. Our construction suggests a systematic way of looking at the structures of multipartite quantum systems.

Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements.

Science.gov (United States)

Weck, Philippe F; Kim, Eunja; Wang, Yifeng; Kruichak, Jessica N; Mills, Melissa M; Matteo, Edward N; Pellenq, Roland J-M

2017-08-01

Molecular structures of kerogen control hydrocarbon production in unconventional reservoirs. Significant progress has been made in developing model representations of various kerogen structures. These models have been widely used for the prediction of gas adsorption and migration in shale matrix. However, using density functional perturbation theory (DFPT) calculations and vibrational spectroscopic measurements, we here show that a large gap may still remain between the existing model representations and actual kerogen structures, therefore calling for new model development. Using DFPT, we calculated Fourier transform infrared (FTIR) spectra for six most widely used kerogen structure models. The computed spectra were then systematically compared to the FTIR absorption spectra collected for kerogen samples isolated from Mancos, Woodford and Marcellus formations representing a wide range of kerogen origin and maturation conditions. Limited agreement between the model predictions and the measurements highlights that the existing kerogen models may still miss some key features in structural representation. A combination of DFPT calculations with spectroscopic measurements may provide a useful diagnostic tool for assessing the adequacy of a proposed structural model as well as for future model development. This approach may eventually help develop comprehensive infrared (IR)-fingerprints for tracing kerogen evolution.

Intuitionistic Fuzzy Goal Programming Technique for Solving Non-Linear Multi-objective Structural Problem

Directory of Open Access Journals (Sweden)

Samir Dey

2015-07-01

Full Text Available This paper proposes a new multi-objective intuitionistic fuzzy goal programming approach to solve a multi-objective nonlinear programming problem in context of a structural design. Here we describe some basic properties of intuitionistic fuzzy optimization. We have considered a multi-objective structural optimization problem with several mutually conflicting objectives. The design objective is to minimize weight of the structure and minimize the vertical deflection at loading point of a statistically loaded three-bar planar truss subjected to stress constraints on each of the truss members. This approach is used to solve the above structural optimization model based on arithmetic mean and compare with the solution by intuitionistic fuzzy goal programming approach. A numerical solution is given to illustrate our approach.

A multi-scaled approach to evaluating the fish assemblage structure within southern Appalachian streams USA.

Science.gov (United States)

Kirsch, Joseph; Peterson, James T.

2014-01-01

There is considerable uncertainty about the relative roles of stream habitat and landscape characteristics in structuring stream-fish assemblages. We evaluated the relative importance of environmental characteristics on fish occupancy at the local and landscape scales within the upper Little Tennessee River basin of Georgia and North Carolina. Fishes were sampled using a quadrat sample design at 525 channel units within 48 study reaches during two consecutive years. We evaluated species–habitat relationships (local and landscape factors) by developing hierarchical, multispecies occupancy models. Modeling results suggested that fish occupancy within the Little Tennessee River basin was primarily influenced by stream topology and topography, urban land coverage, and channel unit types. Landscape scale factors (e.g., urban land coverage and elevation) largely controlled the fish assemblage structure at a stream-reach level, and local-scale factors (i.e., channel unit types) influenced fish distribution within stream reaches. Our study demonstrates the utility of a multi-scaled approach and the need to account for hierarchy and the interscale interactions of factors influencing assemblage structure prior to monitoring fish assemblages, developing biological management plans, or allocating management resources throughout a stream system.

Participatory flood vulnerability assessment: a multi-criteria approach

Directory of Open Access Journals (Sweden)

M. M. de Brito

2018-01-01

Full Text Available This paper presents a participatory multi-criteria decision-making (MCDM approach for flood vulnerability assessment while considering the relationships between vulnerability criteria. The applicability of the proposed framework is demonstrated in the municipalities of Lajeado and Estrela, Brazil. The model was co-constructed by 101 experts from governmental organizations, universities, research institutes, NGOs, and private companies. Participatory methods such as the Delphi survey, focus groups, and workshops were applied. A participatory problem structuration, in which the modellers work closely with end users, was used to establish the structure of the vulnerability index. The preferences of each participant regarding the criteria importance were spatially modelled through the analytical hierarchy process (AHP and analytical network process (ANP multi-criteria methods. Experts were also involved at the end of the modelling exercise for validation. The final product is a set of individual and group flood vulnerability maps. Both AHP and ANP proved to be effective for flood vulnerability assessment; however, ANP is preferred as it considers the dependences among criteria. The participatory approach enabled experts to learn from each other and acknowledge different perspectives towards social learning. The findings highlight that to enhance the credibility and deployment of model results, multiple viewpoints should be integrated without forcing consensus.

A hierarchical structure approach to MultiSensor Information Fusion

Energy Technology Data Exchange (ETDEWEB)

Maren, A.J. (Tennessee Univ., Tullahoma, TN (United States). Space Inst.); Pap, R.M.; Harston, C.T. (Accurate Automation Corp., Chattanooga, TN (United States))

1989-01-01

A major problem with image-based MultiSensor Information Fusion (MSIF) is establishing the level of processing at which information should be fused. Current methodologies, whether based on fusion at the pixel, segment/feature, or symbolic levels, are each inadequate for robust MSIF. Pixel-level fusion has problems with coregistration of the images or data. Attempts to fuse information using the features of segmented images or data relies an a presumed similarity between the segmentation characteristics of each image or data stream. Symbolic-level fusion requires too much advance processing to be useful, as we have seen in automatic target recognition tasks. Image-based MSIF systems need to operate in real-time, must perform fusion using a variety of sensor types, and should be effective across a wide range of operating conditions or deployment environments. We address this problem through developing a new representation level which facilitates matching and information fusion. The Hierarchical Scene Structure (HSS) representation, created using a multilayer, cooperative/competitive neural network, meets this need. The MSS is intermediate between a pixel-based representation and a scene interpretation representation, and represents the perceptual organization of an image. Fused HSSs will incorporate information from multiple sensors. Their knowledge-rich structure aids top-down scene interpretation via both model matching and knowledge-based,region interpretation.

A hierarchical structure approach to MultiSensor Information Fusion

Energy Technology Data Exchange (ETDEWEB)

Maren, A.J. [Tennessee Univ., Tullahoma, TN (United States). Space Inst.; Pap, R.M.; Harston, C.T. [Accurate Automation Corp., Chattanooga, TN (United States)

1989-12-31

A major problem with image-based MultiSensor Information Fusion (MSIF) is establishing the level of processing at which information should be fused. Current methodologies, whether based on fusion at the pixel, segment/feature, or symbolic levels, are each inadequate for robust MSIF. Pixel-level fusion has problems with coregistration of the images or data. Attempts to fuse information using the features of segmented images or data relies an a presumed similarity between the segmentation characteristics of each image or data stream. Symbolic-level fusion requires too much advance processing to be useful, as we have seen in automatic target recognition tasks. Image-based MSIF systems need to operate in real-time, must perform fusion using a variety of sensor types, and should be effective across a wide range of operating conditions or deployment environments. We address this problem through developing a new representation level which facilitates matching and information fusion. The Hierarchical Scene Structure (HSS) representation, created using a multilayer, cooperative/competitive neural network, meets this need. The MSS is intermediate between a pixel-based representation and a scene interpretation representation, and represents the perceptual organization of an image. Fused HSSs will incorporate information from multiple sensors. Their knowledge-rich structure aids top-down scene interpretation via both model matching and knowledge-based,region interpretation.

A diagnostic imaging approach for online characterization of multi-impact in aircraft composite structures based on a scanning spatial-wavenumber filter of guided wave

Science.gov (United States)

Ren, Yuanqiang; Qiu, Lei; Yuan, Shenfang; Su, Zhongqing

2017-06-01

Monitoring of impact and multi-impact in particular in aircraft composite structures has been an intensive research topic in the field of guided-wave-based structural health monitoring (SHM). Compared with the majority of existing methods such as those using signal features in the time-, frequency- or joint time-frequency domain, the approach based on spatial-wavenumber filter of guided wave shows superb advantage in effectively distinguishing particular wave modes and identifying their propagation direction relative to the sensor array. However, there exist two major issues when conducting online characterization of multi-impact event. Firstly, the spatial-wavenumber filter should be realized in the situation that the wavenumber of high spatial resolution of the complicated multi-impact signal cannot be measured or modeled. Secondly, it's difficult to identify the multiple impacts and realize multi-impact localization due to the overlapping of wavenumbers. To address these issues, a scanning spatial-wavenumber filter based diagnostic imaging method for online characterization of multi-impact event is proposed to conduct multi-impact imaging and localization in this paper. The principle of the scanning filter for multi-impact is developed first to conduct spatial-wavenumber filtering and to achieve wavenumber-time imaging of the multiple impacts. Then, a feature identification method of multi-impact based on eigenvalue decomposition and wavenumber searching is presented to estimate the number of impacts and calculate the wavenumber of the multi-impact signal, and an image mapping method is proposed as well to convert the wavenumber-time image to an angle-distance image to distinguish and locate the multiple impacts. A series of multi-impact events are applied to a carbon fiber laminate plate to validate the proposed methods. The validation results show that the localization of the multiple impacts are well achieved.

Estimation of effective permeability for magnetoactive composites containing multi-chain-structured particles based on the generalized Mori–Tanaka approach

International Nuclear Information System (INIS)

Zhang, Haiyu; Wang, Xingzhe

2014-01-01

We present an analytic approach to evaluate the effective permeability of multi-chain-structured magnetic particle-filled composites which is formulated by a microstructure-based double-inclusion magnetic model with the generalized Mori–Tanaka theorem. The local magnetic field in a representative volume element (RVE) containing multi-chain-structured particles is derived by using a modified Green’s function. The average fields in the particles, in a matrix coated by particles, and in an effective medium far away from particles are rendered by homogenization of the local magnetic distributions. By means of the relation between the average magnetic field and induction, the effective magnetic permeability of magnetoactive composites is explicitly derived; it exhibits anisotropic and universal behavior. The proposed model has been compared with the available experimental data and other microstructure-based models in the literature; it shows good agreement and gives reliable predictions for magnetic particle-filled composites, especially in terms of capturing the magnetic anisotropic characteristics with respect to the multi-chain-structured particle distribution. (paper)

EEL spectroscopic tomography: towards a new dimension in nanomaterials analysis.

Science.gov (United States)

Yedra, Lluís; Eljarrat, Alberto; Arenal, Raúl; Pellicer, Eva; Cabo, Moisés; López-Ortega, Alberto; Estrader, Marta; Sort, Jordi; Baró, Maria Dolors; Estradé, Sònia; Peiró, Francesca

2012-11-01

Electron tomography is a widely spread technique for recovering the three dimensional (3D) shape of nanostructured materials. Using a spectroscopic signal to achieve a reconstruction adds a fourth chemical dimension to the 3D structure. Up to date, energy filtering of the images in the transmission electron microscope (EFTEM) is the usual spectroscopic method even if most of the information in the spectrum is lost. Unlike EFTEM tomography, the use of electron energy-loss spectroscopy (EELS) spectrum images (SI) for tomographic reconstruction retains all chemical information, and the possibilities of this new approach still remain to be fully exploited. In this article we prove the feasibility of EEL spectroscopic tomography at low voltages (80 kV) and short acquisition times from data acquired using an aberration corrected instrument and data treatment by Multivariate Analysis (MVA), applied to Fe(x)Co((3-x))O(4)@Co(3)O(4) mesoporous materials. This approach provides a new scope into materials; the recovery of full EELS signal in 3D. Copyright © 2012 Elsevier B.V. All rights reserved.

Multi-scale structural similarity index for motion detection

Directory of Open Access Journals (Sweden)

M. Abdel-Salam Nasr

2017-07-01

Full Text Available The most recent approach for measuring the image quality is the structural similarity index (SSI. This paper presents a novel algorithm based on the multi-scale structural similarity index for motion detection (MS-SSIM in videos. The MS-SSIM approach is based on modeling of image luminance, contrast and structure at multiple scales. The MS-SSIM has resulted in much better performance than the single scale SSI approach but at the cost of relatively lower processing speed. The major advantages of the presented algorithm are both: the higher detection accuracy and the quasi real-time processing speed.

Multi-Center Electronic Structure Calculations for Plasma Equation of State

Energy Technology Data Exchange (ETDEWEB)

Wilson, B G; Johnson, D D; Alam, A

2010-12-14

We report on an approach for computing electronic structure utilizing solid-state multi-center scattering techniques, but generalized to finite temperatures to model plasmas. This approach has the advantage of handling mixtures at a fundamental level without the imposition of ad hoc continuum lowering models, and incorporates bonding and charge exchange, as well as multi-center effects in the calculation of the continuum density of states.

Combining sequence-based prediction methods and circular dichroism and infrared spectroscopic data to improve protein secondary structure determinations

Directory of Open Access Journals (Sweden)

Lees Jonathan G

2008-01-01

Full Text Available Abstract Background A number of sequence-based methods exist for protein secondary structure prediction. Protein secondary structures can also be determined experimentally from circular dichroism, and infrared spectroscopic data using empirical analysis methods. It has been proposed that comparable accuracy can be obtained from sequence-based predictions as from these biophysical measurements. Here we have examined the secondary structure determination accuracies of sequence prediction methods with the empirically determined values from the spectroscopic data on datasets of proteins for which both crystal structures and spectroscopic data are available. Results In this study we show that the sequence prediction methods have accuracies nearly comparable to those of spectroscopic methods. However, we also demonstrate that combining the spectroscopic and sequences techniques produces significant overall improvements in secondary structure determinations. In addition, combining the extra information content available from synchrotron radiation circular dichroism data with sequence methods also shows improvements. Conclusion Combining sequence prediction with experimentally determined spectroscopic methods for protein secondary structure content significantly enhances the accuracy of the overall results obtained.

Comprehensive spectroscopic studies on the interaction of biomolecules with surfactant detached multi-walled carbon nanotubes.

Science.gov (United States)

Sekar, Gajalakshmi; Mukherjee, Amitava; Chandrasekaran, Natarajan

2015-04-01

This paper investigates the interaction of ten diverse biomolecules with surfactant detached Multi-Walled Carbon Nanotubes (MWCNTs) using multiple spectroscopic methods. Declining fluorescence intensity of biomolecules in combination with the hyperchromic effect in UV-Visible spectra confirmed the existence of the ground state complex formation. Quenching mechanism remains static and non-fluorescent. 3D spectral data of biomolecules suggested the possibilities of disturbances to the aromatic microenvironment of tryptophan and tyrosine residues arising out of CNTs interaction. Amide band Shifts corresponding to the secondary structure of biomolecules were observed in the of FTIR and FT-Raman spectra. In addition, there exists an increased Raman intensity of tryptophan residues of biomolecules upon interaction with CNTs. Hence, the binding of the aromatic structures of CNTs with the aromatic amino acid residues, in a particular, tryptophan was evidenced. Far UV Circular spectra have showed the loss of alpha-helical contents in biomolecules upon interaction with CNTs. Near UV CD spectra confirmed the alterations in the tryptophan positions of the peptide backbone. Hence, our results have demonstrated that the interaction of biomolecules with OH-MWCNTs would involve binding cum structural changes and alteration to their aromatic micro-environment. Copyright © 2015 Elsevier B.V. All rights reserved.

CGLXTouch: A multi-user multi-touch approach for ultra-high-resolution collaborative workspaces

KAUST Repository

Ponto, Kevin

2011-06-01

This paper presents an approach for empowering collaborative workspaces through ultra-high resolution tiled display environments concurrently interfaced with multiple multi-touch devices. Multi-touch table devices are supported along with portable multi-touch tablet and phone devices, which can be added to and removed from the system on the fly. Events from these devices are tagged with a device identifier and are synchronized with the distributed display environment, enabling multi-user support. As many portable devices are not equipped to render content directly, a remotely scene is streamed in. The presented approach scales for large numbers of devices, providing access to a multitude of hands-on techniques for collaborative data analysis. © 2011 Elsevier B.V. All rights reserved.

A multi-objective approach to solid waste management

International Nuclear Information System (INIS)

Galante, Giacomo; Aiello, Giuseppe; Enea, Mario; Panascia, Enrico

2010-01-01

The issue addressed in this paper consists in the localization and dimensioning of transfer stations, which constitute a necessary intermediate level in the logistic chain of the solid waste stream, from municipalities to the incinerator. Contextually, the determination of the number and type of vehicles involved is carried out in an integrated optimization approach. The model considers both initial investment and operative costs related to transportation and transfer stations. Two conflicting objectives are evaluated, the minimization of total cost and the minimization of environmental impact, measured by pollution. The design of the integrated waste management system is hence approached in a multi-objective optimization framework. To determine the best means of compromise, goal programming, weighted sum and fuzzy multi-objective techniques have been employed. The proposed analysis highlights how different attitudes of the decision maker towards the logic and structure of the problem result in the employment of different methodologies and the obtaining of different results. The novel aspect of the paper lies in the proposal of an effective decision support system for operative waste management, rather than a further contribution to the transportation problem. The model was applied to the waste management of optimal territorial ambit (OTA) of Palermo (Italy).

A multi-objective approach to solid waste management.

Science.gov (United States)

Galante, Giacomo; Aiello, Giuseppe; Enea, Mario; Panascia, Enrico

2010-01-01

The issue addressed in this paper consists in the localization and dimensioning of transfer stations, which constitute a necessary intermediate level in the logistic chain of the solid waste stream, from municipalities to the incinerator. Contextually, the determination of the number and type of vehicles involved is carried out in an integrated optimization approach. The model considers both initial investment and operative costs related to transportation and transfer stations. Two conflicting objectives are evaluated, the minimization of total cost and the minimization of environmental impact, measured by pollution. The design of the integrated waste management system is hence approached in a multi-objective optimization framework. To determine the best means of compromise, goal programming, weighted sum and fuzzy multi-objective techniques have been employed. The proposed analysis highlights how different attitudes of the decision maker towards the logic and structure of the problem result in the employment of different methodologies and the obtaining of different results. The novel aspect of the paper lies in the proposal of an effective decision support system for operative waste management, rather than a further contribution to the transportation problem. The model was applied to the waste management of optimal territorial ambit (OTA) of Palermo (Italy). 2010 Elsevier Ltd. All rights reserved.

An Approach for Autonomy: A Collaborative Communication Framework for Multi-Agent Systems

Science.gov (United States)

Dufrene, Warren Russell, Jr.

2005-01-01

Research done during the last three years has studied the emersion properties of Complex Adaptive Systems (CAS). The deployment of Artificial Intelligence (AI) techniques applied to remote Unmanned Aerial Vehicles has led the author to investigate applications of CAS within the field of Autonomous Multi-Agent Systems. The core objective of current research efforts is focused on the simplicity of Intelligent Agents (IA) and the modeling of these agents within complex systems. This research effort looks at the communication, interaction, and adaptability of multi-agents as applied to complex systems control. The embodiment concept applied to robotics has application possibilities within multi-agent frameworks. A new framework for agent awareness within a virtual 3D world concept is possible where the vehicle is composed of collaborative agents. This approach has many possibilities for applications to complex systems. This paper describes the development of an approach to apply this virtual framework to the NASA Goddard Space Flight Center (GSFC) tetrahedron structure developed under the Autonomous Nano Technology Swarm (ANTS) program and the Super Miniaturized Addressable Reconfigurable Technology (SMART) architecture program. These projects represent an innovative set of novel concepts deploying adaptable, self-organizing structures composed of many tetrahedrons. This technology is pushing current applied Agents Concepts to new levels of requirements and adaptability.

Antecedents of Organisational Creativity: A Multi-Level Approach

Directory of Open Access Journals (Sweden)

Ritu Gupta

2016-06-01

Full Text Available The purpose of this literature review is to provide a better understanding of the antecedents of organisational creativity with a multi-level approach. Organisational creativity is a sum total of the creativity accounted for by the individual employees of the organisation, the cumulative creativity of a team or group and creativity arising out of different structural components of an organisation. Some of the antecedents identified from the literature include personality, intrinsic motivation, group cohesion, social inhibition, cognitive interference, leader member exchange, organisational culture and climate, amongst others at individual, group and organisational level. Based on the literature review, suggestions for future research and research propositions have been proposed.

HITRAN Application Programming Interface (HAPI): A comprehensive approach to working with spectroscopic data

Science.gov (United States)

Kochanov, R. V.; Gordon, I. E.; Rothman, L. S.; Wcisło, P.; Hill, C.; Wilzewski, J. S.

2016-07-01

The HITRAN Application Programming Interface (HAPI) is presented. HAPI is a free Python library, which extends the capabilities of the HITRANonline interface (www.hitran.org) and can be used to filter and process the structured spectroscopic data. HAPI incorporates a set of tools for spectra simulation accounting for the temperature, pressure, optical path length, and instrument properties. HAPI is aimed to facilitate the spectroscopic data analysis and the spectra simulation based on the line-by-line data, such as from the HITRAN database [JQSRT (2013) 130, 4-50], allowing the usage of the non-Voigt line profile parameters, custom temperature and pressure dependences, and partition sums. The HAPI functions allow the user to control the spectra simulation and data filtering process via a set of the function parameters. HAPI can be obtained at its homepage www.hitran.org/hapi.

Comparative study of the interactions between bisphenol-A and its endocrine disrupting analogues with bovine serum albumin using multi-spectroscopic and molecular docking studies.

Science.gov (United States)

Ikhlas, Shoeb; Usman, Afia; Ahmad, Masood

2018-04-24

Interaction studies of bisphenol analogues; biphenol-A (BPA), bisphenol-B (BPB), and bisphenol-F (BPF) with bovine serum albumin (BSA) were performed using multi-spectroscopic and molecular docking studies at the protein level. The mechanism of binding of bisphenols with BSA was dynamic in nature. SDS refolding experiments demonstrated no stabilization of BSA structure denatured by BPB, however, BSA denatured by BPA and BPF was found to get stabilized. Also, CD spectra and molecular docking studies revealed that BPB bound more strongly and induced more conformational changes in BSA in comparison to BPA. Hence, this study throws light on the replacement of BPA by its analogues and whether the replacement is associated with a possible risk, raising a doubt that perhaps BPB is not a good substitute of BPA.

The construct validity of the Spanish version of the ABQ using a multi-trait/multi-method approach

Directory of Open Access Journals (Sweden)

Thomas D. Raedeke

2013-10-01

Full Text Available This study was designed to evaluate construct validity evidence associated with the Spanish version of the Athlete Burnout Questionnaire (ABQ using a multi-trait/multi-method (MTMM approach. The ABQ was administered to a sample of 302 Spanish athletes, along with two other questionnaires including the Maslach Burnout Inventory-General Survey (MBI-GS and the Depression, Anxiety, Stress Scale (DASS-21, which respectively measure burnout in organizational settings and indicators of ill being including depression, anxiety and stress. A structural equation modeling approach to a MTMM analysis was used. Results revealed by comparative analysis of four models that the Spanish version of ABQ has convergent and internal discriminant validity evident by high correlations between matching burnout subscales across two measures and lower correlations between non-matching dimensions. In addition, the burnout measures exhibited external discriminant validity as the correlations between burnout dimensions were higher than those seen between conceptually related, but unique, constructs.

Molecular insight into the inclusion of the dietary plant flavonol fisetin and its chromophore within a chemically modified γ-cyclodextrin: Multi-spectroscopic, molecular docking and solubility studies.

Science.gov (United States)

Pahari, Biswapathik; Chakraborty, Sandipan; Sengupta, Pradeep K

2018-09-15

We explored the encapsulation of dietary plant flavonols fisetin and its chromophore 3-hydroxyflavone, within 2-hydroxypropyl-γ-cyclodextrin (HPγ-CDx) nano-cavity in aqueous solution using multi-spectroscopic approaches and molecular docking. Upon addition of HPγ-CDx, dramatic changes occur in the intrinsic 'two color' fluorescence behavior of the fluorophores. This is manifested by significant increase in the steady state fluorescence intensities, anisotropies, average fluorescence lifetimes and rotational correlation times. Furthermore, in the CDx environment, intrinsically achiral flavonols exhibit prominent induced circular dichroism bands. These findings indicate that the flavonol molecules spontaneously enter the relatively hydrophobic, chiral environment of the HPγ-CDx nano-cavities. Molecular docking computations corroborate the spectroscopic findings, and predict selectivity in orientation of the encapsulated flavonols. HPγ-CDx inclusion increases the aqueous solubility of individual flavonols ∼100-1000 times. The present study demonstrates that the hydroxypropyl substituent in γ-CDx controls the inclusion mode of the flavonols, leading to their enhanced solubilization and altered spectral signatures. Copyright © 2018 Elsevier Ltd. All rights reserved.

Classification and Compression of Multi-Resolution Vectors: A Tree Structured Vector Quantizer Approach

Science.gov (United States)

2002-01-01

their expression profile and for classification of cells into tumerous and non- tumerous classes. Then we will present a parallel tree method for... cancerous cells. We will use the same dataset and use tree structured classifiers with multi-resolution analysis for classifying cancerous from non- cancerous ...cells. We have the expressions of 4096 genes from 98 different cell types. Of these 98, 72 are cancerous while 26 are non- cancerous . We are interested

Studies on the effect of AgNP binding on α-amylase structure of porcine pancreas and Bacillus subtilis by multi-spectroscopic methods

International Nuclear Information System (INIS)

Ernest, Vinita; Sekar, Gajalakshmi; Mukherjee, Amitava; Chandrasekaran, N.

2014-01-01

Functionalizing silver nanoparticles (AgNPs) with biomolecules have a number of applications in catalysis, sensing, pharmaceutics and therapy. For the first time, herein we report the interaction of amylase-AgNPs through various spectroscopic techniques. AgNPs are synthesized and characterized by UV–vis spectroscopy, transmission electron microscopy (TEM) and Dynamic Light Scattering (DLS). The binding of AgNPs to α-amylase are investigated by UV–vis, fluorescence, circular dichroism and FTIR spectroscopic techniques. Absorption intensity and Stern–Volmer plots confirmed the formation of the ground state complex with AgNPs. The quenching of the intrinsic protein fluorescence in the presence of different concentrations of AgNP was observed. The apparent binding constant (K) and number of binding sites (n) was calculated from the Stern–Volmer plot was found to be 4.92×10 3 , 3.8×10 3 and 1.57, 1.3 for porcine pancreas and Bacillus subtilis α-amylase, respectively. Far-UV CD studies revealed the characteristic dichoric band at 222 nm for α-helical structure was shifted to 215 nm in porcine pancreatic α-amylase upon AgNP binding. Further, structural conformation change with peak shifts and the possible binding residues was confirmed through FTIR spectroscopy. -- Highlights: • AgNPs were synthesized using modified Creighton's method and characterized. • Structural changes analyzed by UV–vis, fluorescence spectroscopy. • CD and FTIR spectra reveal the secondary structure conformation change. • Potential application in food industry

Studies on the effect of AgNP binding on α-amylase structure of porcine pancreas and Bacillus subtilis by multi-spectroscopic methods

Energy Technology Data Exchange (ETDEWEB)

Ernest, Vinita; Sekar, Gajalakshmi; Mukherjee, Amitava; Chandrasekaran, N., E-mail: nchandrasekaran@vit.ac.in

2014-02-15

Functionalizing silver nanoparticles (AgNPs) with biomolecules have a number of applications in catalysis, sensing, pharmaceutics and therapy. For the first time, herein we report the interaction of amylase-AgNPs through various spectroscopic techniques. AgNPs are synthesized and characterized by UV–vis spectroscopy, transmission electron microscopy (TEM) and Dynamic Light Scattering (DLS). The binding of AgNPs to α-amylase are investigated by UV–vis, fluorescence, circular dichroism and FTIR spectroscopic techniques. Absorption intensity and Stern–Volmer plots confirmed the formation of the ground state complex with AgNPs. The quenching of the intrinsic protein fluorescence in the presence of different concentrations of AgNP was observed. The apparent binding constant (K) and number of binding sites (n) was calculated from the Stern–Volmer plot was found to be 4.92×10{sup 3}, 3.8×10{sup 3} and 1.57, 1.3 for porcine pancreas and Bacillus subtilis α-amylase, respectively. Far-UV CD studies revealed the characteristic dichoric band at 222 nm for α-helical structure was shifted to 215 nm in porcine pancreatic α-amylase upon AgNP binding. Further, structural conformation change with peak shifts and the possible binding residues was confirmed through FTIR spectroscopy. -- Highlights: • AgNPs were synthesized using modified Creighton's method and characterized. • Structural changes analyzed by UV–vis, fluorescence spectroscopy. • CD and FTIR spectra reveal the secondary structure conformation change. • Potential application in food industry.

Toolbox for super-structured and super-structure free multi-disciplinary building spatial design optimisation

NARCIS (Netherlands)

Boonstra, S.; van der Blom, K.; Hofmeyer, H.; Emmerich, M.T.M.; van Schijndel, A.W.M.; de Wilde, P.

2018-01-01

Multi-disciplinary optimisation of building spatial designs is characterised by large solution spaces. Here two approaches are introduced, one being super-structured and the other super-structure free. Both are different in nature and perform differently for large solution spaces and each requires

Interconnected levels of multi-stage marketing: A triadic approach

OpenAIRE

Vedel, Mette; Geersbro, Jens; Ritter, Thomas

2012-01-01

Multi-stage marketing gains increasing attention as knowledge of and influence on the customer's customer become more critical for the firm's success. Despite this increasing managerial relevance, systematic approaches for analyzing multi-stage marketing are still missing. This paper conceptualizes different levels of multi-stage marketing and illustrates these stages with a case study. In addition, a triadic perspective is introduced as an analytical tool for multi-stage marketing research. ...

A Multi-organisational Approach to Service Delivery

Science.gov (United States)

Purchase, Valerie; Mills, John; Parry, Glenn

Who is involved in delivering a service? There has been growing recognition in a wide variety of contexts that service is increasingly being delivered by multi-rather than single-organisational entities. Such recognition is evident not only in our experience but in a number of areas of literature including strategy development, core competence analysis, operations and supply chain management, and is reflected in and further facilitated by ICT developments. Customers have always been involved in some degree in the process of value delivery and such involvement is increasing to include complex co-creation of value. Such interactions are challenging when they involve individual customers, however, this becomes ever more challenging when the 'customer' is another organisation or when there are multiple 'customers'. Within this chapter we will consider some of the key drivers for a multi-organisational approach to service delivery; examine the ways in which the parties involved in service co-creation have expanded to include multiple service providers and customers; and finally, identify some of the challenges created by a multi-organisational approach to service delivery.

Implementation of Grid-computing Framework for Simulation in Multi-scale Structural Analysis

Directory of Open Access Journals (Sweden)

Data Iranata

2010-05-01

Full Text Available A new grid-computing framework for simulation in multi-scale structural analysis is presented. Two levels of parallel processing will be involved in this framework: multiple local distributed computing environments connected by local network to form a grid-based cluster-to-cluster distributed computing environment. To successfully perform the simulation, a large-scale structural system task is decomposed into the simulations of a simplified global model and several detailed component models using various scales. These correlated multi-scale structural system tasks are distributed among clusters and connected together in a multi-level hierarchy and then coordinated over the internet. The software framework for supporting the multi-scale structural simulation approach is also presented. The program architecture design allows the integration of several multi-scale models as clients and servers under a single platform. To check its feasibility, a prototype software system has been designed and implemented to perform the proposed concept. The simulation results show that the software framework can increase the speedup performance of the structural analysis. Based on this result, the proposed grid-computing framework is suitable to perform the simulation of the multi-scale structural analysis.

Polarization Characterization of a Multi-Moded Feed Structure

Data.gov (United States)

National Aeronautics and Space Administration — The Polarization Characterization of a Multi-Moded Feed Structure projects characterize the polarization response of a multi-moded feed horn as an innovative...

Mainstreaming Multi-Risk Approaches into Policy

Directory of Open Access Journals (Sweden)

Anna Scolobig

2017-12-01

Full Text Available Multi-risk environments are characterized by domino effects that often amplify the overall risk. Those include chains of hazardous events and increasing vulnerability, among other types of correlations within the risk process. The recently developed methods for multi-hazard and risk assessment integrate interactions between different risks by using harmonized procedures based on common metrics. While the products of these assessments, such as multi-hazard and -risk indexes, maps, cascade scenarios, or warning systems provide innovative and effective information, they also pose specific challenges to policy makers and practitioners due to their novel cross-disciplinary aspects. In this paper we discuss the institutional barriers to the adoption of multi-risk approaches, summarizing the results of the fieldwork conducted in Italy and Guadeloupe and of workshops with disaster risk reduction practitioners from eleven European countries. Results show the need for a clear identification of responsibilities for the implementation of multi-risk approaches, as institutional frameworks for risk reduction remain to this day primarily single-risk centered. Authorities are rarely officially responsible for the management of domino effects between e.g., tsunamis and industrial accidents, earthquake and landslides, floods and electricity network failures. Other barriers for the implementation of multi-risk approaches include the limited measures to reduce exposure at the household level, inadequate financial capacities at the local level and limited public-private partnerships, especially in case of interactions between natural and industrial risks. Adapting the scale of institutions to that of multi-risk environments remains a major challenge to better mainstream multi-risk approaches into policy. To address it, we propose a multi-risk governance framework, which includes the phases of observation, social and institutional context analysis, generation of

Tuneable resolution as a systems biology approach for multi-scale, multi-compartment computational models.

Science.gov (United States)

Kirschner, Denise E; Hunt, C Anthony; Marino, Simeone; Fallahi-Sichani, Mohammad; Linderman, Jennifer J

2014-01-01

The use of multi-scale mathematical and computational models to study complex biological processes is becoming increasingly productive. Multi-scale models span a range of spatial and/or temporal scales and can encompass multi-compartment (e.g., multi-organ) models. Modeling advances are enabling virtual experiments to explore and answer questions that are problematic to address in the wet-lab. Wet-lab experimental technologies now allow scientists to observe, measure, record, and analyze experiments focusing on different system aspects at a variety of biological scales. We need the technical ability to mirror that same flexibility in virtual experiments using multi-scale models. Here we present a new approach, tuneable resolution, which can begin providing that flexibility. Tuneable resolution involves fine- or coarse-graining existing multi-scale models at the user's discretion, allowing adjustment of the level of resolution specific to a question, an experiment, or a scale of interest. Tuneable resolution expands options for revising and validating mechanistic multi-scale models, can extend the longevity of multi-scale models, and may increase computational efficiency. The tuneable resolution approach can be applied to many model types, including differential equation, agent-based, and hybrid models. We demonstrate our tuneable resolution ideas with examples relevant to infectious disease modeling, illustrating key principles at work. © 2014 The Authors. WIREs Systems Biology and Medicine published by Wiley Periodicals, Inc.

Interactive Approach for Multi-Level Multi-Objective Fractional Programming Problems with Fuzzy Parameters

Directory of Open Access Journals (Sweden)

M.S. Osman

2018-03-01

Full Text Available In this paper, an interactive approach for solving multi-level multi-objective fractional programming (ML-MOFP problems with fuzzy parameters is presented. The proposed interactive approach makes an extended work of Shi and Xia (1997. In the first phase, the numerical crisp model of the ML-MOFP problem has been developed at a confidence level without changing the fuzzy gist of the problem. Then, the linear model for the ML-MOFP problem is formulated. In the second phase, the interactive approach simplifies the linear multi-level multi-objective model by converting it into separate multi-objective programming problems. Also, each separate multi-objective programming problem of the linear model is solved by the ∊-constraint method and the concept of satisfactoriness. Finally, illustrative examples and comparisons with the previous approaches are utilized to evince the feasibility of the proposed approach.

Cosmic homogeneity: a spectroscopic and model-independent measurement

Science.gov (United States)

Gonçalves, R. S.; Carvalho, G. C.; Bengaly, C. A. P., Jr.; Carvalho, J. C.; Bernui, A.; Alcaniz, J. S.; Maartens, R.

2018-03-01

Cosmology relies on the Cosmological Principle, i.e. the hypothesis that the Universe is homogeneous and isotropic on large scales. This implies in particular that the counts of galaxies should approach a homogeneous scaling with volume at sufficiently large scales. Testing homogeneity is crucial to obtain a correct interpretation of the physical assumptions underlying the current cosmic acceleration and structure formation of the Universe. In this letter, we use the Baryon Oscillation Spectroscopic Survey to make the first spectroscopic and model-independent measurements of the angular homogeneity scale θh. Applying four statistical estimators, we show that the angular distribution of galaxies in the range 0.46 < z < 0.62 is consistent with homogeneity at large scales, and that θh varies with redshift, indicating a smoother Universe in the past. These results are in agreement with the foundations of the standard cosmological paradigm.

Structure and spectroscopic properties of neutral and cationic tetratomic [C,H,N,Zn] isomers: A theoretical study

Science.gov (United States)

Redondo, Pilar; Largo, Antonio; Vega-Vega, Álvaro; Barrientos, Carmen

2015-05-01

The structure and spectroscopic parameters of the most relevant [C,H,N,Zn] isomers have been studied employing high-level quantum chemical methods. For each isomer, we provide predictions for their molecular structure, thermodynamic stabilities as well as vibrational and rotational spectroscopic parameters which could eventually help in their experimental detection. In addition, we have carried out a detailed study of the bonding situations by means of a topological analysis of the electron density in the framework of the Bader's quantum theory of atoms in molecules. The analysis of the relative stabilities and spectroscopic parameters suggests two linear isomers of the neutral [C,H,N,Zn] composition, namely, cyanidehydridezinc HZnCN (1Σ) and hydrideisocyanidezinc HZnNC (1Σ), as possible candidates for experimental detections. For the cationic [C,H,N,Zn]+ composition, the most stable isomers are the ion-molecule complexes arising from the direct interaction of the zinc cation with either the nitrogen or carbon atom of either hydrogen cyanide or hydrogen isocyanide, namely, HCNZn+ (2Σ) and HCNZn+ (2Σ).

Structure and spectroscopic properties of neutral and cationic tetratomic [C,H,N,Zn] isomers: A theoretical study

International Nuclear Information System (INIS)

Redondo, Pilar; Largo, Antonio; Vega-Vega, Álvaro; Barrientos, Carmen

2015-01-01

The structure and spectroscopic parameters of the most relevant [C,H,N,Zn] isomers have been studied employing high-level quantum chemical methods. For each isomer, we provide predictions for their molecular structure, thermodynamic stabilities as well as vibrational and rotational spectroscopic parameters which could eventually help in their experimental detection. In addition, we have carried out a detailed study of the bonding situations by means of a topological analysis of the electron density in the framework of the Bader’s quantum theory of atoms in molecules. The analysis of the relative stabilities and spectroscopic parameters suggests two linear isomers of the neutral [C,H,N,Zn] composition, namely, cyanidehydridezinc HZnCN ( 1 Σ) and hydrideisocyanidezinc HZnNC ( 1 Σ), as possible candidates for experimental detections. For the cationic [C,H,N,Zn] + composition, the most stable isomers are the ion-molecule complexes arising from the direct interaction of the zinc cation with either the nitrogen or carbon atom of either hydrogen cyanide or hydrogen isocyanide, namely, HCNZn + ( 2 Σ) and HCNZn + ( 2 Σ)

Structure and spectroscopic properties of neutral and cationic tetratomic [C,H,N,Zn] isomers: A theoretical study

Energy Technology Data Exchange (ETDEWEB)

Redondo, Pilar; Largo, Antonio; Vega-Vega, Álvaro; Barrientos, Carmen, E-mail: cbb@qf.uva.es [Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid (Spain)

2015-05-14

The structure and spectroscopic parameters of the most relevant [C,H,N,Zn] isomers have been studied employing high-level quantum chemical methods. For each isomer, we provide predictions for their molecular structure, thermodynamic stabilities as well as vibrational and rotational spectroscopic parameters which could eventually help in their experimental detection. In addition, we have carried out a detailed study of the bonding situations by means of a topological analysis of the electron density in the framework of the Bader’s quantum theory of atoms in molecules. The analysis of the relative stabilities and spectroscopic parameters suggests two linear isomers of the neutral [C,H,N,Zn] composition, namely, cyanidehydridezinc HZnCN ({sup 1}Σ) and hydrideisocyanidezinc HZnNC ({sup 1}Σ), as possible candidates for experimental detections. For the cationic [C,H,N,Zn]{sup +} composition, the most stable isomers are the ion-molecule complexes arising from the direct interaction of the zinc cation with either the nitrogen or carbon atom of either hydrogen cyanide or hydrogen isocyanide, namely, HCNZn{sup +} ({sup 2}Σ) and HCNZn{sup +} ({sup 2}Σ)

Characterization of the Elusive Conformers of Glycine from State-of-the-Art Structural, Thermodynamic, and Spectroscopic Computations: Theory Complements Experiment.

Science.gov (United States)

Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Puzzarini, Cristina

2013-03-12

A state-of-the-art computational strategy for the evaluation of accurate molecular structures as well as thermodynamic and spectroscopic properties along with the direct simulation of infrared (IR) and Raman spectra is established, validated (on the basis of the experimental data available for the Ip glycine conformer) and then used to provide a reliable and accurate characterization of the elusive IVn/gtt and IIIp/tct glycine conformers. The integrated theoretical model proposed is based on accurate post-Hartree-Fock computations (involving composite schemes) of energies, structures, properties, and harmonic force fields coupled to DFT corrections for the proper inclusion of vibrational effects at an anharmonic level (as provided by general second-order perturbative approach). It is shown that the approach presented here allows the evaluation of structural, thermodynamic, and spectroscopic properties with an overall accuracy of about, or better than, 0.001 Å, 20 MHz, 1 kJ·mol(-1), and 10 cm(-1) for bond distances, rotational constants, conformational enthalpies, and vibrational frequencies, respectively. The high accuracy of the computational results allows one to support and complement experimental studies, thus providing (i) an unequivocal identification of several conformers concomitantly present in the experimental mixture and (ii) data not available or difficult to experimentally derive.

Spectroscopic surveys of LAMOST

International Nuclear Information System (INIS)

Zhao Yongheng

2015-01-01

The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST), a new type of reflecting Schmidt telescope, has been designed and produced in China. It marks a breakthrough for large scale spectroscopic survey observation in that both large aperture and wide field of view have been achieved. LAMOST has the highest spectrum acquisition rate, and from October 2011 to June 2014 it has obtained 4.13 million spectra of celestial objects, of which 3.78 million are spectra of stars, with the stellar parameters of 2.20 million stars included. (author)

A multi-method approach toward de novo glycan characterization: a Man-5 case study.

Science.gov (United States)

Prien, Justin M; Prater, Bradley D; Cockrill, Steven L

2010-05-01

Regulatory agencies' expectations for biotherapeutic approval are becoming more stringent with regard to product characterization, where minor species as low as 0.1% of a given profile are typically identified. The mission of this manuscript is to demonstrate a multi-method approach toward de novo glycan characterization and quantitation, including minor species at or approaching the 0.1% benchmark. Recently, unexpected isomers of the Man(5)GlcNAc(2) (M(5)) were reported (Prien JM, Ashline DJ, Lapadula AJ, Zhang H, Reinhold VN. 2009. The high mannose glycans from bovine ribonuclease B isomer characterization by ion trap mass spectrometry (MS). J Am Soc Mass Spectrom. 20:539-556). In the current study, quantitative analysis of these isomers found in commercial M(5) standard demonstrated that they are in low abundance (2-aminobenzoic acid to detect and chromatographically resolve multiple M(5) isomers in bovine ribonuclease B. With this multi-method approach, we have the capabilities to comprehensively characterize a biotherapeutic's glycan array in a de novo manner, including structural isomers at >/=0.1% of the total chromatographic peak area.

A data-driven modeling approach to identify disease-specific multi-organ networks driving physiological dysregulation.

Directory of Open Access Journals (Sweden)

Warren D Anderson

2017-07-01

Full Text Available Multiple physiological systems interact throughout the development of a complex disease. Knowledge of the dynamics and connectivity of interactions across physiological systems could facilitate the prevention or mitigation of organ damage underlying complex diseases, many of which are currently refractory to available therapeutics (e.g., hypertension. We studied the regulatory interactions operating within and across organs throughout disease development by integrating in vivo analysis of gene expression dynamics with a reverse engineering approach to infer data-driven dynamic network models of multi-organ gene regulatory influences. We obtained experimental data on the expression of 22 genes across five organs, over a time span that encompassed the development of autonomic nervous system dysfunction and hypertension. We pursued a unique approach for identification of continuous-time models that jointly described the dynamics and structure of multi-organ networks by estimating a sparse subset of ∼12,000 possible gene regulatory interactions. Our analyses revealed that an autonomic dysfunction-specific multi-organ sequence of gene expression activation patterns was associated with a distinct gene regulatory network. We analyzed the model structures for adaptation motifs, and identified disease-specific network motifs involving genes that exhibited aberrant temporal dynamics. Bioinformatic analyses identified disease-specific single nucleotide variants within or near transcription factor binding sites upstream of key genes implicated in maintaining physiological homeostasis. Our approach illustrates a novel framework for investigating the pathogenesis through model-based analysis of multi-organ system dynamics and network properties. Our results yielded novel candidate molecular targets driving the development of cardiovascular disease, metabolic syndrome, and immune dysfunction.

A unified monolithic approach for multi-fluid flows and fluid-structure interaction using the Particle Finite Element Method with fixed mesh

Science.gov (United States)

Becker, P.; Idelsohn, S. R.; Oñate, E.

2015-06-01

This paper describes a strategy to solve multi-fluid and fluid-structure interaction (FSI) problems using Lagrangian particles combined with a fixed finite element (FE) mesh. Our approach is an extension of the fluid-only PFEM-2 (Idelsohn et al., Eng Comput 30(2):2-2, 2013; Idelsohn et al., J Numer Methods Fluids, 2014) which uses explicit integration over the streamlines to improve accuracy. As a result, the convective term does not appear in the set of equations solved on the fixed mesh. Enrichments in the pressure field are used to improve the description of the interface between phases.

Multi-spectroscopic and molecular modeling approaches to elucidate the binding interaction between bovine serum albumin and darunavir, a HIV protease inhibitor

Science.gov (United States)

Shi, Jie-Hua; Zhou, Kai-Li; Lou, Yan-Yue; Pan, Dong-Qi

2018-01-01

Darunavir (DRV), a second-generation HIV protease inhibitor, is widely used across the world as an important component of HIV therapy. The interaction of DRV with bovine serum albumin (BSA), a major carrier protein, has been studied under simulated physiological conditions (pH 7.4) by multi-spectroscopic techniques in combination with molecular modeling. Fluorescence data revealed that the intrinsic fluorescence of BSA was quenched by DRV in terms of a static quenching procedure due to the formation of the DRV-BSA complex. The results indicated the presence of single weak affinity binding site ( 103 M- 1, 310 K) on protein. The thermodynamic parameters, namely enthalpy change (ΔH0), entropy change (ΔS0) and Gibbs free energy change (ΔG0) were calculated, which signified that the binding reaction was spontaneous, the main binding forces were hydrogen bonding and van der Waals forces. Importantly, competitive binding experiments with three site probes, phenylbutazone (in sub-domain IIA, site I), ibuprofen (in sub-domain IIIA, site II) and artemether (in the interface between sub-domain IIA and IIB, site II'), suggested that DRV was preferentially bound to the hydrophobic cavity in site II' of BSA, and this finding was validated by the docking results. Additionally, synchronous fluorescence, three-dimensional fluorescence and Resonance Rayleigh Scattering (RRS) spectroscopy gave qualitative information on the conformational changes of BSA upon adding DRV, while quantitative data were obtained with Fourier transform infrared spectroscopy (FT-IR).

Tracking ultrasonically structural changes of natural aquatic organic carbon: Chemical fractionation and spectroscopic approaches.

Science.gov (United States)

Al-Juboori, Raed A; Yusaf, Talal; Aravinthan, Vasantha; Bowtell, Leslie

2016-02-01

In this study, the structural alteration to DOC for a range of ultrasound treatments was investigated with chemical fractionation and UV-vis spectroscopic measurement. Ultrasound treatments were applied in continuous and pulsed modes at power levels of 48 and 84 W for effective treatment times of 5 and 15 min. Overall results show that the ultrasound treatments tended to degrade the hydrophobic aromatic fraction, while increasing the hydrophilic fraction to a lesser extent. The highest recorded reduction of hydrophobic DOC (17.8%) was achieved with pulse treatment of 84 W for15 min, while the highest increase in the hydrophilic DOC (10.5%) was obtained with continuous treatment at 84 W and 5 min. The optimal ultrasound treatment conditions were found to be pulse mode at high power and short treatment time, causing a minimal increase in the hydrophilic fraction of 1.3% with moderate removal of the hydrophobic fraction of 15.52%. The same treatment conditions, with longer treatment time, resulted in the highest removal of SUVA254 and SUVA280 of 17.09% and 16.93, respectively. These results indicate the potential for ultrasound treatments in DOC structural alteration. The hydrophobic fraction showed strong and significant correlations with UV absorbance at 254 and 280 nm. A254/A204 also exhibited strong and significant correlations with the hydrophobic/hydrophilic ratio. The other UV ratios (A250/A365 (E2/E3) and A254/A436) had weak and insignificant correlations with the hydrophobic/hydrophilic ratio. This confirms the applicability of UV indices as a suitable surrogate method for estimating the hydrophobic/hydrophilic structure. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modeling Impact-induced Failure of Polysilicon MEMS: A Multi-scale Approach.

Science.gov (United States)

Mariani, Stefano; Ghisi, Aldo; Corigliano, Alberto; Zerbini, Sarah

2009-01-01

Failure of packaged polysilicon micro-electro-mechanical systems (MEMS) subjected to impacts involves phenomena occurring at several length-scales. In this paper we present a multi-scale finite element approach to properly allow for: (i) the propagation of stress waves inside the package; (ii) the dynamics of the whole MEMS; (iii) the spreading of micro-cracking in the failing part(s) of the sensor. Through Monte Carlo simulations, some effects of polysilicon micro-structure on the failure mode are elucidated.

EEL spectroscopic tomography: Towards a new dimension in nanomaterials analysis

Energy Technology Data Exchange (ETDEWEB)

Yedra, Lluis, E-mail: llyedra@el.ub.es [Laboratory of Electron Nanoscopies (LENS)-MIND/IN2UB, Dept. d' Electronica, Universitat de Barcelona, c/ Marti Franques 1, E-08028 Barcelona (Spain); CCiT, Scientific and Technological Centers, Universitat de Barcelona, C/Lluis Sole i Sabaris 1, E-08028 Barcelona (Spain); Eljarrat, Alberto [Laboratory of Electron Nanoscopies (LENS)-MIND/IN2UB, Dept. d' Electronica, Universitat de Barcelona, c/ Marti Franques 1, E-08028 Barcelona (Spain); Arenal, Raul [Laboratorio de Microscopias Avanzadas (LMA), Instituto de Nanociencia de Aragon (INA), Universidad de Zaragoza, E-50018 Zaragoza (Spain); Fundacion ARAID, E-50004 Zaragoza (Spain); Pellicer, Eva; Cabo, Moises [Departament de Fisica, Facultat de Ciencies, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain); Lopez-Ortega, Alberto; Estrader, Marta [CIN2(CIN-CSIC) and Universitat Autonoma de Barcelona, Catalan Institute of Nanotechnology, Campus de la UAB, E-08193 Bellaterra (Spain); Sort, Jordi [Institucio Catalana de Recerca i Estudis Avancats (ICREA), Departament de Fisica, Facultat de Ciencies, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain); Baro, Maria Dolors [Departament de Fisica, Facultat de Ciencies, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain); and others

2012-11-15

Electron tomography is a widely spread technique for recovering the three dimensional (3D) shape of nanostructured materials. Using a spectroscopic signal to achieve a reconstruction adds a fourth chemical dimension to the 3D structure. Up to date, energy filtering of the images in the transmission electron microscope (EFTEM) is the usual spectroscopic method even if most of the information in the spectrum is lost. Unlike EFTEM tomography, the use of electron energy-loss spectroscopy (EELS) spectrum images (SI) for tomographic reconstruction retains all chemical information, and the possibilities of this new approach still remain to be fully exploited. In this article we prove the feasibility of EEL spectroscopic tomography at low voltages (80 kV) and short acquisition times from data acquired using an aberration corrected instrument and data treatment by Multivariate Analysis (MVA), applied to Fe{sub x}Co{sub (3-x)}O{sub 4}@Co{sub 3}O{sub 4} mesoporous materials. This approach provides a new scope into materials; the recovery of full EELS signal in 3D. -- Highlights: Black-Right-Pointing-Pointer EELS-SI tomography was performed at low voltage and low acquisition times. Black-Right-Pointing-Pointer MVA has been applied for noise reduction and information extraction. Black-Right-Pointing-Pointer Tomographic reconstruction has been achieved for chemical information. Black-Right-Pointing-Pointer Elemental distribution extraction in 3D has been proved.

Paper Prototyping: The Surplus Merit of a Multi-Method Approach

Directory of Open Access Journals (Sweden)

Stephanie Bettina Linek

2015-07-01

Full Text Available This article describes a multi-method approach for usability testing. The approach combines paper prototyping and think-aloud with two supplemental methods: advanced scribbling and a handicraft task. The method of advanced scribbling instructs the participants to use different colors for marking important, unnecessary and confusing elements in a paper prototype. In the handicraft task the participants have to tinker a paper prototype of their wish version. Both methods deliver additional information on the needs and expectations of the potential users and provide helpful indicators for clarifying complex or contradictory findings. The multi-method approach and its surplus benefit are illustrated by a pilot study on the redesign of the homepage of a library 2.0. The findings provide positive evidence for the applicability of the advanced scribbling and the handicraft task as well as for the surplus merit of the multi-method approach. The article closes with a discussion and outlook. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs150379

Multi-criteria multi-stakeholder decision analysis using a fuzzy-stochastic approach for hydrosystem management

Science.gov (United States)

Subagadis, Y. H.; Schütze, N.; Grundmann, J.

2014-09-01

The conventional methods used to solve multi-criteria multi-stakeholder problems are less strongly formulated, as they normally incorporate only homogeneous information at a time and suggest aggregating objectives of different decision-makers avoiding water-society interactions. In this contribution, Multi-Criteria Group Decision Analysis (MCGDA) using a fuzzy-stochastic approach has been proposed to rank a set of alternatives in water management decisions incorporating heterogeneous information under uncertainty. The decision making framework takes hydrologically, environmentally, and socio-economically motivated conflicting objectives into consideration. The criteria related to the performance of the physical system are optimized using multi-criteria simulation-based optimization, and fuzzy linguistic quantifiers have been used to evaluate subjective criteria and to assess stakeholders' degree of optimism. The proposed methodology is applied to find effective and robust intervention strategies for the management of a coastal hydrosystem affected by saltwater intrusion due to excessive groundwater extraction for irrigated agriculture and municipal use. Preliminary results show that the MCGDA based on a fuzzy-stochastic approach gives useful support for robust decision-making and is sensitive to the decision makers' degree of optimism.

Feasibility of a novel participatory multi-sector continuous improvement approach to enhance food security in remote Indigenous Australian communities.

Science.gov (United States)

Brimblecombe, J; Bailie, R; van den Boogaard, C; Wood, B; Liberato, S C; Ferguson, M; Coveney, J; Jaenke, R; Ritchie, J

2017-12-01

Food insecurity underlies and compounds many of the development issues faced by remote Indigenous communities in Australia. Multi-sector approaches offer promise to improve food security. We assessed the feasibility of a novel multi-sector approach to enhance community food security in remote Indigenous Australia. A longitudinal comparative multi-site case study, the Good Food Systems Good Food for All Project, was conducted (2009-2013) with four Aboriginal communities. Continuous improvement meetings were held in each community. Data from project documents and store sales were used to assess feasibility according to engagement, uptake and sustainability of action, and impact on community diet, as well as identifying conditions facilitating or hindering these. Engagement was established where: the community perceived a need for the approach; where trust was developed between the community and facilitators; where there was community stability; and where flexibility was applied in the timing of meetings. The approach enabled stakeholders in each community to collectively appraise the community food system and plan action. Actions that could be directly implemented within available resources resulted from developing collaborative capacity. Actions requiring advocacy, multi-sectoral involvement, commitment or further resources were less frequently used. Positive shifts in community diet were associated with key areas where actions were implemented. A multi-sector participatory approach seeking continuous improvement engaged committed Aboriginal and non-Aboriginal stakeholders and was shown to have potential to shift community diet. Provision of clear mechanisms to link this approach with higher level policy and decision-making structures, clarity of roles and responsibilities, and processes to prioritise and communicate actions across sectors should further strengthen capacity for food security improvement. Integrating this approach enabling local decision-making into

Development of porous structure simulator for multi-scale simulation of irregular porous catalysts

International Nuclear Information System (INIS)

Koyama, Michihisa; Suzuki, Ai; Sahnoun, Riadh; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira

2008-01-01

Efficient development of highly functional porous materials, used as catalysts in the automobile industry, demands a meticulous knowledge of the nano-scale interface at the electronic and atomistic scale. However, it is often difficult to correlate the microscopic interfacial interactions with macroscopic characteristics of the materials; for instance, the interaction between a precious metal and its support oxide with long-term sintering properties of the catalyst. Multi-scale computational chemistry approaches can contribute to bridge the gap between micro- and macroscopic characteristics of these materials; however this type of multi-scale simulations has been difficult to apply especially to porous materials. To overcome this problem, we have developed a novel mesoscopic approach based on a porous structure simulator. This simulator can construct automatically irregular porous structures on a computer, enabling simulations with complex meso-scale structures. Moreover, in this work we have developed a new method to simulate long-term sintering properties of metal particles on porous catalysts. Finally, we have applied the method to the simulation of sintering properties of Pt on alumina support. This newly developed method has enabled us to propose a multi-scale simulation approach for porous catalysts

Multi-spectroscopic and molecular modeling approaches to elucidate the binding interaction between bovine serum albumin and darunavir, a HIV protease inhibitor.

Science.gov (United States)

Shi, Jie-Hua; Zhou, Kai-Li; Lou, Yan-Yue; Pan, Dong-Qi

2018-01-05

Darunavir (DRV), a second-generation HIV protease inhibitor, is widely used across the world as an important component of HIV therapy. The interaction of DRV with bovine serum albumin (BSA), a major carrier protein, has been studied under simulated physiological conditions (pH7.4) by multi-spectroscopic techniques in combination with molecular modeling. Fluorescence data revealed that the intrinsic fluorescence of BSA was quenched by DRV in terms of a static quenching procedure due to the formation of the DRV-BSA complex. The results indicated the presence of single weak affinity binding site (~10 3 M -1 , 310K) on protein. The thermodynamic parameters, namely enthalpy change (ΔH 0 ), entropy change (ΔS 0 ) and Gibbs free energy change (ΔG 0 ) were calculated, which signified that the binding reaction was spontaneous, the main binding forces were hydrogen bonding and van der Waals forces. Importantly, competitive binding experiments with three site probes, phenylbutazone (in sub-domain IIA, site I), ibuprofen (in sub-domain IIIA, site II) and artemether (in the interface between sub-domain IIA and IIB, site II'), suggested that DRV was preferentially bound to the hydrophobic cavity in site II' of BSA, and this finding was validated by the docking results. Additionally, synchronous fluorescence, three-dimensional fluorescence and Resonance Rayleigh Scattering (RRS) spectroscopy gave qualitative information on the conformational changes of BSA upon adding DRV, while quantitative data were obtained with Fourier transform infrared spectroscopy (FT-IR). Copyright © 2017 Elsevier B.V. All rights reserved.

Modeling of a production system using the multi-agent approach

Science.gov (United States)

Gwiazda, A.; Sękala, A.; Banaś, W.

2017-08-01

The method that allows for the analysis of complex systems is a multi-agent simulation. The multi-agent simulation (Agent-based modeling and simulation - ABMS) is modeling of complex systems consisting of independent agents. In the case of the model of the production system agents may be manufactured pieces set apart from other types of agents like machine tools, conveyors or replacements stands. Agents are magazines and buffers. More generally speaking, the agents in the model can be single individuals, but you can also be defined as agents of collective entities. They are allowed hierarchical structures. It means that a single agent could belong to a certain class. Depending on the needs of the agent may also be a natural or physical resource. From a technical point of view, the agent is a bundle of data and rules describing its behavior in different situations. Agents can be autonomous or non-autonomous in making the decision about the types of classes of agents, class sizes and types of connections between elements of the system. Multi-agent modeling is a very flexible technique for modeling and model creating in the convention that could be adapted to any research problem analyzed from different points of views. One of the major problems associated with the organization of production is the spatial organization of the production process. Secondly, it is important to include the optimal scheduling. For this purpose use can approach multi-purposeful. In this regard, the model of the production process will refer to the design and scheduling of production space for four different elements. The program system was developed in the environment NetLogo. It was also used elements of artificial intelligence. The main agent represents the manufactured pieces that, according to previously assumed rules, generate the technological route and allow preprint the schedule of that line. Machine lines, reorientation stands, conveyors and transport devices also represent the

Interconnected levels of Multi-Stage Marketing – A Triadic approach

DEFF Research Database (Denmark)

Vedel, Mette; Geersbro, Jens; Ritter, Thomas

2012-01-01

must not only decide in general on the merits of multi-stage marketing for their firm, but must also decide on which level they will engage in multi-stage marketing. The triadic perspective enables a rich and multi-dimensional understanding of how different business relationships influence each other......Multi-stage marketing gains increasing attention as knowledge of and influence on the customer's customer become more critical for the firm's success. Despite this increasing managerial relevance, systematic approaches for analyzing multi-stage marketing are still missing. This paper conceptualizes...... different levels of multi-stage marketing and illustrates these stages with a case study. In addition, a triadic perspective is introduced as an analytical tool for multi-stage marketing research. The results from the case study indicate that multi-stage marketing exists on different levels. Thus, managers...

Multi-criteria multi-stakeholder decision analysis using a fuzzy-stochastic approach for hydrosystem management

Directory of Open Access Journals (Sweden)

Y. H. Subagadis

2014-09-01

Full Text Available The conventional methods used to solve multi-criteria multi-stakeholder problems are less strongly formulated, as they normally incorporate only homogeneous information at a time and suggest aggregating objectives of different decision-makers avoiding water–society interactions. In this contribution, Multi-Criteria Group Decision Analysis (MCGDA using a fuzzy-stochastic approach has been proposed to rank a set of alternatives in water management decisions incorporating heterogeneous information under uncertainty. The decision making framework takes hydrologically, environmentally, and socio-economically motivated conflicting objectives into consideration. The criteria related to the performance of the physical system are optimized using multi-criteria simulation-based optimization, and fuzzy linguistic quantifiers have been used to evaluate subjective criteria and to assess stakeholders' degree of optimism. The proposed methodology is applied to find effective and robust intervention strategies for the management of a coastal hydrosystem affected by saltwater intrusion due to excessive groundwater extraction for irrigated agriculture and municipal use. Preliminary results show that the MCGDA based on a fuzzy-stochastic approach gives useful support for robust decision-making and is sensitive to the decision makers' degree of optimism.

Prospects of joining multi-material structures

Science.gov (United States)

Sankaranarayanan, R.; Hynes, N. Rajesh Jesudoss

2018-05-01

Spring up trends and necessities make the pipelines for the brand new Technologies. The same way, Multimaterial structures emerging as fruitful alternatives for the conventional structures in the manufacturing sector. Especially manufacturing of transport vehicles is placing a perfect platform for these new structures. Bonding or joining technology plays a crucial role in the field of manufacturing for sustainability. These latest structures are purely depending on such joining technologies so that multi-material structuring can be possible practically. The real challenge lies on joining dissimilar materials of different properties and nature. Escalation of thermoplastic usage in large structural components also faces similar ambiguity for joining multi-material structures. Adhesive bonding, mechanical fastening and are the answering technologies for multi-material structures. This current paper analysis the prospects of these bonding technologies to meet the challenges of tomorrow.

Molecular structure, chemical reactivity, nonlinear optical activity and vibrational spectroscopic studies on 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one: A combined density functional theory and experimental approach

Science.gov (United States)

Pegu, David; Deb, Jyotirmoy; Saha, Sandip Kumar; Paul, Manoj Kumar; Sarkar, Utpal

2018-05-01

In this work, we have synthesized new coumarin Schiff base molecule, viz., 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one and characterized its structural, electronic and spectroscopic properties experimentally and theoretically. The theoretical analysis of UV-visible absorption spectra reflects a red shift in the absorption maximum in comparison to the experimental results. Most of the vibrational assignments of infrared and Raman spectra predicted using density functional theory approach match well with the experimental findings. Further, the chemical reactivity analysis confirms that solvent highly affects the reactivity of the studied compound. The large hyperpolarizability value of the compound concludes that the system exhibits significant nonlinear optical features and thus, points out their possibility in designing material with high nonlinear activity.

Multi-metric model-based structural health monitoring

Science.gov (United States)

Jo, Hongki; Spencer, B. F.

2014-04-01

ABSTRACT The inspection and maintenance of bridges of all types is critical to the public safety and often critical to the economy of a region. Recent advanced sensor technologies provide accurate and easy-to-deploy means for structural health monitoring and, if the critical locations are known a priori, can be monitored by direct measurements. However, for today's complex civil infrastructure, the critical locations are numerous and often difficult to identify. This paper presents an innovative framework for structural monitoring at arbitrary locations on the structure combining computational models and limited physical sensor information. The use of multi-metric measurements is advocated to improve the accuracy of the approach. A numerical example is provided to illustrate the proposed hybrid monitoring framework, particularly focusing on fatigue life assessment of steel structures.

Three-dimensional cell manipulation and patterning using dielectrophoresis via a multi-layer scaffold structure.

Science.gov (United States)

Chu, H K; Huan, Z; Mills, J K; Yang, J; Sun, D

2015-02-07

Cell manipulation is imperative to the areas of cellular biology and tissue engineering, providing them a useful tool for patterning cells into cellular patterns for different analyses and applications. This paper presents a novel approach to perform three-dimensional (3D) cell manipulation and patterning with a multi-layer engineered scaffold. This scaffold structure employed dielectrophoresis as the non-contact mechanism to manipulate cells in the 3D domain. Through establishing electric fields via this multi-layer structure, the cells in the medium became polarized and were attracted towards the interior part of the structure, forming 3D cellular patterns. Experiments were conducted to evaluate the manipulation and the patterning processes with the proposed structure. Results show that with the presence of a voltage input, this multi-layer structure was capable of manipulating different types of biological cells examined through dielectrophoresis, enabling automatic cell patterning in the time-scale of minutes. The effects of the voltage input on the resultant cellular pattern were examined and discussed. Viability test was performed after the patterning operation and the results confirmed that majority of the cells remained viable. After 7 days of culture, 3D cellular patterns were observed through SEM. The results suggest that this scaffold and its automated dielectrophoresis-based patterning mechanism can be used to construct artificial tissues for various tissue engineering applications.

Multi-spectroscopic and molecular docking studies on the interaction of darunavir, a HIV protease inhibitor with calf thymus DNA.

Science.gov (United States)

Shi, Jie-Hua; Zhou, Kai-Li; Lou, Yan-Yue; Pan, Dong-Qi

2018-03-15

Molecular interaction of darunavir (DRV), a HIV protease inhibitor with calf thymus deoxyribonucleic acid (ct-DNA) was studied in physiological buffer (pH7.4) by multi-spectroscopic approaches hand in hand with viscosity measurements and molecular docking technique. The UV absorption and fluorescence results together revealed the formation of a DRV-ct-DNA complex having binding affinities of the order of 10 3 M -1 , which was more in keeping with the groove binding. The results that DRV bound to ct-DNA via groove binding mode was further evidenced by KI quenching studies, viscosity measurements, competitive binding investigations with EB and Rhodamine B and CD spectral analysis. The effect of ionic strength indicated the negligible involvement of electrostatic interaction between DRV and ct-DNA. The thermodynamic parameters regarding the binding interaction of DRV with ct-DNA in terms of enthalpy change (ΔH 0 ) and entropy change (ΔS 0 ) were -63.19kJ mol -1 and -141.92J mol -1 K -1 , indicating that hydrogen bonds and van der Waals forces played a predominant role in the binding process. Furthermore, molecular simulation studies suggested that DRV molecule was prone to bind in the A-T rich region of the minor groove of DNA. Copyright © 2017 Elsevier B.V. All rights reserved.

Multi-dimensional technology-enabled social learning approach

DEFF Research Database (Denmark)

Petreski, Hristijan; Tsekeridou, Sofia; Prasad, Neeli R.

2013-01-01

’t respond to this systemic and structural changes and/or challenges and retains its status quo than it is jeopardizing its own existence or the existence of the education, as we know it. This paper aims to precede one step further by proposing a multi-dimensional approach for technology-enabled social...... in learning while socializing within their learning communities. However, their “educational” usage is still limited to facilitation of online learning communities and to collaborative authoring of learning material complementary to existing formal (e-) learning services. If the educational system doesn...

Spectroscopically Enhanced Method and System for Multi-Factor Biometric Authentication

Science.gov (United States)

Pishva, Davar

This paper proposes a spectroscopic method and system for preventing spoofing of biometric authentication. One of its focus is to enhance biometrics authentication with a spectroscopic method in a multifactor manner such that a person's unique ‘spectral signatures’ or ‘spectral factors’ are recorded and compared in addition to a non-spectroscopic biometric signature to reduce the likelihood of imposter getting authenticated. By using the ‘spectral factors’ extracted from reflectance spectra of real fingers and employing cluster analysis, it shows how the authentic fingerprint image presented by a real finger can be distinguished from an authentic fingerprint image embossed on an artificial finger, or molded on a fingertip cover worn by an imposter. This paper also shows how to augment two widely used biometrics systems (fingerprint and iris recognition devices) with spectral biometrics capabilities in a practical manner and without creating much overhead or inconveniencing their users.

Feasibility of a novel participatory multi-sector continuous improvement approach to enhance food security in remote Indigenous Australian communities

Directory of Open Access Journals (Sweden)

J. Brimblecombe

2017-12-01

Conclusion: A multi-sector participatory approach seeking continuous improvement engaged committed Aboriginal and non-Aboriginal stakeholders and was shown to have potential to shift community diet. Provision of clear mechanisms to link this approach with higher level policy and decision-making structures, clarity of roles and responsibilities, and processes to prioritise and communicate actions across sectors should further strengthen capacity for food security improvement. Integrating this approach enabling local decision-making into community governance structures with adequate resourcing is an imperative.

MultiSeq: unifying sequence and structure data for evolutionary analysis

Directory of Open Access Journals (Sweden)

Wright Dan

2006-08-01

Full Text Available Abstract Background Since the publication of the first draft of the human genome in 2000, bioinformatic data have been accumulating at an overwhelming pace. Currently, more than 3 million sequences and 35 thousand structures of proteins and nucleic acids are available in public databases. Finding correlations in and between these data to answer critical research questions is extremely challenging. This problem needs to be approached from several directions: information science to organize and search the data; information visualization to assist in recognizing correlations; mathematics to formulate statistical inferences; and biology to analyze chemical and physical properties in terms of sequence and structure changes. Results Here we present MultiSeq, a unified bioinformatics analysis environment that allows one to organize, display, align and analyze both sequence and structure data for proteins and nucleic acids. While special emphasis is placed on analyzing the data within the framework of evolutionary biology, the environment is also flexible enough to accommodate other usage patterns. The evolutionary approach is supported by the use of predefined metadata, adherence to standard ontological mappings, and the ability for the user to adjust these classifications using an electronic notebook. MultiSeq contains a new algorithm to generate complete evolutionary profiles that represent the topology of the molecular phylogenetic tree of a homologous group of distantly related proteins. The method, based on the multidimensional QR factorization of multiple sequence and structure alignments, removes redundancy from the alignments and orders the protein sequences by increasing linear dependence, resulting in the identification of a minimal basis set of sequences that spans the evolutionary space of the homologous group of proteins. Conclusion MultiSeq is a major extension of the Multiple Alignment tool that is provided as part of VMD, a structural

Structure-function relationship of viral coat proteins : a site-directed spectroscopic study of M13 coat protein

NARCIS (Netherlands)

Stopar, D.

1997-01-01

This thesis describes the results of a spectroscopic study of the major coat protein of bacteriophage M13. During the infection process this protein is incorporated into the cytoplasmic membrane of Escherichia coli host cells. To specifically monitor the local structural changes

Multi-scale structuration of the electrode-electrolyte interface for applications in bio-electro-catalysis; Structuration multi-echelle de l'interface electrode-electrolyte pour des applications en bioelectrocatalyse

Energy Technology Data Exchange (ETDEWEB)

Kuhn, A. [Bordeaux-1 Univ., LACReM, ENSCPB, 33 - Pessac (France)

2006-07-01

In this work, two approaches have been combined to elaborate bio-functionalized interfaces having an original structure and well defined at several characteristic scales. These two approaches are 1)the growth of conducting or non conducting materials through organized structures and 2)the chemistry of non-covalent intermolecular bonds leading to the assembling of molecules towards interfacial structures having greatest size. With a deep physico-chemical characterization, it has been possible to understand the properties of these multi-scale structures and to propose different applications fields as for instance bio-electro-catalysis or photovoltaic cells. (O.M.)

A GIS-based multi-source and multi-box modeling approach (GMSMB) for air pollution assessment--a North American case study.

Science.gov (United States)

Wang, Bao-Zhen; Chen, Zhi

2013-01-01

This article presents a GIS-based multi-source and multi-box modeling approach (GMSMB) to predict the spatial concentration distributions of airborne pollutant on local and regional scales. In this method, an extended multi-box model combined with a multi-source and multi-grid Gaussian model are developed within the GIS framework to examine the contributions from both point- and area-source emissions. By using GIS, a large amount of data including emission sources, air quality monitoring, meteorological data, and spatial location information required for air quality modeling are brought into an integrated modeling environment. It helps more details of spatial variation in source distribution and meteorological condition to be quantitatively analyzed. The developed modeling approach has been examined to predict the spatial concentration distribution of four air pollutants (CO, NO(2), SO(2) and PM(2.5)) for the State of California. The modeling results are compared with the monitoring data. Good agreement is acquired which demonstrated that the developed modeling approach could deliver an effective air pollution assessment on both regional and local scales to support air pollution control and management planning.

The evaluation of multi-structure, multi-atlas pelvic anatomy features in a prostate MR lymphography CAD system

Science.gov (United States)

Meijs, M.; Debats, O.; Huisman, H.

2015-03-01

In prostate cancer, the detection of metastatic lymph nodes indicates progression from localized disease to metastasized cancer. The detection of positive lymph nodes is, however, a complex and time consuming task for experienced radiologists. Assistance of a two-stage Computer-Aided Detection (CAD) system in MR Lymphography (MRL) is not yet feasible due to the large number of false positives in the first stage of the system. By introducing a multi-structure, multi-atlas segmentation, using an affine transformation followed by a B-spline transformation for registration, the organ location is given by a mean density probability map. The atlas segmentation is semi-automatically drawn with ITK-SNAP, using Active Contour Segmentation. Each anatomic structure is identified by a label number. Registration is performed using Elastix, using Mutual Information and an Adaptive Stochastic Gradient optimization. The dataset consists of the MRL scans of ten patients, with lymph nodes manually annotated in consensus by two expert readers. The feature map of the CAD system consists of the Multi-Atlas and various other features (e.g. Normalized Intensity and multi-scale Blobness). The voxel-based Gentleboost classifier is evaluated using ROC analysis with cross validation. We show in a set of 10 studies that adding multi-structure, multi-atlas anatomical structure likelihood features improves the quality of the lymph node voxel likelihood map. Multiple structure anatomy maps may thus make MRL CAD more feasible.

A Review of Structure Construction of Silk Fibroin Biomaterials from Single Structures to Multi-Level Structures

Directory of Open Access Journals (Sweden)

Yu Qi

2017-03-01

Full Text Available The biological performance of artificial biomaterials is closely related to their structure characteristics. Cell adhesion, migration, proliferation, and differentiation are all strongly affected by the different scale structures of biomaterials. Silk fibroin (SF, extracted mainly from silkworms, has become a popular biomaterial due to its excellent biocompatibility, exceptional mechanical properties, tunable degradation, ease of processing, and sufficient supply. As a material with excellent processability, SF can be processed into various forms with different structures, including particulate, fiber, film, and three-dimensional (3D porous scaffolds. This review discusses and summarizes the various constructions of SF-based materials, from single structures to multi-level structures, and their applications. In combination with single structures, new techniques for creating special multi-level structures of SF-based materials, such as micropatterning and 3D-printing, are also briefly addressed.

Structural damage detection-oriented multi-type sensor placement with multi-objective optimization

Science.gov (United States)

Lin, Jian-Fu; Xu, You-Lin; Law, Siu-Seong

2018-05-01

A structural damage detection-oriented multi-type sensor placement method with multi-objective optimization is developed in this study. The multi-type response covariance sensitivity-based damage detection method is first introduced. Two objective functions for optimal sensor placement are then introduced in terms of the response covariance sensitivity and the response independence. The multi-objective optimization problem is formed by using the two objective functions, and the non-dominated sorting genetic algorithm (NSGA)-II is adopted to find the solution for the optimal multi-type sensor placement to achieve the best structural damage detection. The proposed method is finally applied to a nine-bay three-dimensional frame structure. Numerical results show that the optimal multi-type sensor placement determined by the proposed method can avoid redundant sensors and provide satisfactory results for structural damage detection. The restriction on the number of each type of sensors in the optimization can reduce the searching space in the optimization to make the proposed method more effective. Moreover, how to select a most optimal sensor placement from the Pareto solutions via the utility function and the knee point method is demonstrated in the case study.

Information visualization for the Structural Complexity Management Approach

OpenAIRE

Maurer, Maik;Braun, Thomas;Lindemann, Udo

2017-01-01

The handling of complexity poses an important challenge and a success factor for product design. A considerable percentage of complexity results from dependencies between system elements – as adaptations to single system elements can cause far-reaching consequences. The Structural Complexity Management (SCM) approach provides a five-step procedure that supports users in the identification, acquisition, analysis and optimization of system dependencies. The approach covers the handling of multi...

Changing ‘Multi-Problem Families’ – Developing a Multi-Contextual Systemic Approach

Directory of Open Access Journals (Sweden)

2007-05-01

Full Text Available Over the past 30 years the Marlborough Family Service in London has pioneered multi-family work with marginalized families presenting simultaneously with abuse and neglect, family violence, substance misuse, educational failure and mental illness. The approach is based on a systemic multi-contextual mode and this chapter describes the evolving work, including the establishment of the first permanent multiple family day setting, specifically designed for and solely dedicated to the work with seemingly ‘hopeless’ families. The ingredients of ‘therapeutic assessments’ of parents and families are outlined and the importance of initial network meetings with professionals and family members is emphasized.

Optical and structural characterization of Ge clusters embedded in ZrO2

Science.gov (United States)

Agocs, E.; Zolnai, Z.; Rossall, A. K.; van den Berg, J. A.; Fodor, B.; Lehninger, D.; Khomenkova, L.; Ponomaryov, S.; Gudymenko, O.; Yukhymchuk, V.; Kalas, B.; Heitmann, J.; Petrik, P.

2017-11-01

The change of optical and structural properties of Ge nanoclusters in ZrO2 matrix have been investigated by spectroscopic ellipsometry versus annealing temperatures. Radio-frequency top-down magnetron sputtering approach was used to produce the samples of different types, i.e. single-layers of pure Ge, pure ZrO2 and Ge-rich-ZrO2 as well as multi-layers stacked of 40 periods of 5-nm-Ge-rich-ZrO2 layers alternated by 5-nm-ZrO2 ones. Germanium nanoclusters in ZrO2 host were formed by rapid-thermal annealing at 600-800 °C during 30 s in nitrogen atmosphere. Reference optical properties for pure ZrO2 and pure Ge have been extracted using single-layer samples. As-deposited multi-layer structures can be perfectly modeled using the effective medium theory. However, annealed multi-layers demonstrated a significant diffusion of elements that was confirmed by medium energy ion scattering measurements. This fact prevents fitting of such annealed structure either by homogeneous or by periodic multi-layer models.

Analytic hierarchy process-based approach for selecting a Pareto-optimal solution of a multi-objective, multi-site supply-chain planning problem

Science.gov (United States)

Ayadi, Omar; Felfel, Houssem; Masmoudi, Faouzi

2017-07-01

The current manufacturing environment has changed from traditional single-plant to multi-site supply chain where multiple plants are serving customer demands. In this article, a tactical multi-objective, multi-period, multi-product, multi-site supply-chain planning problem is proposed. A corresponding optimization model aiming to simultaneously minimize the total cost, maximize product quality and maximize the customer satisfaction demand level is developed. The proposed solution approach yields to a front of Pareto-optimal solutions that represents the trade-offs among the different objectives. Subsequently, the analytic hierarchy process method is applied to select the best Pareto-optimal solution according to the preferences of the decision maker. The robustness of the solutions and the proposed approach are discussed based on a sensitivity analysis and an application to a real case from the textile and apparel industry.

Construction and performance of a dilution-refrigerator based spectroscopic-imaging scanning tunneling microscope.

Science.gov (United States)

Singh, U R; Enayat, M; White, S C; Wahl, P

2013-01-01

We report on the set-up and performance of a dilution-refrigerator based spectroscopic imaging scanning tunneling microscope. It operates at temperatures below 10 mK and in magnetic fields up to 14T. The system allows for sample transfer and in situ cleavage. We present first-results demonstrating atomic resolution and the multi-gap structure of the superconducting gap of NbSe(2) at base temperature. To determine the energy resolution of our system we have measured a normal metal/vacuum/superconductor tunneling junction consisting of an aluminum tip on a gold sample. Our system allows for continuous measurements at base temperature on time scales of up to ≈170 h.

Multi-Cohort Stand Structural Classification: Ground- and LiDAR-based Approaches for Boreal Mixedwood and Black Spruce Forest Types of Northeastern Ontario

Science.gov (United States)

Kuttner, Benjamin George

Natural fire return intervals are relatively long in eastern Canadian boreal forests and often allow for the development of stands with multiple, successive cohorts of trees. Multi-cohort forest management (MCM) provides a strategy to maintain such multi-cohort stands that focuses on three broad phases of increasingly complex, post-fire stand development, termed "cohorts", and recommends different silvicultural approaches be applied to emulate different cohort types. Previous research on structural cohort typing has relied upon primarily subjective classification methods; in this thesis, I develop more comprehensive and objective methods for three common boreal mixedwood and black spruce forest types in northeastern Ontario. Additionally, I examine relationships between cohort types and stand age, productivity, and disturbance history and the utility of airborne LiDAR to retrieve ground-based classifications and to extend structural cohort typing from plot- to stand-levels. In both mixedwood and black spruce forest types, stand age and age-related deadwood features varied systematically with cohort classes in support of an age-based interpretation of increasing cohort complexity. However, correlations of stand age with cohort classes were surprisingly weak. Differences in site productivity had a significant effect on the accrual of increasingly complex multi-cohort stand structure in both forest types, especially in black spruce stands. The effects of past harvesting in predictive models of class membership were only significant when considered in isolation of age. As an age-emulation strategy, the three cohort model appeared to be poorly suited to black spruce forests where the accrual of structural complexity appeared to be more a function of site productivity than age. Airborne LiDAR data appear to be particularly useful in recovering plot-based cohort types and extending them to the stand-level. The main gradients of structural variability detected using Li

Spectroscopic Tools for Quantitative Studies of DNA Structure and Dynamics

DEFF Research Database (Denmark)

Preus, Søren

The main objective of this thesis is to develop quantitative fluorescence-based, spectroscopic tools for probing the 3D structure and dynamics of DNA and RNA. The thesis is founded on six peer-reviewed papers covering mainly the development, characterization and use of fluorescent nucleobase...... analogues. In addition, four software packages is presented for the simulation and quantitative analysis of time-resolved and steady-state UV-Vis absorption and fluorescence experiments....

Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.

Science.gov (United States)

Granovsky, Alexander A

2011-06-07

The distinctive desirable features, both mathematically and physically meaningful, for all partially contracted multi-state multi-reference perturbation theories (MS-MR-PT) are explicitly formulated. The original approach to MS-MR-PT theory, called extended multi-configuration quasi-degenerate perturbation theory (XMCQDPT), having most, if not all, of the desirable properties is introduced. The new method is applied at the second order of perturbation theory (XMCQDPT2) to the 1(1)A(')-2(1)A(') conical intersection in allene molecule, the avoided crossing in LiF molecule, and the 1(1)A(1) to 2(1)A(1) electronic transition in cis-1,3-butadiene. The new theory has several advantages compared to those of well-established approaches, such as second order multi-configuration quasi-degenerate perturbation theory and multi-state-second order complete active space perturbation theory. The analysis of the prevalent approaches to the MS-MR-PT theory performed within the framework of the XMCQDPT theory unveils the origin of their common inherent problems. We describe the efficient implementation strategy that makes XMCQDPT2 an especially useful general-purpose tool in the high-level modeling of small to large molecular systems. © 2011 American Institute of Physics

Application of Spectroscopic Methods for Structural Analysis of Chitin and Chitosan

Directory of Open Access Journals (Sweden)

Jolanta Kumirska

2010-04-01

Full Text Available Chitin, the second most important natural polymer in the world, and its N-deacetylated derivative chitosan, have been identified as versatile biopolymers for a broad range of applications in medicine, agriculture and the food industry. Two of the main reasons for this are firstly the unique chemical, physicochemical and biological properties of chitin and chitosan, and secondly the unlimited supply of raw materials for their production. These polymers exhibit widely differing physicochemical properties depending on the chitin source and the conditions of chitosan production. The presence of reactive functional groups as well as the polysaccharide nature of these biopolymers enables them to undergo diverse chemical modifications. A complete chemical and physicochemical characterization of chitin, chitosan and their derivatives is not possible without using spectroscopic techniques. This review focuses on the application of spectroscopic methods for the structural analysis of these compounds.

A case for multi-model and multi-approach based event attribution: The 2015 European drought

Science.gov (United States)

Hauser, Mathias; Gudmundsson, Lukas; Orth, René; Jézéquel, Aglaé; Haustein, Karsten; Seneviratne, Sonia Isabelle

2017-04-01

Science on the role of anthropogenic influence on extreme weather events such as heat waves or droughts has evolved rapidly over the past years. The approach of "event attribution" compares the occurrence probability of an event in the present, factual world with the probability of the same event in a hypothetical, counterfactual world without human-induced climate change. Every such analysis necessarily faces multiple methodological choices including, but not limited to: the event definition, climate model configuration, and the design of the counterfactual world. Here, we explore the role of such choices for an attribution analysis of the 2015 European summer drought (Hauser et al., in preparation). While some GCMs suggest that anthropogenic forcing made the 2015 drought more likely, others suggest no impact, or even a decrease in the event probability. These results additionally differ for single GCMs, depending on the reference used for the counterfactual world. Observational results do not suggest a historical tendency towards more drying, but the record may be too short to provide robust assessments because of the large interannual variability of drought occurrence. These results highlight the need for a multi-model and multi-approach framework in event attribution research. This is especially important for events with low signal to noise ratio and high model dependency such as regional droughts. Hauser, M., L. Gudmundsson, R. Orth, A. Jézéquel, K. Haustein, S.I. Seneviratne, in preparation. A case for multi-model and multi-approach based event attribution: The 2015 European drought.

Structural analysis of ITER multi-purpose deployer

International Nuclear Information System (INIS)

Manuelraj, Manoah Stephen; Dutta, Pramit; Gotewal, Krishan Kumar; Rastogi, Naveen; Tesini, Alessandro; Choi, Chang-Hwan

2016-01-01

Highlights: • System modelling for structural analysis of the Multi-Purpose Deployer (MPD). • Finite element modeling of the Multi-Purpose Deployer (MPD). • Static, modal and seismic response analysis of the Multi-Purpose Deployer (MPD). • Iterative structural analysis and design update to satisfy the structural criteria. • Modal analysis for various kinematic configurations. • Reaction force calculations on the interfacing systems. - Abstract: The Multi-Purpose Deployer (MPD) is a general purpose ITER in-vessel remote handling (RH) system. The main handling equipment, known as the MPD Transporter, consists of a series of linked bodies, which provide anchoring to the vacuum vessel port and an articulated multi-degree of freedom motion to perform various in-vessel maintenance tasks. During the in-vessel operations, the structural integrity of the system should be guaranteed against various operational and seismic loads. This paper presents the structural analysis results of the concept design of the MPD Transporter considering the seismic events. Static structural, modal and frequency response spectrum analyses have been performed to verify the structural integrity of the system, and to provide reaction forces to the interfacing systems such as vacuum vessel and cask. Iterative analyses and design updates are carried out based on the reference design of the system to improve the structural behavior of the system. The frequency responses of the system in various kinematics and payloads are assessed.

Phase Structure Of Fuzzy Field Theories And Multi trace Matrix Models

International Nuclear Information System (INIS)

Tekel, J.

2015-01-01

We review the interplay of fuzzy field theories and matrix models, with an emphasis on the phase structure of fuzzy scalar field theories. We give a self-contained introduction to these topics and give the details concerning the saddle point approach for the usual single trace and multi trace matrix models. We then review the attempts to explain the phase structure of the fuzzy field theory using a corresponding random matrix ensemble, showing the strength and weaknesses of this approach. We conclude with a list of challenges one needs to overcome and the most interesting open problems one can try to solve. (author)

Control of noise and structural vibration a MATLAB-based approach

CERN Document Server

Mao, Qibo

2013-01-01

Control of Noise and Structural Vibration presents a MATLAB®-based approach to solving the problems of undesirable noise generation and transmission by structures and of undesirable vibration within structures in response to environmental or operational forces. The fundamentals of acoustics, vibration and coupling between vibrating structures and the sound fields they generate are introduced including a discussion of the finite element method for vibration analysis. Following this, the treatment of sound and vibration control begins, illustrated by example systems such as beams, plates and double plate structures. Sensor and actuator placement is explained as is the idea of modal sensor–actuators. The design of appropriate feedback systems includes consideration of basic stability criteria and robust active structural acoustic control. Single and multi-mode positive position feedback (PPF) control systems are also described in the context of loudspeaker–duct model with non-collocated loudspeaker–microp...

Data fusion of multi-scale representations for structural damage detection

Science.gov (United States)

Guo, Tian; Xu, Zili

2018-01-01

Despite extensive researches into structural health monitoring (SHM) in the past decades, there are few methods that can detect multiple slight damage in noisy environments. Here, we introduce a new hybrid method that utilizes multi-scale space theory and data fusion approach for multiple damage detection in beams and plates. A cascade filtering approach provides multi-scale space for noisy mode shapes and filters the fluctuations caused by measurement noise. In multi-scale space, a series of amplification and data fusion algorithms are utilized to search the damage features across all possible scales. We verify the effectiveness of the method by numerical simulation using damaged beams and plates with various types of boundary conditions. Monte Carlo simulations are conducted to illustrate the effectiveness and noise immunity of the proposed method. The applicability is further validated via laboratory cases studies focusing on different damage scenarios. Both results demonstrate that the proposed method has a superior noise tolerant ability, as well as damage sensitivity, without knowing material properties or boundary conditions.

Development of laser atomic spectroscopic technology

International Nuclear Information System (INIS)

Lee, Jong Min; Ohr, Young Gie; Cha, Hyung Ki

1990-06-01

Some preliminary results on the resonant ionization spectroscopy for Na and Pb atoms are presents both in theory and in experiment. A single color multiphoton ionization process is theoretically analysed in detail, for the resonant and non-resonant cases, and several parameters determining the overall ionization rate are summarized. In particular, the AC stark shift, the line width and the non-linear coefficient of ionization rate are recalculated using the perturbation theory in resolvent approach. On the other hand, the fundamental equipments for spectroscopic experiments have been designed and manufactured, which include a Nd:YAG laser, a GIM-type dye laser, a vacuum system ionization cells, a heat pipe oven, and an ion current measuring system. The characteristics of the above equipments have also been examined. Using the spectroscopic data available, several ionization schemes are considered and the relative merits for ionization have been discussed. Moreover, the effects due to the buffer gas pressure, laser intensity, vapor density and electrode voltage have been investigated in detail. The experiments will be extended to multi-color processes with several resonances, and the ultimate goal is to develop a ultrasensitive analytical method for pollutive heavy metal atoms using the resonant ionization spectroscopy. (author)

A MULTI-OBJECTIVE APPROACH TO THE EVALUATION OF INNOVATIVE POTENTIAL OF THE TOURISM INDUSTRY ORGANIZATIONS

Directory of Open Access Journals (Sweden)

Tat’yana Pavlovna Levchenko

2018-02-01

Full Text Available Speaking about innovation in the tourism industry and hotel business, in particular, it usually means events of a systemic nature, with quality novelty, aimed at achieving positive changes, stable functioning and dynamic development. Along with general economic factors that determine the uneven demand for services of hospitality, it is explained by the sharp increase in dependence of their tourism and recreational opportunities from innovative potential (IP, capability of adapting to challenging competitive environment. The article considers a multi-objective approach to the study of the innovative potential of the tourism industry organizations. Its essence lies in the fact that the choice of the structural elements from the point of view of their value and importance (in any combination cannot be established a priori, without sufficient objective analysis on some of the more important criteria for achieving the goals. A diagnostic analysis and evaluation of the innovation potential of several hotel organizations from the standpoint of a multi-purpose approach is performed.

A multi-objective approach for developing national energy efficiency plans

International Nuclear Information System (INIS)

Haydt, Gustavo; Leal, Vítor; Dias, Luís

2014-01-01

This paper proposes a new approach to deal with the problem of building national energy efficiency (EE) plans, considering multiple objectives instead of only energy savings. The objectives considered are minimizing the influence of energy use on climate change, minimizing the financial risk from the investment, maximizing the security of energy supply, minimizing investment costs, minimizing the impacts of building new power plants and transmission infrastructures, and maximizing the local air quality. These were identified through literature review and interaction with real decision makers. A database of measures is established, from which millions of potential EE plans can be built by combining measures and their respective degree of implementation. Finally, a hybrid multi-objective and multi-criteria decision analysis (MCDA) model is proposed to search and select the EE plans that best match the decision makers’ preferences. An illustration of the working mode and the type of results obtained from this novel hybrid model is provided through an application to Portugal. For each of five decision perspectives a wide range of potential best plans were identified. These wide ranges show the relevance of introducing multi-objective analysis in a comprehensive search space as a tool to inform decisions about national EE plans. - Highlights: • A multiple objective approach to aid the choice of national energy efficiency plans. • A hybrid multi-objective MCDA model is proposed to search among the possible plans. • The model identified relevant plans according to five different idealized DMs. • The approach is tested with Portugal

Material properties identification using ultrasonic waves and laser Doppler vibrometer measurements: a multi-input multi-output approach

International Nuclear Information System (INIS)

Longo, R; Vanlanduit, S; Guillaume, P

2013-01-01

In this paper a multi-input multi-output approach able to determine the material properties of homogeneous materials is presented. To do so, an experimental set-up which combines the use of multi harmonic signals with interleaved frequencies and laser Doppler vibrometer measurements has been developed. A modeling technique, based on transmission and reflection measurements, allowed the simultaneous determination of longitudinal wave velocity, density and thickness of the materials under test with high levels of precision and accuracy. (paper)

Tomographic Reconstruction from a Few Views: A Multi-Marginal Optimal Transport Approach

Energy Technology Data Exchange (ETDEWEB)

Abraham, I., E-mail: isabelle.abraham@cea.fr [CEA Ile de France (France); Abraham, R., E-mail: romain.abraham@univ-orleans.fr; Bergounioux, M., E-mail: maitine.bergounioux@univ-orleans.fr [Université d’Orléans, UFR Sciences, MAPMO, UMR 7349 (France); Carlier, G., E-mail: carlier@ceremade.dauphine.fr [CEREMADE, UMR CNRS 7534, Université Paris IX Dauphine, Pl. de Lattre de Tassigny (France)

2017-02-15

In this article, we focus on tomographic reconstruction. The problem is to determine the shape of the interior interface using a tomographic approach while very few X-ray radiographs are performed. We use a multi-marginal optimal transport approach. Preliminary numerical results are presented.

Renewable energy projects: structuring a multi-criteria group decision making framework

Energy Technology Data Exchange (ETDEWEB)

Haralambopoulos, D.A.; Polatiidis, H. [UnIversity of the Aegean, Mytilene (Greece). Dept. of Environmental Studies

2003-05-01

This paper describes an applicable group decision-making framework for assisting with multi-criteria analysis in renewable energy projects, utilizing the PROMETHEE II outranking method. The proposed framework is tested in a case study concerning the exploitation of a geothermal resource, located in the island of Chios, Greece. The presented structure provides a serial, decomposed agenda and enhances overall process transparency. Additional, innovatory elements are the incorporation of differing levels of resource exploitation within the decision framework and the direct determination of the PROMETHEE preference thresholds. The developed methodology provides a user-friendly approach, promotes the synergy between different actors, and could pave a way towards consensus. (Author)

Intermolecular interaction of fosinopril with bovine serum albumin (BSA): The multi-spectroscopic and computational investigation.

Science.gov (United States)

Zhou, Kai-Li; Pan, Dong-Qi; Lou, Yan-Yue; Shi, Jie-Hua

2018-04-16

The intermolecular interaction of fosinopril, an angiotensin converting enzyme inhibitor with bovine serum albumin (BSA), has been investigated in physiological buffer (pH 7.4) by multi-spectroscopic methods and molecular docking technique. The results obtained from fluorescence and UV absorption spectroscopy revealed that the fluorescence quenching mechanism of BSA induced by fosinopril was mediated by the combined dynamic and static quenching, and the static quenching was dominant in this system. The binding constant, K b , value was found to lie between 2.69 × 10 3 and 9.55 × 10 3  M -1 at experimental temperatures (293, 298, 303, and 308 K), implying the low or intermediate binding affinity between fosinopril and BSA. Competitive binding experiments with site markers (phenylbutazone and diazepam) suggested that fosinopril preferentially bound to the site I in sub-domain IIA on BSA, as evidenced by molecular docking analysis. The negative sign for enthalpy change (ΔH 0 ) and entropy change (ΔS 0 ) indicated that van der Waals force and hydrogen bonds played important roles in the fosinopril-BSA interaction, and 8-anilino-1-naphthalenesulfonate binding assay experiments offered evidence of the involvements of hydrophobic interactions. Moreover, spectroscopic results (synchronous fluorescence, 3-dimensional fluorescence, and Fourier transform infrared spectroscopy) indicated a slight conformational change in BSA upon fosinopril interaction. Copyright © 2018 John Wiley & Sons, Ltd.

PUMA Development through a Multi physics Approach

International Nuclear Information System (INIS)

Cheon, Jinsik; Kim, Junehyung; Lee, Byoungoon; Lee, Chanbock

2013-01-01

Meanwhile advances of numerical methods make it possible for the multi physics problem to be solved in a fully coupled way. In addition to a multidimensional, multi physical approach, a nuclear fuel performance analysis code, which is 1D code, should be improved by accommodating the state-of-the-art in the numerical analysis to support current fuel design and performance analysis. In particular, the coupling between the mechanical equilibrium equation and a set of numerically stiff kinetics equations for fission gas release is of great importance for a multi physics simulation of nuclear fuel. Instead, coupling between temperature and fuel constituent was found to be made with a relative ease by employing an ordinary differential equations solver. As an effort for a new SFR metal fuel performance analysis code, called PUMA (Performance of Uranium Metal fuel rod Analysis code), the deformation of U-Zr fuel for SFR in connection with a fission gas release model is analyzed. A finite element analyses for purely mechanical problems are performed using a backward differentiation formula, and are subjected to scrupulous verification with Abaqus. Then mechanical equilibrium equation and the equations for fission gas release are coupled with the same differential-algebraic equations (DAE) solver

A multi-user selective undo/redo approach for collaborative CAD systems

Directory of Open Access Journals (Sweden)

Yuan Cheng

2014-04-01

Full Text Available The engineering design process is a creative process, and the designers must repeatedly apply Undo/Redo operations to modify CAD models to explore new solutions. Undo/Redo has become one of most important functions in interactive graphics and CAD systems. Undo/Redo in a collaborative CAD system is also very helpful for collaborative awareness among a group of cooperative designers to eliminate misunderstanding and to recover from design error. However, Undo/Redo in a collaborative CAD system is much more complicated. This is because a single erroneous operation is propagated to other remote sites, and operations are interleaved at different sites. This paper presents a multi-user selective Undo/Redo approach in full distributed collaborative CAD systems. We use site ID and State Vectors to locate the Undo/Redo target at each site. By analyzing the composition of the complex CAD model, a tree-like structure called Feature Combination Hierarchy is presented to describe the decomposition of a CAD model. Based on this structure, the dependency relationship among features is clarified. B-Rep re-evaluation is simplified with the assistance of the Feature Combination Hierarchy. It can be proven that the proposed Undo/Redo approach satisfies the intention preservation and consistency maintenance correctness criteria for collaborative systems.

Structural health monitoring using DOG multi-scale space: an approach for analyzing damage characteristics

Science.gov (United States)

Guo, Tian; Xu, Zili

2018-03-01

Measurement noise is inevitable in practice; thus, it is difficult to identify defects, cracks or damage in a structure while suppressing noise simultaneously. In this work, a novel method is introduced to detect multiple damage in noisy environments. Based on multi-scale space analysis for discrete signals, a method for extracting damage characteristics from the measured displacement mode shape is illustrated. Moreover, the proposed method incorporates a data fusion algorithm to further eliminate measurement noise-based interference. The effectiveness of the method is verified by numerical and experimental methods applied to different structural types. The results demonstrate that there are two advantages to the proposed method. First, damage features are extracted by the difference of the multi-scale representation; this step is taken such that the interference of noise amplification can be avoided. Second, a data fusion technique applied to the proposed method provides a global decision, which retains the damage features while maximally eliminating the uncertainty. Monte Carlo simulations are utilized to validate that the proposed method has a higher accuracy in damage detection.

Spectroscopic Surveys with the ELT: A Gigantic Step into the Deep Universe

Science.gov (United States)

Evans, C.; Puech, M.; Hammer, F.; Gallego, J.; Sánchez, A.; García, L.; Iglesias, J.

2018-03-01

The Phase A design of MOSAIC, a powerful multi-object spectrograph intended for ESO's Extremely Large Telescope, concluded in late 2017. With the design complete, a three-day workshop was held last October in Toledo to discuss the breakthrough spectroscopic surveys that MOSAIC can deliver across a broad range of contemporary astronomy.

Multi-Objective Optimal Design of a Building Envelope and Structural System Using Cyber-Physical Modeling in a Wind Tunnel

Directory of Open Access Journals (Sweden)

Michael L. Whiteman

2018-03-01

Full Text Available This paper explores the use of a cyber-physical systems (CPS “loop-in-the-model” approach to optimally design the envelope and structural system of low-rise buildings subject to wind loads. Both the components and cladding (C&C and the main wind force resisting system (MWFRS are considered through multi-objective optimization. The CPS approach combines the physical accuracy of wind tunnel testing and efficiency of numerical optimization algorithms to obtain an optimal design. The approach is autonomous: experiments are executed in a boundary layer wind tunnel (BLWT, sensor feedback is monitored and analyzed by a computer, and optimization algorithms dictate physical changes to the structural model in the BLWT through actuators. To explore a CPS approach to multi-objective optimization, a low-rise building with a parapet wall of variable height is considered. In the BLWT, servo-motors are used to adjust the parapet to a particular height. Parapet walls alter the location of the roof corner vortices, reducing suction loads on the windward facing roof corners and edges, a C&C design load. At the same time, parapet walls increase the surface area of the building, leading to an increase in demand on the MWFRS. A combination of non-stochastic and stochastic optimization algorithms were implemented to minimize the magnitude of suction and positive pressures on the roof of a low-rise building model, followed by stochastic multi-objective optimization to simultaneously minimize the magnitude of suction pressures and base shear. Experiments were conducted at the University of Florida Experimental Facility (UFEF of the National Science Foundation’s (NSF Natural Hazard Engineering Research Infrastructure (NHERI program.

Multi-symplectic Birkhoffian structure for PDEs with dissipation terms

International Nuclear Information System (INIS)

Su Hongling; Qin Mengzhao; Wang Yushun; Scherer, Rudolf

2010-01-01

A generalization of the multi-symplectic form for Hamiltonian systems to self-adjoint systems with dissipation terms is studied. These systems can be expressed as multi-symplectic Birkhoffian equations, which leads to a natural definition of Birkhoffian multi-symplectic structure. The concept of Birkhoffian multi-symplectic integrators for Birkhoffian PDEs is investigated. The Birkhoffian multi-symplectic structure is constructed by the continuous variational principle, and the Birkhoffian multi-symplectic integrator by the discrete variational principle. As an example, two Birkhoffian multi-symplectic integrators for the equation describing a linear damped string are given.

Structural Considerations of a 20MW Multi-Rotor Wind Energy System

International Nuclear Information System (INIS)

Jamieson, P; Branney, M

2014-01-01

The drive to upscale offshore wind turbines relates especially to possiblereductions in O and M and electrical interconnection costs per MW of installed capacity.Even with best current technologies, designs with rated capacity above about 3 MW are less cost effective exfactory per rated MW(turbine system costs) than smaller machines.Very large offshore wind turbines are thereforejustifiedprimarily by overall offshore project economics. Furthermore, continuing progress in materials and structures has been essential to avoid severe penalties in the power/mass ratio of large multi-MW machines.The multi-rotor concept employs many small rotors to maximise energy capture area withminimum systemvolume. Previous work has indicated that this can enablea very large reduction in the total weight and cost of rotors and drive trains compared to an equivalent large single rotor system.Thus the multi rotor concept may enable rated capacities of 20 MW or more at a single maintenancesite. Establishing the cost benefit of a multi rotor system requires examination of solutions for the support structure and yawing, ensuring aerodynamic losses from rotor interaction are not significant and that overall logistics, with much increased part count (more reliable components) and less consequence of single failuresare favourable. This paper addresses the viability of a support structure in respect of structural concept and likely weight as one necessary step in exploring the potential of the multi rotor concept

Structural Considerations of a 20MW Multi-Rotor Wind Energy System

Science.gov (United States)

Jamieson, P.; Branney, M.

2014-12-01

The drive to upscale offshore wind turbines relates especially to possiblereductions in O&M and electrical interconnection costs per MW of installed capacity.Even with best current technologies, designs with rated capacity above about 3 MW are less cost effective exfactory per rated MW(turbine system costs) than smaller machines.Very large offshore wind turbines are thereforejustifiedprimarily by overall offshore project economics. Furthermore, continuing progress in materials and structures has been essential to avoid severe penalties in the power/mass ratio of large multi-MW machines.The multi-rotor concept employs many small rotors to maximise energy capture area withminimum systemvolume. Previous work has indicated that this can enablea very large reduction in the total weight and cost of rotors and drive trains compared to an equivalent large single rotor system.Thus the multi rotor concept may enable rated capacities of 20 MW or more at a single maintenancesite. Establishing the cost benefit of a multi rotor system requires examination of solutions for the support structure and yawing, ensuring aerodynamic losses from rotor interaction are not significant and that overall logistics, with much increased part count (more reliable components) and less consequence of single failuresare favourable. This paper addresses the viability of a support structure in respect of structural concept and likely weight as one necessary step in exploring the potential of the multi rotor concept.

Multi-atlas pancreas segmentation: Atlas selection based on vessel structure.

Science.gov (United States)

Karasawa, Ken'ichi; Oda, Masahiro; Kitasaka, Takayuki; Misawa, Kazunari; Fujiwara, Michitaka; Chu, Chengwen; Zheng, Guoyan; Rueckert, Daniel; Mori, Kensaku

2017-07-01

Automated organ segmentation from medical images is an indispensable component for clinical applications such as computer-aided diagnosis (CAD) and computer-assisted surgery (CAS). We utilize a multi-atlas segmentation scheme, which has recently been used in different approaches in the literature to achieve more accurate and robust segmentation of anatomical structures in computed tomography (CT) volume data. Among abdominal organs, the pancreas has large inter-patient variability in its position, size and shape. Moreover, the CT intensity of the pancreas closely resembles adjacent tissues, rendering its segmentation a challenging task. Due to this, conventional intensity-based atlas selection for pancreas segmentation often fails to select atlases that are similar in pancreas position and shape to those of the unlabeled target volume. In this paper, we propose a new atlas selection strategy based on vessel structure around the pancreatic tissue and demonstrate its application to a multi-atlas pancreas segmentation. Our method utilizes vessel structure around the pancreas to select atlases with high pancreatic resemblance to the unlabeled volume. Also, we investigate two types of applications of the vessel structure information to the atlas selection. Our segmentations were evaluated on 150 abdominal contrast-enhanced CT volumes. The experimental results showed that our approach can segment the pancreas with an average Jaccard index of 66.3% and an average Dice overlap coefficient of 78.5%. Copyright © 2017 Elsevier B.V. All rights reserved.

Development of a low activation concrete shielding wall by multi-layered structure for a fusion reactor

International Nuclear Information System (INIS)

Sato, Satoshi; Maegawa, Toshio; Yoshimatsu, Kenji; Sato, Koichi; Nonaka, Akira; Takakura, Kosuke; Ochiai, Kentaro; Konno, Chikara

2011-01-01

A multi-layered concrete structure has been developed to reduce induced activity in the shielding for neutron generating facilities such as a fusion reactor. The multi-layered concrete structure is composed of: (1) an inner low activation concrete, (2) a boron-doped low activation concrete as the second layer, and (3) ordinary concrete as the outer layer of the neutron shield. With the multi-layered concrete structure the volume of boron is drastically decreased compared to a monolithic boron-doped concrete. A 14 MeV neutron shielding experiment with multi-layered concrete structure mockups was performed at FNS and several reaction rates and induced activity in the mockups were measured. This demonstrated that the multi-layered concrete effectively reduced low energy neutrons and induced activity.

PMHT Approach for Multi-Target Multi-Sensor Sonar Tracking in Clutter.

Science.gov (United States)

Li, Xiaohua; Li, Yaan; Yu, Jing; Chen, Xiao; Dai, Miao

2015-11-06

Multi-sensor sonar tracking has many advantages, such as the potential to reduce the overall measurement uncertainty and the possibility to hide the receiver. However, the use of multi-target multi-sensor sonar tracking is challenging because of the complexity of the underwater environment, especially the low target detection probability and extremely large number of false alarms caused by reverberation. In this work, to solve the problem of multi-target multi-sensor sonar tracking in the presence of clutter, a novel probabilistic multi-hypothesis tracker (PMHT) approach based on the extended Kalman filter (EKF) and unscented Kalman filter (UKF) is proposed. The PMHT can efficiently handle the unknown measurements-to-targets and measurements-to-transmitters data association ambiguity. The EKF and UKF are used to deal with the high degree of nonlinearity in the measurement model. The simulation results show that the proposed algorithm can improve the target tracking performance in a cluttered environment greatly, and its computational load is low.

Multi-frequency complex network from time series for uncovering oil-water flow structure.

Science.gov (United States)

Gao, Zhong-Ke; Yang, Yu-Xuan; Fang, Peng-Cheng; Jin, Ning-De; Xia, Cheng-Yi; Hu, Li-Dan

2015-02-04

Uncovering complex oil-water flow structure represents a challenge in diverse scientific disciplines. This challenge stimulates us to develop a new distributed conductance sensor for measuring local flow signals at different positions and then propose a novel approach based on multi-frequency complex network to uncover the flow structures from experimental multivariate measurements. In particular, based on the Fast Fourier transform, we demonstrate how to derive multi-frequency complex network from multivariate time series. We construct complex networks at different frequencies and then detect community structures. Our results indicate that the community structures faithfully represent the structural features of oil-water flow patterns. Furthermore, we investigate the network statistic at different frequencies for each derived network and find that the frequency clustering coefficient enables to uncover the evolution of flow patterns and yield deep insights into the formation of flow structures. Current results present a first step towards a network visualization of complex flow patterns from a community structure perspective.

SPT-GMOS: A GEMINI/GMOS-SOUTH SPECTROSCOPIC SURVEY OF GALAXY CLUSTERS IN THE SPT-SZ SURVEY

International Nuclear Information System (INIS)

Bayliss, M. B.; Ruel, J.; Stubbs, C. W.; Allen, S. W.; Applegate, D. E.; Ashby, M. L. N.; Bautz, M.; Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Crawford, T. M.; Bleem, L. E.; Bocquet, S.; Brodwin, M.; Capasso, R.; Chiu, I.; Cho, H-M.; Clocchiatti, A.; Crites, A. T.; Haan, T. de

2016-01-01

We present the results of SPT-GMOS, a spectroscopic survey with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South. The targets of SPT-GMOS are galaxy clusters identified in the SPT-SZ survey, a millimeter-wave survey of 2500 deg 2 of the southern sky using the South Pole Telescope (SPT). Multi-object spectroscopic observations of 62 SPT-selected galaxy clusters were performed between 2011 January and 2015 December, yielding spectra with radial velocity measurements for 2595 sources. We identify 2243 of these sources as galaxies, and 352 as stars. Of the galaxies, we identify 1579 as members of SPT-SZ galaxy clusters. The primary goal of these observations was to obtain spectra of cluster member galaxies to estimate cluster redshifts and velocity dispersions. We describe the full spectroscopic data set and resulting data products, including galaxy redshifts, cluster redshifts, and velocity dispersions, and measurements of several well-known spectral indices for each galaxy: the equivalent width, W , of [O ii] λλ 3727, 3729 and H- δ , and the 4000 Å break strength, D4000. We use the spectral indices to classify galaxies by spectral type (i.e., passive, post-starburst, star-forming), and we match the spectra against photometric catalogs to characterize spectroscopically observed cluster members as a function of brightness (relative to m ⋆ ). Finally, we report several new measurements of redshifts for ten bright, strongly lensed background galaxies in the cores of eight galaxy clusters. Combining the SPT-GMOS data set with previous spectroscopic follow-up of SPT-SZ galaxy clusters results in spectroscopic measurements for >100 clusters, or ∼20% of the full SPT-SZ sample.

SPT-GMOS: A Gemini/GMOS-South Spectroscopic Survey of Galaxy Clusters in the SPT-SZ Survey

Science.gov (United States)

Bayliss, M. B.; Ruel, J.; Stubbs, C. W.; Allen, S. W.; Applegate, D. E.; Ashby, M. L. N.; Bautz, M.; Benson, B. A.; Bleem, L. E.; Bocquet, S.; Brodwin, M.; Capasso, R.; Carlstrom, J. E.; Chang, C. L.; Chiu, I.; Cho, H.-M.; Clocchiatti, A.; Crawford, T. M.; Crites, A. T.; de Haan, T.; Desai, S.; Dietrich, J. P.; Dobbs, M. A.; Doucouliagos, A. N.; Foley, R. J.; Forman, W. R.; Garmire, G. P.; George, E. M.; Gladders, M. D.; Gonzalez, A. H.; Gupta, N.; Halverson, N. W.; Hlavacek-Larrondo, J.; Hoekstra, H.; Holder, G. P.; Holzapfel, W. L.; Hou, Z.; Hrubes, J. D.; Huang, N.; Jones, C.; Keisler, R.; Knox, L.; Lee, A. T.; Leitch, E. M.; von der Linden, A.; Luong-Van, D.; Mantz, A.; Marrone, D. P.; McDonald, M.; McMahon, J. J.; Meyer, S. S.; Mocanu, L. M.; Mohr, J. J.; Murray, S. S.; Padin, S.; Pryke, C.; Rapetti, D.; Reichardt, C. L.; Rest, A.; Ruhl, J. E.; Saliwanchik, B. R.; Saro, A.; Sayre, J. T.; Schaffer, K. K.; Schrabback, T.; Shirokoff, E.; Song, J.; Spieler, H. G.; Stalder, B.; Stanford, S. A.; Staniszewski, Z.; Stark, A. A.; Story, K. T.; Vanderlinde, K.; Vieira, J. D.; Vikhlinin, A.; Williamson, R.; Zenteno, A.

2016-11-01

We present the results of SPT-GMOS, a spectroscopic survey with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South. The targets of SPT-GMOS are galaxy clusters identified in the SPT-SZ survey, a millimeter-wave survey of 2500 deg2 of the southern sky using the South Pole Telescope (SPT). Multi-object spectroscopic observations of 62 SPT-selected galaxy clusters were performed between 2011 January and 2015 December, yielding spectra with radial velocity measurements for 2595 sources. We identify 2243 of these sources as galaxies, and 352 as stars. Of the galaxies, we identify 1579 as members of SPT-SZ galaxy clusters. The primary goal of these observations was to obtain spectra of cluster member galaxies to estimate cluster redshifts and velocity dispersions. We describe the full spectroscopic data set and resulting data products, including galaxy redshifts, cluster redshifts, and velocity dispersions, and measurements of several well-known spectral indices for each galaxy: the equivalent width, W, of [O II] λλ3727, 3729 and H-δ, and the 4000 Å break strength, D4000. We use the spectral indices to classify galaxies by spectral type (i.e., passive, post-starburst, star-forming), and we match the spectra against photometric catalogs to characterize spectroscopically observed cluster members as a function of brightness (relative to m⋆). Finally, we report several new measurements of redshifts for ten bright, strongly lensed background galaxies in the cores of eight galaxy clusters. Combining the SPT-GMOS data set with previous spectroscopic follow-up of SPT-SZ galaxy clusters results in spectroscopic measurements for >100 clusters, or ∼20% of the full SPT-SZ sample.

A multi-state coarse grained modeling approach for an intrinsically disordered peptide

Science.gov (United States)

Ramezanghorbani, Farhad; Dalgicdir, Cahit; Sayar, Mehmet

2017-09-01

Many proteins display a marginally stable tertiary structure, which can be altered via external stimuli. Since a majority of coarse grained (CG) models are aimed at structure prediction, their success for an intrinsically disordered peptide's conformational space with marginal stability and sensitivity to external stimuli cannot be taken for granted. In this study, by using the LKα 14 peptide as a test system, we demonstrate a bottom-up approach for constructing a multi-state CG model, which can capture the conformational behavior of this peptide in three distinct environments with a unique set of interaction parameters. LKα 14 is disordered in dilute solutions; however, it strictly adopts the α -helix conformation upon aggregation or when in contact with a hydrophobic/hydrophilic interface. Our bottom-up approach combines a generic base model, that is unbiased for any particular secondary structure, with nonbonded interactions which represent hydrogen bonds, electrostatics, and hydrophobic forces. We demonstrate that by using carefully designed all atom potential of mean force calculations from all three states of interest, one can get a balanced representation of the nonbonded interactions. Our CG model behaves intrinsically disordered in bulk water, folds into an α -helix in the presence of an interface or a neighboring peptide, and is stable as a tetrameric unit, successfully reproducing the all atom molecular dynamics simulations and experimental results.

Ab initio structural and spectroscopic study of HPS{sup x} and HSP{sup x} (x = 0,+1,−1) in the gas phase

Energy Technology Data Exchange (ETDEWEB)

Yaghlane, Saida Ben [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications – LSAMA, Université de Tunis, Tunis (Tunisia); Cotton, C. Eric; Francisco, Joseph S., E-mail: francisc@purdue.edu, E-mail: hochlaf@univ-mlv.fr [Department of Chemistry and Department of Earth and Atmospheric Science, Purdue University, West Lafayette, Indiana 49707 (United States); Linguerri, Roberto; Hochlaf, Majdi, E-mail: francisc@purdue.edu, E-mail: hochlaf@univ-mlv.fr [Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, Université Paris-Est, 5 bd Descartes, 77454 Marne-la-Vallée (France)

2013-11-07

Accurate ab initio computations of structural and spectroscopic parameters for the HPS/HSP molecules and corresponding cations and anions have been performed. For the electronic structure computations, standard and explicitly correlated coupled cluster techniques in conjunction with large basis sets have been adopted. In particular, we present equilibrium geometries, rotational constants, harmonic vibrational frequencies, adiabatic ionization energies, electron affinities, and, for the neutral species, singlet-triplet relative energies. Besides, the full-dimensional potential energy surfaces (PESs) for HPS{sup x} and HSP{sup x} (x = −1,0,1) systems have been generated at the standard coupled cluster level with a basis set of augmented quintuple-zeta quality. By applying perturbation theory to the calculated PESs, an extended set of spectroscopic constants, including τ, first-order centrifugal distortion and anharmonic vibrational constants has been obtained. In addition, the potentials have been used in a variational approach to deduce the whole pattern of vibrational levels up to 4000 cm{sup −1} above the minima of the corresponding PESs.

Regulated open multi-agent systems (ROMAS) a multi-agent approach for designing normative open systems

CERN Document Server

Garcia, Emilia; Botti, Vicente

2015-01-01

Addressing the open problem of engineering normative open systems using the multi-agent paradigm, normative open systems are explained as systems in which heterogeneous and autonomous entities and institutions coexist in a complex social and legal framework that can evolve to address the different and often conflicting objectives of the many stakeholders involved. Presenting  a software engineering approach which covers both the analysis and design of these kinds of systems, and which deals with the open issues in the area, ROMAS (Regulated Open Multi-Agent Systems) defines a specific multi-agent architecture, meta-model, methodology and CASE tool. This CASE tool is based on Model-Driven technology and integrates the graphical design with the formal verification of some properties of these systems by means of model checking techniques. Utilizing tables to enhance reader insights into the most important requirements for designing normative open multi-agent systems, the book also provides a detailed and easy t...

A two-stage stochastic programming approach for operating multi-energy systems

DEFF Research Database (Denmark)

Zeng, Qing; Fang, Jiakun; Chen, Zhe

2017-01-01

This paper provides a two-stage stochastic programming approach for joint operating multi-energy systems under uncertainty. Simulation is carried out in a test system to demonstrate the feasibility and efficiency of the proposed approach. The test energy system includes a gas subsystem with a gas...

A novel method for a multi-level hierarchical composite with brick-and-mortar structure.

Science.gov (United States)

Brandt, Kristina; Wolff, Michael F H; Salikov, Vitalij; Heinrich, Stefan; Schneider, Gerold A

2013-01-01

The fascination for hierarchically structured hard tissues such as enamel or nacre arises from their unique structure-properties-relationship. During the last decades this numerously motivated the synthesis of composites, mimicking the brick-and-mortar structure of nacre. However, there is still a lack in synthetic engineering materials displaying a true hierarchical structure. Here, we present a novel multi-step processing route for anisotropic 2-level hierarchical composites by combining different coating techniques on different length scales. It comprises polymer-encapsulated ceramic particles as building blocks for the first level, followed by spouted bed spray granulation for a second level, and finally directional hot pressing to anisotropically consolidate the composite. The microstructure achieved reveals a brick-and-mortar hierarchical structure with distinct, however not yet optimized mechanical properties on each level. It opens up a completely new processing route for the synthesis of multi-level hierarchically structured composites, giving prospects to multi-functional structure-properties relationships.

A novel method for a multi-level hierarchical composite with brick-and-mortar structure

Science.gov (United States)

Brandt, Kristina; Wolff, Michael F. H.; Salikov, Vitalij; Heinrich, Stefan; Schneider, Gerold A.

2013-07-01

The fascination for hierarchically structured hard tissues such as enamel or nacre arises from their unique structure-properties-relationship. During the last decades this numerously motivated the synthesis of composites, mimicking the brick-and-mortar structure of nacre. However, there is still a lack in synthetic engineering materials displaying a true hierarchical structure. Here, we present a novel multi-step processing route for anisotropic 2-level hierarchical composites by combining different coating techniques on different length scales. It comprises polymer-encapsulated ceramic particles as building blocks for the first level, followed by spouted bed spray granulation for a second level, and finally directional hot pressing to anisotropically consolidate the composite. The microstructure achieved reveals a brick-and-mortar hierarchical structure with distinct, however not yet optimized mechanical properties on each level. It opens up a completely new processing route for the synthesis of multi-level hierarchically structured composites, giving prospects to multi-functional structure-properties relationships.

Towards a Usability and Error "Safety Net": A Multi-Phased Multi-Method Approach to Ensuring System Usability and Safety.

Science.gov (United States)

Kushniruk, Andre; Senathirajah, Yalini; Borycki, Elizabeth

2017-01-01

The usability and safety of health information systems have become major issues in the design and implementation of useful healthcare IT. In this paper we describe a multi-phased multi-method approach to integrating usability engineering methods into system testing to ensure both usability and safety of healthcare IT upon widespread deployment. The approach involves usability testing followed by clinical simulation (conducted in-situ) and "near-live" recording of user interactions with systems. At key stages in this process, usability problems are identified and rectified forming a usability and technology-induced error "safety net" that catches different types of usability and safety problems prior to releasing systems widely in healthcare settings.

Important hydrodynamic and spectroscopic techniques in the field of chromatin structure

Energy Technology Data Exchange (ETDEWEB)

Olins, D. E.

1978-01-01

Combining hydrodynamic and spectroscopic techniques in the study of conformational states of ..nu../sub 1/ induced by a variety of perturbants has led us to a general coneption: the two structural domains of ..nu../sub 1/ (i.e., the DNA-rich outer shell and the ..cap alpha..-helix-rich apolar histone core) exhibit differential responsiveness. In general, the ..cap alpha..-helical regions are more resistant, than DNA conformation or ..nu../sub 1/ size and shape, to the perturbing effects of urea, decreased ionic strength and pH, trypsin treatment, or a variety of water-miscible organic solvents. There are a number of reasonable conceptual models to explain this differential responsiveness of the structural domains of ..nu../sub 1/.

HST Grism Confirmation of 16 Structures at 1.4 < z < 2.8 from the Clusters Around Radio-Loud AGN (CARLA) Survey

Science.gov (United States)

Noirot, Gaël; Stern, Daniel; Mei, Simona; Wylezalek, Dominika; Cooke, Elizabeth A.; De Breuck, Carlos; Galametz, Audrey; Hatch, Nina A.; Vernet, Joël; Brodwin, Mark; Eisenhardt, Peter; Gonzalez, Anthony H.; Jarvis, Matt; Rettura, Alessandro; Seymour, Nick; Stanford, S. A.

2018-05-01

We report spectroscopic results from our 40-orbit Hubble Space Telescope slitless grism spectroscopy program observing the 20 densest Clusters Around Radio-Loud AGN (CARLA) candidate galaxy clusters at 1.4 targeting 420 distant radio-loud AGN. We report the spectroscopic confirmation of 16 distant structures at 1.4 targeted powerful high-redshift radio-loud AGN. We also report the serendipitous discovery and spectroscopic confirmation of seven additional structures at 0.87 targeted radio-loud AGN. We find that 1010–1011 M ⊙ member galaxies of our confirmed CARLA structures form significantly fewer stars than their field counterparts at all redshifts within 1.4 ≤ z ≤ 2. We also observe higher star-forming activity in the structure cores up to z = 2, finding similar trends as cluster surveys at slightly lower redshifts (1.0 strategy of obtaining just two grism orbits per field only obtains spectroscopic confirmation of emission line galaxies. Deeper spectroscopy will be required to study the population of evolved, massive galaxies in these (forming) clusters. Lacking multi-band coverage of the fields, we adopt a very conservative approach of calling all confirmations “structures,” although we note that a number of features are consistent with some of them being bona fide galaxy clusters. Together this survey represents a unique and large homogenous sample of spectroscopically confirmed structures at high redshifts, potentially more than doubling the census of confirmed, massive clusters at z > 1.4.

Geometry-dependent DNA-TiO2 immobilization mechanism: A spectroscopic approach

Science.gov (United States)

Silva-Moraes, M. O.; Garcia-Basabe, Y.; de Souza, R. F. B.; Mota, A. J.; Passos, R. R.; Galante, D.; Fonseca Filho, H. D.; Romaguera-Barcelay, Y.; Rocco, M. L. M.; Brito, W. R.

2018-06-01

DNA nucleotides are used as a molecular recognition system on electrodes modified to be applied in the detection of various diseases, but immobilization mechanisms, as well as, charge transfers are not satisfactorily described in the literature. An electrochemical and spectroscopic study was carried out to characterize the molecular groups involved in the direct immobilization of DNA structures on the surface of nanostructured TiO2 with the aim of evaluating the influence of the geometrical aspects. X-ray photoelectron spectroscopy at O1s and P2p core levels indicate that immobilization of DNA samples occurs through covalent (Psbnd Osbnd Ti) bonds. X-ray absorption spectra at the Ti2p edge reinforce this conclusion. A new species at 138.5 eV was reported from P2p XPS spectra analysis which plays an important role in DNA-TiO2 immobilization. The Psbnd Osbnd Ti/Osbnd Ti ratio showed that quantitatively the DNA immobilization mechanism is dependent on their geometry, becoming more efficient for plasmid ds-DNA structures than for PCR ds-DNA structures. The analysis of photoabsorption spectra at C1s edge revealed that the molecular groups that participate in the C1s → LUMO electronic transitions have different pathways in the charge transfer processes at the DNA-TiO2 interface. Our results may contribute to additional studies of immobilization mechanisms understanding the influence of the geometry of different DNA molecules on nanostructured semiconductor and possible impact to the charge transfer processes with application in biosensors or aptamers.

Heterogeneous structure and solvation dynamics of DME/water binary mixtures: A combined spectroscopic and simulation investigation

Science.gov (United States)

Das Mahanta, Debasish; Rana, Debkumar; Patra, Animesh; Mukherjee, Biswaroop; Mitra, Rajib Kumar

2018-05-01

Water is often found in (micro)-heterogeneous environments and therefore it is necessary to understand their H-bonded network structure in such altered environments. We explore the structure and dynamics of water in its binary mixture with relatively less polar small biocompatible amphiphilic molecule 1,2-Dimethoxyethane (DME) by a combined spectroscopic and molecular dynamics (MD) simulation study. Picosecond (ps) resolved fluorescence spectroscopy using coumarin 500 as the fluorophore establishes a non-monotonic behaviour of the mixture. Simulation studies also explore the various possible H-bond formations between water and DME. The relative abundance of such different water species manifests the heterogeneity in the mixture.

Delay-insensitive Multi-ring Structures

DEFF Research Database (Denmark)

Sparsø, Jens; Staunstrup, Jørgen

1993-01-01

into larger multi-ring structures. For this restricted class of structures, it becomes possible - even for circuits of realistic size and complexity - to analyze the performance and establish an understanding of the bottlenecks. The paper combines a number of previously published results and techniques...

Multi-Criteria Approach in Multifunctional Building Design Process

Science.gov (United States)

Gerigk, Mateusz

2017-10-01

The paper presents new approach in multifunctional building design process. Publication defines problems related to the design of complex multifunctional buildings. Currently, contemporary urban areas are characterized by very intensive use of space. Today, buildings are being built bigger and contain more diverse functions to meet the needs of a large number of users in one capacity. The trends show the need for recognition of design objects in an organized structure, which must meet current design criteria. The design process in terms of the complex system is a theoretical model, which is the basis for optimization solutions for the entire life cycle of the building. From the concept phase through exploitation phase to disposal phase multipurpose spaces should guarantee aesthetics, functionality, system efficiency, system safety and environmental protection in the best possible way. The result of the analysis of the design process is presented as a theoretical model of the multifunctional structure. Recognition of multi-criteria model in the form of Cartesian product allows to create a holistic representation of the designed building in the form of a graph model. The proposed network is the theoretical base that can be used in the design process of complex engineering systems. The systematic multi-criteria approach makes possible to maintain control over the entire design process and to provide the best possible performance. With respect to current design requirements, there are no established design rules for multifunctional buildings in relation to their operating phase. Enrichment of the basic criteria with functional flexibility criterion makes it possible to extend the exploitation phase which brings advantages on many levels.

Interaction between ropinirole hydrochloride and aspirin with human serum albumin as binary and ternary systems by multi-spectroscopic, molecular modeling and zeta potential

International Nuclear Information System (INIS)

Mahaki, Hanie; Memarpoor-Yazdi, Mina; Chamani, Jamshidkhan; Reza Saberi, Mohammad

2013-01-01

The aim of the present study was to describe the competition of ropinirole hydrochloride (RP) and aspirin (ASA) in binding to human serum albumin (HSA) in physiological buffer (pH=7.4) using multi-spectroscopic, molecular modeling and zeta-potential measurements. Fluorescence analysis was used to define the binding and quenching properties of drug-HSA complexes in binary and ternary systems. Fluorescence spectroscopy showed that in the presence of RP, the binding constant of HSA–ASA was increased. Static quenching was confirmed to result in the fluorescence quenching and FRET. The effect of drugs on the conformation of HSA was analyzed using synchronous fluorescence spectroscopy, three-dimensional fluorescence spectra and circular dichroism (CD). The RLS method determined the critical aggregation concentration of drugs on HSA in binary and ternary systems that confirmed the zeta potential results. Structural modeling showed that the affinity of each of the drugs to HSA in binary and ternary systems confirms the spectroscopic results. - Highlights: ► We studied the interaction of ropinirole hydrochloride and aspirin with HSA. ► Molecular modeling and zeta-potential used to describe competitive interaction. ► We determined the critical induced aggregation concentration of both drugs on HSA. ► The binding mechanism of drugs as separate and simultaneous to HSA has been compared. ► The binding site of both drugs as simultaneous effects on HSA has been determined.

Detecting Multi-scale Structures in Chandra Images of Centaurus A

Science.gov (United States)

Karovska, M.; Fabbiano, G.; Elvis, M. S.; Evans, I. N.; Kim, D. W.; Prestwich, A. H.; Schwartz, D. A.; Murray, S. S.; Forman, W.; Jones, C.; Kraft, R. P.; Isobe, T.; Cui, W.; Schreier, E. J.

1999-12-01

Centaurus A (NGC 5128) is a giant early-type galaxy with a merger history, containing the nearest radio-bright AGN. Recent Chandra High Resolution Camera (HRC) observations of Cen A reveal X-ray multi-scale structures in this object with unprecedented detail and clarity. We show the results of an analysis of the Chandra data with smoothing and edge enhancement techniques that allow us to enhance and quantify the multi-scale structures present in the HRC images. These techniques include an adaptive smoothing algorithm (Ebeling et al 1999), and a multi-directional gradient detection algorithm (Karovska et al 1994). The Ebeling et al adaptive smoothing algorithm, which is incorporated in the CXC analysis s/w package, is a powerful tool for smoothing images containing complex structures at various spatial scales. The adaptively smoothed images of Centaurus A show simultaneously the high-angular resolution bright structures at scales as small as an arcsecond and the extended faint structures as large as several arc minutes. The large scale structures suggest complex symmetry, including a component possibly associated with the inner radio lobes (as suggested by the ROSAT HRI data, Dobereiner et al 1996), and a separate component with an orthogonal symmetry that may be associated with the galaxy as a whole. The dust lane and the x-ray ridges are very clearly visible. The adaptively smoothed images and the edge-enhanced images also suggest several filamentary features including a large filament-like structure extending as far as about 5 arcminutes to North-West.

Design, modeling and optimization of poly-air gap actuators with global coils: application to multi-rod linear structures; Conception, modelisation et optimisation des actionneurs polyentrefers a bobinages globaux: application aux structures lineaires multi-tiges

Energy Technology Data Exchange (ETDEWEB)

Cavarec, P.E.

2002-11-15

The aim of this thesis is the study and the conception of splitted structures of global coil synchronous machines for the maximization of specific torque or thrust. This concept of machine, called multi-air gap, is more precisely applied to the elaboration of a new linear multi-rods actuator. It is clearly connected to the context of direct drive solutions. First, a classification of different electromagnetic actuator families gives the particular place of multi-air gaps actuators. Then, a study, based on geometrical parameters optimizations, underlines the interest of that kind of topology for reaching very high specific forces and mechanical dynamics. A similitude law, governing those actuators, is then extracted. A study of mechanical behaviour, taking into account mechanic (tolerance) and normal forces (guidance), is carried out. Hence, methods for filtering the ripple force, and decreasing the parasitic forces without affecting the useful force are presented. This approach drives to the multi-rods structures. A prototype is then tested and validates the feasibility of that kind of devices, and the accuracy of the magnetic models. This motor, having only eight rods for an active volume of one litre, reaches an electromagnetic force of 1000 N in static conditions. A method for estimate optimal performances of multi-rods actuators under several mechanical stresses is presented. (author)

Quantitative multi-scale analysis of mineral distributions and fractal pore structures for a heterogeneous Junger Basin shale

International Nuclear Information System (INIS)

Wang, Y.D.; Ren, Y.Q.; Hu, T.; Deng, B.; Xiao, T.Q.; Liu, K.Y.; Yang, Y.S.

2016-01-01

Three dimensional (3D) characterization of shales has recently attracted wide attentions in relation to the growing importance of shale oil and gas. Obtaining a complete 3D compositional distribution of shale has proven to be challenging due to its multi-scale characteristics. A combined multi-energy X-ray micro-CT technique and data-constrained modelling (DCM) approach has been used to quantitatively investigate the multi-scale mineral and porosity distributions of a heterogeneous shale from the Junger Basin, northwestern China by sub-sampling. The 3D sub-resolution structures of minerals and pores in the samples are quantitatively obtained as the partial volume fraction distributions, with colours representing compositions. The shale sub-samples from two areas have different physical structures for minerals and pores, with the dominant minerals being feldspar and dolomite, respectively. Significant heterogeneities have been observed in the analysis. The sub-voxel sized pores form large interconnected clusters with fractal structures. The fractal dimensions of the largest clusters for both sub-samples were quantitatively calculated and found to be 2.34 and 2.86, respectively. The results are relevant in quantitative modelling of gas transport in shale reservoirs

A multi-method and multi-scale approach for estimating city-wide anthropogenic heat fluxes

Science.gov (United States)

Chow, Winston T. L.; Salamanca, Francisco; Georgescu, Matei; Mahalov, Alex; Milne, Jeffrey M.; Ruddell, Benjamin L.

2014-12-01

A multi-method approach estimating summer waste heat emissions from anthropogenic activities (QF) was applied for a major subtropical city (Phoenix, AZ). These included detailed, quality-controlled inventories of city-wide population density and traffic counts to estimate waste heat emissions from population and vehicular sources respectively, and also included waste heat simulations derived from urban electrical consumption generated by a coupled building energy - regional climate model (WRF-BEM + BEP). These component QF data were subsequently summed and mapped through Geographic Information Systems techniques to enable analysis over local (i.e. census-tract) and regional (i.e. metropolitan area) scales. Through this approach, local mean daily QF estimates compared reasonably versus (1.) observed daily surface energy balance residuals from an eddy covariance tower sited within a residential area and (2.) estimates from inventory methods employed in a prior study, with improved sensitivity to temperature and precipitation variations. Regional analysis indicates substantial variations in both mean and maximum daily QF, which varied with urban land use type. Average regional daily QF was ∼13 W m-2 for the summer period. Temporal analyses also indicated notable differences using this approach with previous estimates of QF in Phoenix over different land uses, with much larger peak fluxes averaging ∼50 W m-2 occurring in commercial or industrial areas during late summer afternoons. The spatio-temporal analysis of QF also suggests that it may influence the form and intensity of the Phoenix urban heat island, specifically through additional early evening heat input, and by modifying the urban boundary layer structure through increased turbulence.

M-line spectroscopic, spectroscopic ellipsometric and microscopic measurements of optical waveguides fabricated by MeV-energy N{sup +} ion irradiation for telecom applications

Energy Technology Data Exchange (ETDEWEB)

Bányász, I., E-mail: banyasz@sunserv.kfki.hu [Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O.B. 49, H-1525, Budapest (Hungary); Berneschi, S. [“Enrico Fermi” Center for Study and Research, Piazza del Viminale 2, 00184 Roma (Italy); MDF-Lab, “Nello Carrara” Institute of Applied Physics, IFAC-CNR, Via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy); Fried, M.; Lohner, T. [Institute of Technical Physics and Materials Science, Research Centre for Natural Sciences, Hungarian Academy of Sciences, P.O.B. 49, H-1525, Budapest (Hungary); Conti, G. Nunzi; Righini, G.C.; Pelli, S. [MDF-Lab, “Nello Carrara” Institute of Applied Physics, IFAC-CNR, Via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy); Zolnai, Z. [Institute of Technical Physics and Materials Science, Research Centre for Natural Sciences, Hungarian Academy of Sciences, P.O.B. 49, H-1525, Budapest (Hungary)

2013-08-31

Irradiation with N{sup +} ions of the 1.5–3.5 MeV energy range was applied to optical waveguide formation. Planar and channel waveguides have been fabricated in an Er-doped tungsten–tellurite glass, and in both types of bismuth germanate (BGO) crystals: Bi{sub 4}Ge{sub 3}O{sub 12} (eulytine) and Bi{sub 12}GeO{sub 20} (sillenite). Multi-wavelength m-line spectroscopy and spectroscopic ellipsometry were used for the characterisation of the ion beam irradiated waveguides. Planar waveguides fabricated in the Er-doped tungsten–tellurite glass using irradiation with N{sup +} ions at 3.5 MeV worked even at the 1550 nm telecommunication wavelength. 3.5 MeV N{sup +} ion irradiated planar waveguides in eulytine-type BGO worked up to 1550 nm and those in sillenite-type BGO worked up to 1330 nm. - Highlights: ► Waveguides were fabricated in glass and crystals using MeV energy N{sup +} ions. ► SRIM simulation and spectroscopic ellipsometry yielded similar waveguide structures. ► Multi-wavelength m-line spectroscopy was used to study the waveguides. ► Waveguides fabricated in an Er-doped tungsten–tellurite glass worked up to 1.5 μm. ► Waveguides in Bi{sub 12}GeO{sub 20} remained operative up to 1.5 μm.

Depression and suicidal behavior in adolescents: a multi-informant and multi-methods approach to diagnostic classification.

Directory of Open Access Journals (Sweden)

Andrew James Lewis

2014-07-01

Full Text Available Background: Informant discrepancies have been reported between parent and adolescent measures of depressive disorders and suicidality. We aimed to examine the concordance between adolescent and parent ratings of depressive disorder using both clinical interview and questionnaire measures and assess multi-informant and multi-method approaches to classification.Method: Within the context of assessment of eligibility for a randomized clinical trial, 50 parent–adolescent pairs (mean age of adolescents = 15.0 years were interviewed separately with a structured diagnostic interview for depression, the KID-SCID. Adolescent self-report and parent-report versions of the Strengths and Difficulties Questionnaire, the Short Mood and Feelings Questionnaire and the Depressive Experiences Questionnaire were also administered. We examined the diagnostic concordance rates of the parent vs. adolescent structured interview methods and the prediction of adolescent diagnosis via questionnaire methods.Results: Parent proxy reporting of adolescent depression and suicidal thoughts and behavior is not strongly concordant with adolescent report. Adolescent self-reported symptoms on depression scales provide a more accurate report of diagnosable adolescent depression than parent proxy reports of adolescent depressive symptoms. Adolescent self-report measures can be combined to improve the accuracy of classification. Parents tend to over report their adolescent’s depressive symptoms while under reporting their suicidal thoughts and behavior.Conclusion: Parent proxy report is clearly less reliable than the adolescent’s own report of their symptoms and subjective experiences, and could be considered inaccurate for research purposes. While parent report would still be sought clinically where an adolescent refuses to provide information, our findings suggest that parent reporting of adolescent suicidality should be interpreted with caution.

A diagnosis method for physical systems using a multi-modeling approach

International Nuclear Information System (INIS)

Thetiot, R.

2000-01-01

In this thesis we propose a method for diagnosis problem solving. This method is based on a multi-modeling approach describing both normal and abnormal behavior of a system. This modeling approach allows to represent a system at different abstraction levels (behavioral, functional and teleological. Fundamental knowledge is described according to a bond-graph representation. We show that bond-graph representation can be exploited in order to generate (completely or partially) the functional models. The different models of the multi-modeling approach allows to define the functional state of a system at different abstraction levels. We exploit this property to exonerate sub-systems for which the expected behavior is observed. The behavioral and functional descriptions of the remaining sub-systems are exploited hierarchically in a two steps process. In a first step, the abnormal behaviors explaining some observations are identified. In a second step, the remaining unexplained observations are used to generate conflict sets and thus the consistency based diagnoses. The modeling method and the diagnosis process have been applied to a Reactor Coolant Pump Sets. This application illustrates the concepts described in this thesis and shows its potentialities. (authors)

Interactions of structurally modified surfactants with reservoir minerals: Calorimetric, spectroscopic and electrokinetic study

Energy Technology Data Exchange (ETDEWEB)

Somasundaran, P.; Sivakumar, A.; Xu, Q.

1991-03-01

The objective of this project is to elucidate mechanisms of adsorption of structurally modified surfactants on reservoir minerals and to develop a full understanding of the effect of the surfactant structure on the nature of the adsorbed layers at the molecular level. An additional aim is to study the adsorption of surfactant mixtures on simple well-characterized minerals and on complex minerals representing real conditions. The practical goal of these studies is the identification of the optimum surfactant structures and their combinations for micellar flooding. In this work, the experiments on adsorption were focussed on the position of sulfonate and methyl groups on the aromatic ring of alkyl xylene sulfonates. A multi-pronged approach consisting of calorimetry, electrokinetics, wettability and spectroscopy is planned to elucidate the adsorption mechanism of surfactants and their mixtures on minerals such as alumina and kaolinite. 32 refs., 15 figs., 7 tabs.

Quality assurance in clinical trials : a multi-disciplinary approach

International Nuclear Information System (INIS)

Cornes, D.

2001-01-01

Full text: Multi-disciplinary groups, such as medical physicists and radiation therapists, which work effectively together, can ensure continued improvements in radiation therapy quality. The same is also true for clinical trials, which have the added complication of requiring multi-institutional participation to collate sufficient data to effectively assess treatment benefits. It can be difficult to manage quality across all aspects of a multi-disciplinary and multi-institutional trial. A planned system of quality assurance is necessary to provide support for participating centres and facilitate a collaborative approach. To ensure protocol compliance a good relationship between the clinical trial group and treatment centre is idea with definition of mutual goals and objectives before and during the trial, and ongoing consultation and feedback throughout the trial process. To ensure good quality data and maximise the validity of results the study protocol must be strictly adhered to. Because of the need for meticulous attention to detail, both in treatment delivery and standards of documentation, clinical trials are often seen to further complicate the process of delivery of radiation therapy treatment. The Declaration of Helsinki and Good Clinical Practise Guidelines (adopted in May 1996, ICH) provide 'international ethical and scientific standards for designing, conducting, recording and reporting clinical research' and multi-disciplinary groups in each participating centre should also adhere to these guidelines. Copyright (2001) Australasian College of Physical Scientists and Engineers in Medicine

3D-Mössbauer spectroscopic microscope for mc-Si solar cell evaluation

Energy Technology Data Exchange (ETDEWEB)

Ino, Y., E-mail: y-ino@ob.sist.ac.jp; Soejima, H.; Hayakawa, K.; Yukihira, K.; Tanaka, K.; Fujita, H.; Watanabe, T. [Shizuoka Institute of Science and Technology (Japan); Ogai, K.; Moriguchi, K.; Harada, Y. [APCO. Ltd. (Japan); Yoshida, Y. [Shizuoka Institute of Science and Technology (Japan)

2016-12-15

A 3D-Mössbauer Spectroscopic Microscope is developed to evaluate Fe impurities in multi-crystalline Si solar cells, which combines the Mössbauer spectroscopic microscope with a scanning electron microscope (SEM), an electron beam induced current (EBIC), an electron backscatter diffraction (EBSD), and an electron energy analyzer (HV-CSA). In addition, a new moving-coil-actuator with a liner encoder of 100 nm-resolution is incorporated for the operations with both a constant velocity and a constant acceleration mode successfully with the same precision as that obtained by the conventional transducers. Furthermore, a new multi-capillary X-ray lens is designed to achieve a γ-ray spot size less than 100 μm in diameter. The new microscope provides us to investigate the space correlation between Fe impurities and the lattice defects such as grain boundaries in multi-crystalline Si solar cells.

Deployment of a multi-link flexible structure

Science.gov (United States)

Na, Kyung-Su; Kim, Ji-Hwan

2006-06-01

Deployment of a multi-link beam structure undergoing locking is analyzed in the Timoshenko beam theory. In the modeling of the system, dynamic forces are assumed to be torques and restoring forces due to the torsion spring at each joint. Hamilton's principle is used to determine the equations of motion and the finite element method is adopted to analyze the system. Newmark time integration and Newton-Raphson iteration methods are used to solve for the non-linear equations of motion at each time step. The locking at the joints of the multi-link flexible structure is analyzed by the momentum balance method. Numerical results are compared with the previous experimental data. The angles and angular velocities of each joint, tip displacement, and velocity of each link are investigated to study the motions of the links at each time step. To analyze the effect of thickness on the motion of the link, the angle and the tip displacement of each link are compared according to the various slenderness ratios. Additionally, in order to investigate the effect of shear, the tip displacements of a Timoshenko beam are compared with those of an Euler-Bernoulli beam.

Multi-modal Social Networks: A MRF Learning Approach

Science.gov (United States)

2016-06-20

Network forensics: random infection vs spreading epidemic , Proceedings of ACM Sigmetrics. 11-JUN-12, London, UK. : , TOTAL: 4 06/09/2016 Received Paper...Multi-modal Social Networks A MRF Learning Approach The work primarily focused on two lines of research. 1. We propose new greedy algorithms...Box 12211 Research Triangle Park, NC 27709-2211 social networks , learning and inference REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT

A multi-resolution approach to heat kernels on discrete surfaces

KAUST Repository

Vaxman, Amir; Ben-Chen, Mirela; Gotsman, Craig

2010-01-01

process - limits this type of analysis to 3D models of modest resolution. We show how to use the unique properties of the heat kernel of a discrete two dimensional manifold to overcome these limitations. Combining a multi-resolution approach with a novel

A robust multi-frequency mixing algorithm for suppression of rivet signal in GMR inspection of riveted structures

Science.gov (United States)

Safdernejad, Morteza S.; Karpenko, Oleksii; Ye, Chaofeng; Udpa, Lalita; Udpa, Satish

2016-02-01

The advent of Giant Magneto-Resistive (GMR) technology permits development of novel highly sensitive array probes for Eddy Current (EC) inspection of multi-layer riveted structures. Multi-frequency GMR measurements with different EC pene-tration depths show promise for detection of bottom layer notches at fastener sites. However, the distortion of the induced magnetic field due to flaws is dominated by the strong fastener signal, which makes defect detection and classification a challenging prob-lem. This issue is more pronounced for ferromagnetic fasteners that concentrate most of the magnetic flux. In the present work, a novel multi-frequency mixing algorithm is proposed to suppress rivet signal response and enhance defect detection capability of the GMR array probe. The algorithm is baseline-free and does not require any assumptions about the sample geometry being inspected. Fastener signal suppression is based upon the random sample consensus (RANSAC) method, which iteratively estimates parameters of a mathematical model from a set of observed data with outliers. Bottom layer defects at fastener site are simulated as EDM notches of different length. Performance of the proposed multi-frequency mixing approach is evaluated on finite element data and experimental GMR measurements obtained with unidirectional planar current excitation. Initial results are promising demonstrating the feasibility of the approach.

Proposal of AAA-battery-size one-shot ATR Fourier spectroscopic imager for on-site analysis: Simultaneous measurement of multi-components with high accuracy

Science.gov (United States)

Hosono, Satsuki; Qi, Wei; Sato, Shun; Suzuki, Yo; Fujiwara, Masaru; Hiramatsu, Hiroyuki; Suzuki, Satoru; Abeygunawardhana, P. K. W.; Wada, Kenji; Nishiyama, Akira; Ishimaru, Ichiro

2015-03-01

For simultaneous measurement of multi-components on-site like factories, the ultra-compact (diameter: 9[mm], length: 45[mm], weight: 200[g]) one-shot ATR (Attenuated Total Reflection) Fourier spectroscopic imager was proposed. Because the proposed one-shot Fourier spectroscopic imaging is based on spatial-phase-shift interferometer, interferograms could be obtained with simple optical configurations. We introduced the transmission-type relativeinclined phase-shifter, that was constructed with a cuboid prism and a wedge prism, onto the optical Fourier transform plane of infinity corrected optical systems. And also, small light-sources and cameras in the mid-infrared light region, whose size are several millimeter on a side, are essential components for the ultra-compact spectroscopic configuration. We selected the Graphite light source (light source area: 1.7×1.7[mm], maker: Hawkeye technologies) whose radiation factor was high. Fortunately, in these days we could apply the cost-effective 2-dimensional light receiving device for smartphone (e.g. product name: LEPTON, maker: FLIR, price: around 400USD). In the case of alcoholic drinks factory, conventionally workers measure glucose and ethanol concentrations by bringing liquid solution back to laboratories every day. The high portable spectroscopy will make it possible to measure multi-components simultaneously on manufacturing scene. But we found experimentally that absorption spectrum of glucose and water and ethanol were overlapped each other in near infrared light region. But for mid-infrared light region, we could distinguish specific absorption peaks of glucose (@10.5[μm]) and ethanol (@11.5[μm]) independently from water absorption. We obtained standard curve between absorption (@9.6[μm]) and ethanol concentration with high correlation coefficient 0.98 successfully by ATR imaging-type 2-dimensional Fourier spectroscopy (wavelength resolution: 0.057[μm]) with the graphite light source (maker: Hawkeye

Improving package structure of object-oriented software using multi-objective optimization and weighted class connections

Directory of Open Access Journals (Sweden)

Amarjeet

2017-07-01

Full Text Available The software maintenance activities performed without following the original design decisions about the package structure usually deteriorate the quality of software modularization, leading to decay of the quality of the system. One of the main reasons for such structural deterioration is inappropriate grouping of source code classes in software packages. To improve such grouping/modular-structure, previous researchers formulated the software remodularization problem as an optimization problem and solved it using search-based meta-heuristic techniques. These optimization approaches aimed at improving the quality metrics values of the structure without considering the original package design decisions, often resulting into a totally new software modularization. The entirely changed software modularization becomes costly to realize as well as difficult to understand for the developers/maintainers. To alleviate this issue, we propose a multi-objective optimization approach to improve the modularization quality of an object-oriented system with minimum possible movement of classes between existing packages of original software modularization. The optimization is performed using NSGA-II, a widely-accepted multi-objective evolutionary algorithm. In order to ensure minimum modification of original package structure, a new approach of computing class relations using weighted strengths has been proposed here. The weights of relations among different classes are computed on the basis of the original package structure. A new objective function has been formulated using these weighted class relations. This objective function drives the optimization process toward better modularization quality simultaneously ensuring preservation of original structure. To evaluate the results of the proposed approach, a series of experiments are conducted over four real-worlds and two random software applications. The experimental results clearly indicate the effectiveness

Optimized swimmer tracking system based on a novel multi-related-targets approach

Science.gov (United States)

Benarab, D.; Napoléon, T.; Alfalou, A.; Verney, A.; Hellard, P.

2017-02-01

Robust tracking is a crucial step in automatic swimmer evaluation from video sequences. We designed a robust swimmer tracking system using a new multi-related-targets approach. The main idea is to consider the swimmer as a bloc of connected subtargets that advance at the same speed. If one of the subtargets is partially or totally occluded, it can be localized by knowing the position of the others. In this paper, we first introduce the two-dimensional direct linear transformation technique that we used to calibrate the videos. Then, we present the classical tracking approach based on dynamic fusion. Next, we highlight the main contribution of our work, which is the multi-related-targets tracking approach. This approach, the classical head-only approach and the ground truth are then compared, through testing on a database of high-level swimmers in training, national and international competitions (French National Championships, Limoges 2015, and World Championships, Kazan 2015). Tracking percentage and the accuracy of the instantaneous speed are evaluated and the findings show that our new appraoach is significantly more accurate than the classical approach.

Exploring Multi-Scale Spatiotemporal Twitter User Mobility Patterns with a Visual-Analytics Approach

Directory of Open Access Journals (Sweden)

Junjun Yin

2016-10-01

Full Text Available Understanding human mobility patterns is of great importance for urban planning, traffic management, and even marketing campaign. However, the capability of capturing detailed human movements with fine-grained spatial and temporal granularity is still limited. In this study, we extracted high-resolution mobility data from a collection of over 1.3 billion geo-located Twitter messages. Regarding the concerns of infringement on individual privacy, such as the mobile phone call records with restricted access, the dataset is collected from publicly accessible Twitter data streams. In this paper, we employed a visual-analytics approach to studying multi-scale spatiotemporal Twitter user mobility patterns in the contiguous United States during the year 2014. Our approach included a scalable visual-analytics framework to deliver efficiency and scalability in filtering large volume of geo-located tweets, modeling and extracting Twitter user movements, generating space-time user trajectories, and summarizing multi-scale spatiotemporal user mobility patterns. We performed a set of statistical analysis to understand Twitter user mobility patterns across multi-level spatial scales and temporal ranges. In particular, Twitter user mobility patterns measured by the displacements and radius of gyrations of individuals revealed multi-scale or multi-modal Twitter user mobility patterns. By further studying such mobility patterns in different temporal ranges, we identified both consistency and seasonal fluctuations regarding the distance decay effects in the corresponding mobility patterns. At the same time, our approach provides a geo-visualization unit with an interactive 3D virtual globe web mapping interface for exploratory geo-visual analytics of the multi-level spatiotemporal Twitter user movements.

A hybrid solution approach for a multi-objective closed-loop logistics network under uncertainty

Science.gov (United States)

Mehrbod, Mehrdad; Tu, Nan; Miao, Lixin

2015-06-01

The design of closed-loop logistics (forward and reverse logistics) has attracted growing attention with the stringent pressures of customer expectations, environmental concerns and economic factors. This paper considers a multi-product, multi-period and multi-objective closed-loop logistics network model with regard to facility expansion as a facility location-allocation problem, which more closely approximates real-world conditions. A multi-objective mixed integer nonlinear programming formulation is linearized by defining new variables and adding new constraints to the model. By considering the aforementioned model under uncertainty, this paper develops a hybrid solution approach by combining an interactive fuzzy goal programming approach and robust counterpart optimization based on three well-known robust counterpart optimization formulations. Finally, this paper compares the results of the three formulations using different test scenarios and parameter-sensitive analysis in terms of the quality of the final solution, CPU time, the level of conservatism, the degree of closeness to the ideal solution, the degree of balance involved in developing a compromise solution, and satisfaction degree.

Structures, Energetics and Spectroscopic Fingerprints of Water Clusters n=2-24

Energy Technology Data Exchange (ETDEWEB)

Yoo, Soohaeng; Xantheas, Sotiris S.

2017-06-08

This chapter discusses the structures, energetics, and vibrational spectra of the first few (n$24) water clusters obtained from high-level electronic structure calculations. The results are discussed in the perspective of being used to parameterize/assess the accuracy of classical and quantum force fields for water. To this end, a general introduction with the classification of those force fields is presented. Several low-lying families of minima for the medium cluster sizes are considered. The transition from the “all surface” to the “fully coordinated” cluster structures occurring at nD17 and its spectroscopic signature is presented. The various families of minima for nD20 are discussed together with the low energy networks of the pentagonal dodecahedron (H2O)20 water cage. Finally, the low-energy networks of the tetrakaidecahedron (T-cage) (H2O)24 cluster are shown and their significance in the construction of periodic lattices of structure I (sI) of the hydrate lattices is discussed.

Optical and structural characterization of Ge clusters embedded in ZrO2

OpenAIRE

Agocs, E; Zolnai, Z.; Rossall, A. K.; Van den Berg, Jakob; Fodor, B.; Lehninger, D.; Khomenkova, L.; Ponomaryov, S.; Gudymenko, O.; Yukhymchuk, V.; Kalas, B.; Heitmann, J.; Petrik, P.

2017-01-01

The change of optical and structural properties of Ge nanoclusters in ZrO2 matrix have been investigated by spectroscopic ellipsometry versus annealing temperatures. Radio-frequency top-down magnetron sputtering approach was used to produce the samples of different types, i.e. single-layers of pure Ge, pure ZrO2 and Ge-rich-ZrO2 as well as multi-layers stacked of 40 periods of 5-nm-Ge-rich-ZrO2 layers alternated by 5-nm-ZrO2 ones. Germanium nanoclusters in ZrO2 host were formed by rapid-therm...

A multi-attribute approach to choosing adaptation strategies: Application to sea-level rise

International Nuclear Information System (INIS)

Smith, A.E.; Chu, H.Q.

1994-01-01

Selecting good adaptation strategies in anticipation of climate change is gaining increasing attention as it becomes increasingly clear that much of the likely change is already committed, and could not be avoided even with aggressive and immediate emissions reductions. Adaptation decision making will place special requirements on regional and local planners in the US and other countries, especially developing countries. Approaches, tools, and guidance will be useful to assist in an effective response to the challenge. This paper describes the value of using a multi-attribute approach for evaluating adaptation strategies and its implementation as a decision-support software tool to help planners understand and execute this approach. The multi-attribute approach described here explicitly addresses the fact that many aspects of the decision cannot be easily quantified, that future conditions are highly uncertain, and that there are issues of equity, flexibility, and coordination that may be as important to the decision as costs and benefits. The approach suggested also avoids trying to collapse information on all of the attributes to a single metric. Such metrics can obliterate insights about the nature of the trade-offs that must be made in choosing among very dissimilar types of responses to the anticipated threat of climate change. Implementation of such an approach requires management of much information, and an ability to easily manipulate its presentation while seeking acceptable trade-offs. The Adaptation Strategy Evaluator (ASE) was developed under funding from the US Environmental Protection Agency to provide user-friendly, PC-based guidance through the major steps of a multi-attribute evaluation. The initial application of ASE, and the focus of this paper, is adaptation to sea level rise. However, the approach can be easily adapted to any multi-attribute choice problem, including the range of other adaptation planning needs

A hybrid load flow and event driven simulation approach to multi-state system reliability evaluation

International Nuclear Information System (INIS)

George-Williams, Hindolo; Patelli, Edoardo

2016-01-01

Structural complexity of systems, coupled with their multi-state characteristics, renders their reliability and availability evaluation difficult. Notwithstanding the emergence of various techniques dedicated to complex multi-state system analysis, simulation remains the only approach applicable to realistic systems. However, most simulation algorithms are either system specific or limited to simple systems since they require enumerating all possible system states, defining the cut-sets associated with each state and monitoring their occurrence. In addition to being extremely tedious for large complex systems, state enumeration and cut-set definition require a detailed understanding of the system's failure mechanism. In this paper, a simple and generally applicable simulation approach, enhanced for multi-state systems of any topology is presented. Here, each component is defined as a Semi-Markov stochastic process and via discrete-event simulation, the operation of the system is mimicked. The principles of flow conservation are invoked to determine flow across the system for every performance level change of its components using the interior-point algorithm. This eliminates the need for cut-set definition and overcomes the limitations of existing techniques. The methodology can also be exploited to account for effects of transmission efficiency and loading restrictions of components on system reliability and performance. The principles and algorithms developed are applied to two numerical examples to demonstrate their applicability. - Highlights: • A discrete event simulation model based on load flow principles. • Model does not require system path or cut sets. • Applicable to binary and multi-state systems of any topology. • Supports multiple output systems with competing demand. • Model is intuitive and generally applicable.

Structural exploration for the refinement of anticancer matrix metalloproteinase-2 inhibitor designing approaches through robust validated multi-QSARs

Science.gov (United States)

Adhikari, Nilanjan; Amin, Sk. Abdul; Saha, Achintya; Jha, Tarun

2018-03-01

Matrix metalloproteinase-2 (MMP-2) is a promising pharmacological target for designing potential anticancer drugs. MMP-2 plays critical functions in apoptosis by cleaving the DNA repair enzyme namely poly (ADP-ribose) polymerase (PARP). Moreover, MMP-2 expression triggers the vascular endothelial growth factor (VEGF) having a positive influence on tumor size, invasion, and angiogenesis. Therefore, it is an urgent need to develop potential MMP-2 inhibitors without any toxicity but better pharmacokinetic property. In this article, robust validated multi-quantitative structure-activity relationship (QSAR) modeling approaches were attempted on a dataset of 222 MMP-2 inhibitors to explore the important structural and pharmacophoric requirements for higher MMP-2 inhibition. Different validated regression and classification-based QSARs, pharmacophore mapping and 3D-QSAR techniques were performed. These results were challenged and subjected to further validation to explain 24 in house MMP-2 inhibitors to judge the reliability of these models further. All these models were individually validated internally as well as externally and were supported and validated by each other. These results were further justified by molecular docking analysis. Modeling techniques adopted here not only helps to explore the necessary structural and pharmacophoric requirements but also for the overall validation and refinement techniques for designing potential MMP-2 inhibitors.

GESE: A Small UV Space Telescope to Conduct a Large Spectroscopic Survey of Z-1 Galaxies

Science.gov (United States)

Heap, Sara R.; Gong, Qian; Hull, Tony; Kruk, Jeffrey; Purves, Lloyd

2013-01-01

One of the key goals of NASA's astrophysics program is to answer the question: How did galaxies evolve into the spirals and elliptical galaxies that we see today? We describe a space mission concept called Galaxy Evolution Spectroscopic Explorer (GESE) to address this question by making a large spectroscopic survey of galaxies at a redshift, z is approximately 1 (look-back time of approximately 8 billion years). GESE is a 1.5-meter space telescope with an ultraviolet (UV) multi-object slit spectrograph that can obtain spectra of hundreds of galaxies per exposure. The spectrograph covers the spectral range, 0.2-0.4 micrometers at a spectral resolving power, R approximately 500. This observed spectral range corresponds to 0.1-0.2 micrometers as emitted by a galaxy at a redshift, z=1. The mission concept takes advantage of two new technological advances: (1) light-weighted, wide-field telescope mirrors, and (2) the Next- Generation MicroShutter Array (NG-MSA) to be used as a slit generator in the multi-object slit spectrograph.

Photoelectron spectroscopic study on electronic structure of butterfly-templated ZnO

Energy Technology Data Exchange (ETDEWEB)

Kamada, Masao; Sugiyama, Harue; Takahashi, Kazutoshi; Guo, Qixin [Synchrotron Light Application Center, Saga University, Honjo 1, Saga 840-8502 (Japan); Gu, Jiajun; Zhang, Wang; Fan, Tongxiang; Zhang, Di [State Key Laboratory of Metal Matrix Composites, Shanghai Jiaotong University, Shanghai 200030 (China)

2010-06-15

Biological systems have complicated hierarchical architecture involving nano-structures inside, and are expected as another candidate for new nano-templates. The present work reports the photoelectron spectroscopic study on electronic structure of the butterfly-templated ZnO that were successfully produced from butterfly wings. Ultraviolet Photoelectron Spectrum (UPS) of the butterfly-templated ZnO shows clearly the valence band and a Zn-3d peak, indicating that the butterfly-templated ZnO has the same electronic structure as bulk ZnO. However, the details show that the energy positions of the Zn-3d level and the valence-band structure are different between them. The present results indicate that the bonding interaction between Zn-4sp and O-2p orbitals is stronger in the butterfly-templated ZnO, probably due to the nano-structures inside. Important parameters such as band bending and electron affinity are also obtained. The larger band bending and the lower electron affinity are found in the butterfly-templated ZnO (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

The multi-sensory approach as a geoeducational strategy

Science.gov (United States)

Musacchio, Gemma; Piangiamore, Giovanna Lucia; Pino, Nicola Alessandro

2014-05-01

Geoscience knowledge has a strong impact in modern society as it relates to natural hazards, sustainability and environmental issues. The general public has a demanding attitude towards the understanding of crucial geo-scientific topics that is only partly satisfied by science communication strategies and/or by outreach or school programs. A proper knowledge of the phenomena might help trigger crucial inquiries when approaching mitigation of geo-hazards and geo-resources, while providing the right tool for the understanding of news and ideas floating from the web or other media, and, in other words, help communication to be more efficient. Nonetheless available educational resources seem to be inadequate in meeting the goal, while research institutions are facing the challenge to experience new communication strategies and non-conventional way of learning capable to allow the understanding of crucial scientific contents. We suggest the use of multi-sensory approach as a successful non-conventional way of learning for children and as a different perspective of learning for older students and adults. Sense organs stimulation are perceived and processed to build the knowledge of the surrounding, including all sorts of hazards. Powerfully relying in the sense of sight, Humans have somehow lost most of their ability for a deep perception of the environment enriched by all the other senses. Since hazards involve emotions we argue that new ways to approach the learning might go exactly through emotions that one might stress with a tactile experience, a hearing or smell stimulation. To test and support our idea we are building a package of learning activities and exhibits based on a multi-sensory experience where the sight is not allowed.

Multi-heme Cytochromes in Shewanella oneidensis MR-1: Structures, functions and opportunities

Energy Technology Data Exchange (ETDEWEB)

Breuer, Marian; Rosso, Kevin M.; Blumberger, Jochen; Butt, Julea N.

2014-11-05

Multi-heme cytochromes are employed by a range of microorganisms to transport electrons over distances of up to tens of nanometers. Perhaps the most spectacular utilization of these proteins is in the reduction of extracellular solid substrates, including electrodes and insoluble mineral oxides of Fe(III) and Mn(III/IV), by species of Shewanella and Geobacter. However, multi-heme cytochromes are found in numerous and phylogenetically diverse prokaryotes where they participate in electron transfer and redox catalysis that contributes to biogeochemical cycling of N, S and Fe on the global scale. These properties of multi-heme cytochromes have attracted much interest and contributed to advances in bioenergy applications and bioremediation of contaminated soils. Looking forward there are opportunities to engage multi-heme cytochromes for biological photovoltaic cells, microbial electrosynthesis and developing bespoke molecular devices. As a consequence it is timely to review our present understanding of these proteins and we do this here with a focus on the multitude of functionally diverse multi-heme cytochromes in Shewanella oneidensis MR-1. We draw on findings from experimental and computational approaches which ideally complement each other in the study of these systems: computational methods can interpret experimentally determined properties in terms of molecular structure to cast light on the relation between structure and function. We show how this synergy has contributed to our understanding of multi-heme cytochromes and can be expected to continue to do so for greater insight into natural processes and their informed exploitation in biotechnologies.

Robust visual tracking via structured multi-task sparse learning

KAUST Repository

Zhang, Tianzhu; Ghanem, Bernard; Liu, Si; Ahuja, Narendra

2012-01-01

In this paper, we formulate object tracking in a particle filter framework as a structured multi-task sparse learning problem, which we denote as Structured Multi-Task Tracking (S-MTT). Since we model particles as linear combinations of dictionary

MultiSETTER: web server for multiple RNA structure comparison.

Science.gov (United States)

Čech, Petr; Hoksza, David; Svozil, Daniel

2015-08-12

Understanding the architecture and function of RNA molecules requires methods for comparing and analyzing their tertiary and quaternary structures. While structural superposition of short RNAs is achievable in a reasonable time, large structures represent much bigger challenge. Therefore, we have developed a fast and accurate algorithm for RNA pairwise structure superposition called SETTER and implemented it in the SETTER web server. However, though biological relationships can be inferred by a pairwise structure alignment, key features preserved by evolution can be identified only from a multiple structure alignment. Thus, we extended the SETTER algorithm to the alignment of multiple RNA structures and developed the MultiSETTER algorithm. In this paper, we present the updated version of the SETTER web server that implements a user friendly interface to the MultiSETTER algorithm. The server accepts RNA structures either as the list of PDB IDs or as user-defined PDB files. After the superposition is computed, structures are visualized in 3D and several reports and statistics are generated. To the best of our knowledge, the MultiSETTER web server is the first publicly available tool for a multiple RNA structure alignment. The MultiSETTER server offers the visual inspection of an alignment in 3D space which may reveal structural and functional relationships not captured by other multiple alignment methods based either on a sequence or on secondary structure motifs.

Interaction between ropinirole hydrochloride and aspirin with human serum albumin as binary and ternary systems by multi-spectroscopic, molecular modeling and zeta potential

Energy Technology Data Exchange (ETDEWEB)

Mahaki, Hanie, E-mail: hanieh.mahaki@gmail.com [Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad University, Mashhad (Iran, Islamic Republic of); Memarpoor-Yazdi, Mina; Chamani, Jamshidkhan [Department of Biology, Faculty of Sciences, Mashhad Branch, Islamic Azad University, Mashhad (Iran, Islamic Republic of); Reza Saberi, Mohammad [Medical Chemistry Department, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad (Iran, Islamic Republic of)

2013-02-15

The aim of the present study was to describe the competition of ropinirole hydrochloride (RP) and aspirin (ASA) in binding to human serum albumin (HSA) in physiological buffer (pH=7.4) using multi-spectroscopic, molecular modeling and zeta-potential measurements. Fluorescence analysis was used to define the binding and quenching properties of drug-HSA complexes in binary and ternary systems. Fluorescence spectroscopy showed that in the presence of RP, the binding constant of HSA-ASA was increased. Static quenching was confirmed to result in the fluorescence quenching and FRET. The effect of drugs on the conformation of HSA was analyzed using synchronous fluorescence spectroscopy, three-dimensional fluorescence spectra and circular dichroism (CD). The RLS method determined the critical aggregation concentration of drugs on HSA in binary and ternary systems that confirmed the zeta potential results. Structural modeling showed that the affinity of each of the drugs to HSA in binary and ternary systems confirms the spectroscopic results. - Highlights: Black-Right-Pointing-Pointer We studied the interaction of ropinirole hydrochloride and aspirin with HSA. Black-Right-Pointing-Pointer Molecular modeling and zeta-potential used to describe competitive interaction. Black-Right-Pointing-Pointer We determined the critical induced aggregation concentration of both drugs on HSA. Black-Right-Pointing-Pointer The binding mechanism of drugs as separate and simultaneous to HSA has been compared. Black-Right-Pointing-Pointer The binding site of both drugs as simultaneous effects on HSA has been determined.

Principal component and spatial correlation analysis of spectroscopic-imaging data in scanning probe microscopy

International Nuclear Information System (INIS)

Jesse, Stephen; Kalinin, Sergei V

2009-01-01

An approach for the analysis of multi-dimensional, spectroscopic-imaging data based on principal component analysis (PCA) is explored. PCA selects and ranks relevant response components based on variance within the data. It is shown that for examples with small relative variations between spectra, the first few PCA components closely coincide with results obtained using model fitting, and this is achieved at rates approximately four orders of magnitude faster. For cases with strong response variations, PCA allows an effective approach to rapidly process, de-noise, and compress data. The prospects for PCA combined with correlation function analysis of component maps as a universal tool for data analysis and representation in microscopy are discussed.

FGP Approach for Solving Multi-level Multi-objective Quadratic Fractional Programming Problem with Fuzzy parameters

Directory of Open Access Journals (Sweden)

m. s. osman

2017-09-01

Full Text Available In this paper, we consider fuzzy goal programming (FGP approach for solving multi-level multi-objective quadratic fractional programming (ML-MOQFP problem with fuzzy parameters in the constraints. Firstly, the concept of the ?-cut approach is applied to transform the set of fuzzy constraints into a common deterministic one. Then, the quadratic fractional objective functions in each level are transformed into quadratic objective functions based on a proposed transformation. Secondly, the FGP approach is utilized to obtain a compromise solution for the ML-MOQFP problem by minimizing the sum of the negative deviational variables. Finally, an illustrative numerical example is given to demonstrate the applicability and performance of the proposed approach.

A MultiAir®/MultiFuel Approach to Enhancing Engine System Efficiency

Energy Technology Data Exchange (ETDEWEB)

Reese, Ronald [Chrysler Group LLC., Auburn Hills, MI (United States)

2015-05-20

FCA US LLC (formally known as Chrysler Group LLC, and hereinafter “Chrysler”) was awarded an American Recovery and Reinvestment Act (ARRA) funded project by the Department of Energy (DOE) titled “A MultiAir®/MultiFuel Approach to Enhancing Engine System Efficiency” (hereinafter “project”). This award was issued after Chrysler submitted a proposal for Funding Opportunity Announcement DE-FOA- 0000079, “Systems Level Technology Development, Integration, and Demonstration for Efficient Class 8 Trucks (SuperTruck) and Advanced Technology Powertrains for Light-Duty Vehicles (ATP-LD).” Chrysler started work on this project on June 01, 2010 and completed testing activities on August 30, 2014. Overall objectives of this project were; Demonstrate a 25% improvement in combined Federal Test Procedure (FTP) City and Highway fuel economy over a 2009 Chrysler minivan; Accelerate the development of highly efficient engine and powertrain systems for light-duty vehicles, while meeting future emissions standards; and Create and retain jobs in accordance with the American Recovery and Reinvestment Act of 2009

Detecting outliers and learning complex structures with large spectroscopic surveys - a case study with APOGEE stars

Science.gov (United States)

Reis, Itamar; Poznanski, Dovi; Baron, Dalya; Zasowski, Gail; Shahaf, Sahar

2018-05-01

In this work, we apply and expand on a recently introduced outlier detection algorithm that is based on an unsupervised random forest. We use the algorithm to calculate a similarity measure for stellar spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE). We show that the similarity measure traces non-trivial physical properties and contains information about complex structures in the data. We use it for visualization and clustering of the data set, and discuss its ability to find groups of highly similar objects, including spectroscopic twins. Using the similarity matrix to search the data set for objects allows us to find objects that are impossible to find using their best-fitting model parameters. This includes extreme objects for which the models fail, and rare objects that are outside the scope of the model. We use the similarity measure to detect outliers in the data set, and find a number of previously unknown Be-type stars, spectroscopic binaries, carbon rich stars, young stars, and a few that we cannot interpret. Our work further demonstrates the potential for scientific discovery when combining machine learning methods with modern survey data.

Taxonomy of multi-focal nematode image stacks by a CNN based image fusion approach.

Science.gov (United States)

Liu, Min; Wang, Xueping; Zhang, Hongzhong

2018-03-01

In the biomedical field, digital multi-focal images are very important for documentation and communication of specimen data, because the morphological information for a transparent specimen can be captured in form of a stack of high-quality images. Given biomedical image stacks containing multi-focal images, how to efficiently extract effective features from all layers to classify the image stacks is still an open question. We present to use a deep convolutional neural network (CNN) image fusion based multilinear approach for the taxonomy of multi-focal image stacks. A deep CNN based image fusion technique is used to combine relevant information of multi-focal images within a given image stack into a single image, which is more informative and complete than any single image in the given stack. Besides, multi-focal images within a stack are fused along 3 orthogonal directions, and multiple features extracted from the fused images along different directions are combined by canonical correlation analysis (CCA). Because multi-focal image stacks represent the effect of different factors - texture, shape, different instances within the same class and different classes of objects, we embed the deep CNN based image fusion method within a multilinear framework to propose an image fusion based multilinear classifier. The experimental results on nematode multi-focal image stacks demonstrated that the deep CNN image fusion based multilinear classifier can reach a higher classification rate (95.7%) than that by the previous multilinear based approach (88.7%), even we only use the texture feature instead of the combination of texture and shape features as in the previous work. The proposed deep CNN image fusion based multilinear approach shows great potential in building an automated nematode taxonomy system for nematologists. It is effective to classify multi-focal image stacks. Copyright © 2018 Elsevier B.V. All rights reserved.

L1 Adaptive Control Augmentation System with Application to the X-29 Lateral/Directional Dynamics: A Multi-Input Multi-Output Approach

Science.gov (United States)

Griffin, Brian Joseph; Burken, John J.; Xargay, Enric

2010-01-01

This paper presents an L(sub 1) adaptive control augmentation system design for multi-input multi-output nonlinear systems in the presence of unmatched uncertainties which may exhibit significant cross-coupling effects. A piecewise continuous adaptive law is adopted and extended for applicability to multi-input multi-output systems that explicitly compensates for dynamic cross-coupling. In addition, explicit use of high-fidelity actuator models are added to the L1 architecture to reduce uncertainties in the system. The L(sub 1) multi-input multi-output adaptive control architecture is applied to the X-29 lateral/directional dynamics and results are evaluated against a similar single-input single-output design approach.

Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea.

Science.gov (United States)

Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V K; Singh, Bachcha; Singh, Ranjan K

2016-02-05

Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations. Copyright © 2015 Elsevier B.V. All rights reserved.

GESE: a small UV space telescope to conduct a large spectroscopic survey of z˜1 Galaxies

Science.gov (United States)

Heap, Sara R.; Gong, Qian; Hull, Tony; Kruk, Jeffrey; Purves, Lloyd

2014-11-01

One of the key goals of NASA's astrophysics program is to answer the question: How did galaxies evolve into the spirals and elliptical galaxies that we see today? We describe a space mission concept called Galaxy Evolution Spectroscopic Explorer (GESE) to address this question by making a large spectroscopic survey of galaxies at a redshift, z˜1 (look-back time of ˜8 billion years). GESE is a 1.5-m space telescope with an ultraviolet (UV) multi-object slit spectrograph that can obtain spectra of hundreds of galaxies per exposure. The spectrograph covers the spectral range, 0.2-0.4 μm at a spectral resolving power, R˜500. This observed spectral range corresponds to 0.1-0.2 μm as emitted by a galaxy at a redshift, z=1. The mission concept takes advantage of two new technological advances: (1) light-weighted, wide-field telescope mirrors, and (2) the Next-Generation MicroShutter Array (NG-MSA) to be used as a slit generator in the multi-object slit spectrograph.

Dry Port Location Problem: A Hybrid Multi-Criteria Approach

Directory of Open Access Journals (Sweden)

BENTALEB Fatimazahra

2016-03-01

Full Text Available Choosing a location for a dry port is a problem which becomes more essential and crucial. This study deals with the problem of locating dry ports. On this matter, a model combining multi-criteria (MACBETH and mono-criteria (BARYCENTER methods to find a solution to dry port location problem has been proposed. In the first phase, a systematic literature review was carried out on dry port location problem and then a methodological classification was presented for this research. In the second phase, a hybrid multi-criteria approach was developed in order to determine the best dry port location taking different criteria into account. A Computational practice and a qualitative analysis from a case study in the Moroccan context have been provided. The results show that the optimal location is very convenient with the geographical region and the government policies.

Detecting Neolithic Burial Mounds from LiDAR-Derived Elevation Data Using a Multi-Scale Approach and Machine Learning Techniques

Directory of Open Access Journals (Sweden)

Alexandre Guyot

2018-02-01

Full Text Available Airborne LiDAR technology is widely used in archaeology and over the past decade has emerged as an accurate tool to describe anthropomorphic landforms. Archaeological features are traditionally emphasised on a LiDAR-derived Digital Terrain Model (DTM using multiple Visualisation Techniques (VTs, and occasionally aided by automated feature detection or classification techniques. Such an approach offers limited results when applied to heterogeneous structures (different sizes, morphologies, which is often the case for archaeological remains that have been altered throughout the ages. This study proposes to overcome these limitations by developing a multi-scale analysis of topographic position combined with supervised machine learning algorithms (Random Forest. Rather than highlighting individual topographic anomalies, the multi-scalar approach allows archaeological features to be examined not only as individual objects, but within their broader spatial context. This innovative and straightforward method provides two levels of results: a composite image of topographic surface structure and a probability map of the presence of archaeological structures. The method was developed to detect and characterise megalithic funeral structures in the region of Carnac, the Bay of Quiberon, and the Gulf of Morbihan (France, which is currently considered for inclusion on the UNESCO World Heritage List. As a result, known archaeological sites have successfully been geo-referenced with a greater accuracy than before (even when located under dense vegetation and a ground-check confirmed the identification of a previously unknown Neolithic burial mound in the commune of Carnac.

The DEIMOS 10K Spectroscopic Survey Catalog of the COSMOS Field

Science.gov (United States)

Hasinger, G.; Capak, P.; Salvato, M.; Barger, A. J.; Cowie, L. L.; Faisst, A.; Hemmati, S.; Kakazu, Y.; Kartaltepe, J.; Masters, D.; Mobasher, B.; Nayyeri, H.; Sanders, D.; Scoville, N. Z.; Suh, H.; Steinhardt, C.; Yang, Fengwei

2018-05-01

We present a catalog of 10,718 objects in the COSMOS field, observed through multi-slit spectroscopy with the Deep Imaging Multi-Object Spectrograph (DEIMOS) on the Keck II telescope in the wavelength range ∼5500–9800 Å. The catalog contains 6617 objects with high-quality spectra (two or more spectral features), and 1798 objects with a single spectroscopic feature confirmed by the photometric redshift. For 2024 typically faint objects, we could not obtain reliable redshifts. The objects have been selected from a variety of input catalogs based on multi-wavelength observations in the field, and thus have a diverse selection function, which enables the study of the diversity in the galaxy population. The magnitude distribution of our objects is peaked at I AB ∼ 23 and K AB ∼ 21, with a secondary peak at K AB ∼ 24. We sample a broad redshift distribution in the range 0 0.65 with chance probabilities 10 Mpc. An object-to-object comparison with a multitude of other spectroscopic samples in the same field shows that our DEIMOS sample is among the best in terms of fraction of spectroscopic failures and relative redshift accuracy. We have determined the fraction of spectroscopic blends to about 0.8% in our sample. This is likely a lower limit and at any rate well below the most pessimistic expectations. Interestingly, we find evidence for strong lensing of Lyα background emitters within the slits of 12 of our target galaxies, increasing their apparent density by about a factor of 4. The data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.

Laser spectroscopic and theoretical studies of the structures and encapsulation motifs of functional molecules

Energy Technology Data Exchange (ETDEWEB)

Ebata, Takayuki; Kusaka, Ryoji [Department of Chemistry, Graduate School of Science, Hiroshima University, Kagamiyama 1-3-1, Higashi-Hiroshima, 739-8526 (Japan); Xantheas, Sotiris S. [Chemical and Materials Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MS K1-83, Richland, WA 99352 (United States)

2015-01-22

Extensive laser spectroscopic and theoretical studies have been recently carried out with the aim to reveal the structure and dynamics of encapsulation complexes in the gas phase. The characteristics of the encapsulation complexes are governed by the fact that (i) most of the host molecules are flexible and (ii) the complexes form high dimensional structures by using weak non-covalent interactions. These characteristics result in the possibility of the coexistence of many conformers in close energetic proximity. The combination of supersonic jet/laser spectroscopy and high level quantum chemical calculations is essential in tackling these challenging problems. In this report we describe our recent studies on the structures and dynamics of the encapsulation complexes formed by calix[4]arene (C4A), dibenzo-18-crown-6-ether (DB18C6), and benzo-18-crown-6-ether (B18C6) 'hosts' interacting with N{sub 2}, acetylene, water, and ammonia 'guest' molecules. The gaseous host-guest complexes are generated under jet-cooled conditions. We apply various laser spectroscopic methods to obtain the conformer- and isomer-specified electronic and IR spectra. The experimental results are complemented with quantum chemical calculations ranging from density functional theory to high level first principles calculations at the MP2 and CCSD(T) levels of theory. We discuss the possible conformations of the bare host molecules, the structural changes they undergo upon complexation, and the key interactions that are responsible in stabilizing the specific complexes.

Multi-level approach for parametric roll analysis

Science.gov (United States)

Kim, Taeyoung; Kim, Yonghwan

2011-03-01

The present study considers multi-level approach for the analysis of parametric roll phenomena. Three kinds of computation method, GM variation, impulse response function (IRF), and Rankine panel method, are applied for the multi-level approach. IRF and Rankine panel method are based on the weakly nonlinear formulation which includes nonlinear Froude- Krylov and restoring forces. In the computation result of parametric roll occurrence test in regular waves, IRF and Rankine panel method show similar tendency. Although the GM variation approach predicts the occurrence of parametric roll at twice roll natural frequency, its frequency criteria shows a little difference. Nonlinear roll motion in bichromatic wave is also considered in this study. To prove the unstable roll motion in bichromatic waves, theoretical and numerical approaches are applied. The occurrence of parametric roll is theoretically examined by introducing the quasi-periodic Mathieu equation. Instability criteria are well predicted from stability analysis in theoretical approach. From the Fourier analysis, it has been verified that difference-frequency effects create the unstable roll motion. The occurrence of unstable roll motion in bichromatic wave is also observed in the experiment.

Market-based control strategy for long-span structures considering the multi-time delay issue

Science.gov (United States)

Li, Hongnan; Song, Jianzhu; Li, Gang

2017-01-01

To solve the different time delays that exist in the control device installed on spatial structures, in this study, discrete analysis using a 2 N precise algorithm was selected to solve the multi-time-delay issue for long-span structures based on the market-based control (MBC) method. The concept of interval mixed energy was introduced from computational structural mechanics and optimal control research areas, and it translates the design of the MBC multi-time-delay controller into a solution for the segment matrix. This approach transforms the serial algorithm in time to parallel computing in space, greatly improving the solving efficiency and numerical stability. The designed controller is able to consider the issue of time delay with a linear controlling force combination and is especially effective for large time-delay conditions. A numerical example of a long-span structure was selected to demonstrate the effectiveness of the presented controller, and the time delay was found to have a significant impact on the results.

Time-dependent evolution of rock slopes by a multi-modelling approach

Science.gov (United States)

Bozzano, F.; Della Seta, M.; Martino, S.

2016-06-01

This paper presents a multi-modelling approach that incorporates contributions from morpho-evolutionary modelling, detailed engineering-geological modelling and time-dependent stress-strain numerical modelling to analyse the rheological evolution of a river valley slope over approximately 102 kyr. The slope is located in a transient, tectonically active landscape in southwestern Tyrrhenian Calabria (Italy), where gravitational processes drive failures in rock slopes. Constraints on the valley profile development were provided by a morpho-evolutionary model based on the correlation of marine and river strath terraces. Rock mass classes were identified through geomechanical parameters that were derived from engineering-geological surveys and outputs of a multi-sensor slope monitoring system. The rock mass classes were associated to lithotechnical units to obtain a high-resolution engineering-geological model along a cross section of the valley. Time-dependent stress-strain numerical modelling reproduced the main morpho-evolutionary stages of the valley slopes. The findings demonstrate that a complex combination of eustatism, uplift and Mass Rock Creep (MRC) deformations can lead to first-time failures of rock slopes when unstable conditions are encountered up to the generation of stress-controlled shear zones. The multi-modelling approach enabled us to determine that such complex combinations may have been sufficient for the first-time failure of the S. Giovanni slope at approximately 140 ka (MIS 7), even without invoking any trigger. Conversely, further reactivations of the landslide must be related to triggers such as earthquakes, rainfall and anthropogenic activities. This failure involved a portion of the slope where a plasticity zone resulted from mass rock creep that evolved with a maximum strain rate of 40% per thousand years, after the formation of a river strath terrace. This study demonstrates that the multi-modelling approach presented herein is a useful

THE YOUNG SOLAR ANALOGS PROJECT. I. SPECTROSCOPIC AND PHOTOMETRIC METHODS AND MULTI-YEAR TIMESCALE SPECTROSCOPIC RESULTS

Energy Technology Data Exchange (ETDEWEB)

Gray, R. O.; Briley, M. M.; Lambert, R. A.; Fuller, V. A.; Newsome, I. M.; Seeds, M. F. [Department of Physics and Astronomy, Appalachian State University, Boone, NC 26808 (United States); Saken, J. M.; Kahvaz, Y. [Department of Physics and Physical Science, Marshall University, Huntington, WV 25755 (United States); Corbally, C. J. [Vatican Observatory Research Group, Steward Observatory, Tucson, AZ 85721-0065 (United States)

2015-12-15

This is the first in a series of papers presenting methods and results from the Young Solar Analogs Project, which began in 2007. This project monitors both spectroscopically and photometrically a set of 31 young (300–1500 Myr) solar-type stars with the goal of gaining insight into the space environment of the Earth during the period when life first appeared. From our spectroscopic observations we derive the Mount Wilson S chromospheric activity index (S{sub MW}), and describe the method we use to transform our instrumental indices to S{sub MW} without the need for a color term. We introduce three photospheric indices based on strong absorption features in the blue-violet spectrum—the G-band, the Ca i resonance line, and the Hydrogen-γ line—with the expectation that these indices might prove to be useful in detecting variations in the surface temperatures of active solar-type stars. We also describe our photometric program, and in particular our “Superstar technique” for differential photometry which, instead of relying on a handful of comparison stars, uses the photon flux in the entire star field in the CCD image to derive the program star magnitude. This enables photometric errors on the order of 0.005–0.007 magnitude. We present time series plots of our spectroscopic data for all four indices, and carry out extensive statistical tests on those time series demonstrating the reality of variations on timescales of years in all four indices. We also statistically test for and discover correlations and anti-correlations between the four indices. We discuss the physical basis of those correlations. As it turns out, the “photospheric” indices appear to be most strongly affected by emission in the Paschen continuum. We thus anticipate that these indices may prove to be useful proxies for monitoring emission in the ultraviolet Balmer continuum. Future papers in this series will discuss variability of the program stars on medium (days–months) and short

Spectroscopic (multi-energy) CT distinguishes iodine and barium contrast material in MICE.

Science.gov (United States)

Anderson, N G; Butler, A P; Scott, N J A; Cook, N J; Butzer, J S; Schleich, N; Firsching, M; Grasset, R; de Ruiter, N; Campbell, M; Butler, P H

2010-09-01

Spectral CT differs from dual-energy CT by using a conventional X-ray tube and a photon-counting detector. We wished to produce 3D spectroscopic images of mice that distinguished calcium, iodine and barium. We developed a desktop spectral CT, dubbed MARS, based around the Medipix2 photon-counting energy-discriminating detector. The single conventional X-ray tube operated at constant voltage (75 kVp) and constant current (150 microA). We anaesthetised with ketamine six black mice (C57BL/6). We introduced iodinated contrast material and barium sulphate into the vascular system, alimentary tract and respiratory tract as we euthanised them. The mice were preserved in resin and imaged at four detector energy levels from 12 keV to 42 keV to include the K-edges of iodine (33.0 keV) and barium (37.4 keV). Principal component analysis was applied to reconstructed images to identify components with independent energy response, then displayed in 2D and 3D. Iodinated and barium contrast material was spectrally distinct from soft tissue and bone in all six mice. Calcium, iodine and barium were displayed as separate channels on 3D colour images at contrast agents with K-edges only 4 keV apart. Multi-contrast imaging and molecular CT are potential future applications.

Spectroscopic (multi-energy) CT distinguishes iodine and barium contrast material in MICE

Energy Technology Data Exchange (ETDEWEB)

Anderson, N.G. [University of Otago, Department of Radiology, Christchurch (New Zealand); Butler, A.P. [University of Otago, Department of Radiology, Christchurch (New Zealand); University of Canterbury, Physics and Astronomy, Christchurch (New Zealand); Scott, N.J.A. [University of Otago, Department of Medicine, Christchurch (New Zealand); Cook, N.J. [Christchurch Hospital, Medical Physics and Bioengineering, Christchurch (New Zealand); Butzer, J.S. [Karlsruhe Institute of Technology, Physics Department, Karlsruhe (Germany); Schleich, N. [University of Canterbury, Physics and Astronomy, Christchurch (New Zealand); Christchurch Hospital, Medical Physics and Bioengineering, Christchurch (New Zealand); Firsching, M. [Friedrich Alexander University, Physics Department, Erlangen (Germany); Grasset, R.; Ruiter, N. de [University of Canterbury, Hitlab NZ, Christchurch (New Zealand); Campbell, M. [European Organisation for Nuclear Research, Physics Section, Geneva (Switzerland); Butler, P.H. [University of Canterbury, Physics and Astronomy, Christchurch (New Zealand)

2010-09-15

Spectral CT differs from dual-energy CT by using a conventional X-ray tube and a photon-counting detector. We wished to produce 3D spectroscopic images of mice that distinguished calcium, iodine and barium. We developed a desktop spectral CT, dubbed MARS, based around the Medipix2 photon-counting energy-discriminating detector. The single conventional X-ray tube operated at constant voltage (75 kVp) and constant current (150 {mu}A). We anaesthetised with ketamine six black mice (C57BL/6). We introduced iodinated contrast material and barium sulphate into the vascular system, alimentary tract and respiratory tract as we euthanised them. The mice were preserved in resin and imaged at four detector energy levels from 12 keV to 42 keV to include the K-edges of iodine (33.0 keV) and barium (37.4 keV). Principal component analysis was applied to reconstructed images to identify components with independent energy response, then displayed in 2D and 3D. Iodinated and barium contrast material was spectrally distinct from soft tissue and bone in all six mice. Calcium, iodine and barium were displayed as separate channels on 3D colour images at <55 {mu}m isotropic voxels. Spectral CT distinguishes contrast agents with K-edges only 4 keV apart. Multi-contrast imaging and molecular CT are potential future applications. (orig.)

Data structures supporting multi-region adaptive isogeometric analysis

Science.gov (United States)

Perduta, Anna; Putanowicz, Roman

2018-01-01

Since the first paper published in 2005 Isogeometric Analysis (IGA) has gained strong interest and found applications in many engineering problems. Despite the advancement of the method, there are still far fewer software implementations comparing to Finite Element Method. The paper presents an approach to the development of data structures that can support multi-region IGA with local mesh refinement (patch-based) and possible application in IGA-FEM models. The purpose of this paper is to share original design concepts, that authors have created while developing an IGA package, which other researchers may find beneficial for their own simulation codes.

A multi-disciplinary approach for the integrated assessment of water alterations under climate change

Science.gov (United States)

Sperotto, Anna; Torresan, Silvia; Molina, Jose Luis; Pulido Velazquez, Manuel; Critto, Andrea; Marcomini, Antonio

2017-04-01

Understanding the co-evolution and interrelations between natural and human pressures on water systems is required to ensure a sustainable management of resources under uncertain climate change conditions. To pursue multi-disciplinary research is therefore necessary to consider the multiplicity of stressors affecting water resources, take into account alternative perspectives (i.e. social, economic and environmental objective and priorities) and deal with uncertainty which characterize climate change scenarios. However, approaches commonly adopted in water quality assessment are predominantly mono-disciplinary, single-stressors oriented and apply concepts and models specific of different academic disciplines (e.g. physics, hydrology, ecology, sociology, economy) which, in fact, seldom shed their conceptual blinders failing to provide truly integrated results. In this context, the paper discusses the benefits and limits of adopting a multi-disciplinary approach where different knowledge domains collaborate and quantitative and qualitative information, coming from multiple conceptual and model-based research, are integrated in a harmonic manner. Specifically, Bayesian Networks are used as meta-modelling tool for structuring and combining the probabilistic information available in existing hydrological models, climate change and land use projections, historical observations and expert opinion. The developed network allows to perform a stochastic multi-risk assessment considering the interlacing between climate (i.e. irregularities in water regime) and land use changes (i.e. agriculture, urbanization) and their cascading impacts on water quality parameters (i.e. nutrients loadings). Main objective of the model is the development of multi-risk scenarios to assess and communicate the probability of not meeting a "Good chemical water status" over future timeframe taking into account projected climatic and not climatic conditions. The outcomes are finally used to identify

A multi-criteria decision approach to sorting actions for promoting energy efficiency

International Nuclear Information System (INIS)

Pires Neves, Luis; Gomes Martins, Antonio; Henggeler Antunes, Carlos; Candido Dias, Luis

2008-01-01

This paper proposes a multi-criteria decision approach for sorting energy-efficiency initiatives, promoted by electric utilities, with or without public funds authorized by a regulator, or promoted by an independent energy agency, overcoming the limitations and drawbacks of cost-benefit analysis. The proposed approach is based on the ELECTRE-TRI multi-criteria method and allows the consideration of different kinds of impacts, although avoiding difficult measurements and unit conversions. The decision is based on all the significant effects of the initiative, both positive and negative, including ancillary effects often forgotten in cost-benefit analysis. The ELECTRE-TRI, as most multi-criteria methods, provides to the decision maker the ability of controlling the relevance each impact can have on the final decision in a transparent way. The decision support process encompasses a robustness analysis, which, together with a good documentation of the parameters supplied into the model, should support sound decisions. The models were tested with a set of real-world initiatives and compared with possible decisions based on cost-benefit analysis

A multi-level surface rebalancing approach for efficient convergence acceleration of 3D full core multi-group fine grid nodal diffusion iterations

International Nuclear Information System (INIS)

Geemert, René van

2014-01-01

Highlights: • New type of multi-level rebalancing approach for nodal transport. • Generally improved and more mesh-independent convergence behavior. • Importance for intended regime of 3D pin-by-pin core computations. - Abstract: A new multi-level surface rebalancing (MLSR) approach has been developed, aimed at enabling an improved non-linear acceleration of nodal flux iteration convergence in 3D steady-state and transient reactor simulation. This development is meant specifically for anticipating computational needs for solving envisaged multi-group diffusion-like SP N calculations with enhanced mesh resolution (i.e. 3D multi-box up to 3D pin-by-pin grid). For the latter grid refinement regime, the previously available multi-level coarse mesh rebalancing (MLCMR) strategy has been observed to become increasingly inefficient with increasing 3D mesh resolution. Furthermore, for very fine 3D grids that feature a very fine axial mesh as well, non-convergence phenomena have been observed to emerge. In the verifications pursued up to now, these problems have been resolved by the new approach. The novelty arises from taking the interface current balance equations defined over all Cartesian box edges, instead of the nodal volume-integrated process-rate balance equation, as an appropriate restriction basis for setting up multi-level acceleration of fine grid interface current iterations. The new restriction strategy calls for the use of a newly derived set of adjoint spectral equations that are needed for computing a limited set of spectral response vectors per node. This enables a straightforward determination of group-condensed interface current spectral coupling operators that are of crucial relevance in the new rebalancing setup. Another novelty in the approach is a new variational method for computing the neutronic eigenvalue. Within this context, the latter is treated as a control parameter for driving another, newly defined and numerically more fundamental

Synthesis, spectroscopic, and molecular structure characterizations of some azo derivatives of 2-hydroxyacetophenone

Science.gov (United States)

Albayrak, Çiğdem; Gümrükçüoğlu, İsmail E.; Odabaşoğlu, Mustafa; İskeleli, Nazan Ocak; Ağar, Erbil

2009-08-01

Some novel azo compounds were prepared by the reaction of 2-hydroxyacetophenone with aniline and its substituted derivatives. The structures of synthesized azo compounds were determined by IR, UV-Vis, 1H NMR and 13C NMR spectroscopic techniques and the structures of some of these compounds were also determined by X-ray diffraction studies. Structural analysis using IR in solid state shows that the azo form is favoured in the azo compounds whereas UV-Vis analysis of the azo compounds in solution has shown that there is a azo and ionic form. The azo compounds in the basic solvents dimethylformamide (DMF) and dimethylsulfoxide (DMSO) are both azo and ionic form while these compounds in ethyl alcohol (EtOH) and chloroform (CHCl 3) are only azo form.

Robust visual tracking via structured multi-task sparse learning

KAUST Repository

Zhang, Tianzhu

2012-11-09

In this paper, we formulate object tracking in a particle filter framework as a structured multi-task sparse learning problem, which we denote as Structured Multi-Task Tracking (S-MTT). Since we model particles as linear combinations of dictionary templates that are updated dynamically, learning the representation of each particle is considered a single task in Multi-Task Tracking (MTT). By employing popular sparsity-inducing lp,q mixed norms (specifically p∈2,∞ and q=1), we regularize the representation problem to enforce joint sparsity and learn the particle representations together. As compared to previous methods that handle particles independently, our results demonstrate that mining the interdependencies between particles improves tracking performance and overall computational complexity. Interestingly, we show that the popular L1 tracker (Mei and Ling, IEEE Trans Pattern Anal Mach Intel 33(11):2259-2272, 2011) is a special case of our MTT formulation (denoted as the L11 tracker) when p=q=1. Under the MTT framework, some of the tasks (particle representations) are often more closely related and more likely to share common relevant covariates than other tasks. Therefore, we extend the MTT framework to take into account pairwise structural correlations between particles (e.g. spatial smoothness of representation) and denote the novel framework as S-MTT. The problem of learning the regularized sparse representation in MTT and S-MTT can be solved efficiently using an Accelerated Proximal Gradient (APG) method that yields a sequence of closed form updates. As such, S-MTT and MTT are computationally attractive. We test our proposed approach on challenging sequences involving heavy occlusion, drastic illumination changes, and large pose variations. Experimental results show that S-MTT is much better than MTT, and both methods consistently outperform state-of-the-art trackers. © 2012 Springer Science+Business Media New York.

Teamwork in Multi-Agent Systems A Formal Approach

CERN Document Server

Dunin-Keplicz, Barbara Maria

2010-01-01

What makes teamwork tick?. Cooperation matters, in daily life and in complex applications. After all, many tasks need more than a single agent to be effectively performed. Therefore, teamwork rules!. Teams are social groups of agents dedicated to the fulfilment of particular persistent tasks. In modern multiagent environments, heterogeneous teams often consist of autonomous software agents, various types of robots and human beings. Teamwork in Multi-agent Systems: A Formal Approach explains teamwork rules in terms of agents' attitudes and their complex interplay. It provides the first comprehe

Fuzzy multinomial logistic regression analysis: A multi-objective programming approach

Science.gov (United States)

Abdalla, Hesham A.; El-Sayed, Amany A.; Hamed, Ramadan

2017-05-01

Parameter estimation for multinomial logistic regression is usually based on maximizing the likelihood function. For large well-balanced datasets, Maximum Likelihood (ML) estimation is a satisfactory approach. Unfortunately, ML can fail completely or at least produce poor results in terms of estimated probabilities and confidence intervals of parameters, specially for small datasets. In this study, a new approach based on fuzzy concepts is proposed to estimate parameters of the multinomial logistic regression. The study assumes that the parameters of multinomial logistic regression are fuzzy. Based on the extension principle stated by Zadeh and Bárdossy's proposition, a multi-objective programming approach is suggested to estimate these fuzzy parameters. A simulation study is used to evaluate the performance of the new approach versus Maximum likelihood (ML) approach. Results show that the new proposed model outperforms ML in cases of small datasets.

Approaches in Characterizing Genetic Structure and Mapping in a Rice Multiparental Population.

Science.gov (United States)

Raghavan, Chitra; Mauleon, Ramil; Lacorte, Vanica; Jubay, Monalisa; Zaw, Hein; Bonifacio, Justine; Singh, Rakesh Kumar; Huang, B Emma; Leung, Hei

2017-06-07

Multi-parent Advanced Generation Intercross (MAGIC) populations are fast becoming mainstream tools for research and breeding, along with the technology and tools for analysis. This paper demonstrates the analysis of a rice MAGIC population from data filtering to imputation and processing of genetic data to characterizing genomic structure, and finally quantitative trait loci (QTL) mapping. In this study, 1316 S6:8 indica MAGIC (MI) lines and the eight founders were sequenced using Genotyping by Sequencing (GBS). As the GBS approach often includes missing data, the first step was to impute the missing SNPs. The observable number of recombinations in the population was then explored. Based on this case study, a general outline of procedures for a MAGIC analysis workflow is provided, as well as for QTL mapping of agronomic traits and biotic and abiotic stress, using the results from both association and interval mapping approaches. QTL for agronomic traits (yield, flowering time, and plant height), physical (grain length and grain width) and cooking properties (amylose content) of the rice grain, abiotic stress (submergence tolerance), and biotic stress (brown spot disease) were mapped. Through presenting this extensive analysis in the MI population in rice, we highlight important considerations when choosing analytical approaches. The methods and results reported in this paper will provide a guide to future genetic analysis methods applied to multi-parent populations. Copyright © 2017 Raghavan et al.

Approaches in Characterizing Genetic Structure and Mapping in a Rice Multiparental Population

Directory of Open Access Journals (Sweden)

Chitra Raghavan

2017-06-01

Full Text Available Multi-parent Advanced Generation Intercross (MAGIC populations are fast becoming mainstream tools for research and breeding, along with the technology and tools for analysis. This paper demonstrates the analysis of a rice MAGIC population from data filtering to imputation and processing of genetic data to characterizing genomic structure, and finally quantitative trait loci (QTL mapping. In this study, 1316 S6:8 indica MAGIC (MI lines and the eight founders were sequenced using Genotyping by Sequencing (GBS. As the GBS approach often includes missing data, the first step was to impute the missing SNPs. The observable number of recombinations in the population was then explored. Based on this case study, a general outline of procedures for a MAGIC analysis workflow is provided, as well as for QTL mapping of agronomic traits and biotic and abiotic stress, using the results from both association and interval mapping approaches. QTL for agronomic traits (yield, flowering time, and plant height, physical (grain length and grain width and cooking properties (amylose content of the rice grain, abiotic stress (submergence tolerance, and biotic stress (brown spot disease were mapped. Through presenting this extensive analysis in the MI population in rice, we highlight important considerations when choosing analytical approaches. The methods and results reported in this paper will provide a guide to future genetic analysis methods applied to multi-parent populations.

Stochastic identification of temperature effects on the dynamics of a smart composite beam: assessment of multi-model and global model approaches

International Nuclear Information System (INIS)

Hios, J D; Fassois, S D

2009-01-01

The temperature effects on the dynamics of a smart composite beam are experimentally studied via conventional multi-model and novel global model identification approaches. The multi-model approaches are based on non-parametric and parametric VARX representations, whereas the global model approaches are based on novel constant coefficient pooled (CCP) and functionally pooled (FP) VARX parametric representations. The analysis indicates that the obtained multi-model and global model representations are in rough overall agreement. Nevertheless, the latter simultaneously use all available data records offering more compact descriptions of the dynamics, improved numerical robustness and estimation accuracy, which is reflected in significantly reduced modal parameter uncertainties. Although the CCP-VARX representations provide only 'averaged' descriptions of the structural dynamics over temperature, their FP-VARX counterparts allow for the explicit, analytical modeling of temperature dependence exhibiting a 'smooth' deterministic dependence of the dynamics on temperature which is compatible with the physics of the problem. In accordance with previous studies, the obtained natural frequencies decrease with temperature in a weakly nonlinear or approximately linear fashion. The damping factors are less affected, although their dependence on temperature may be of a potentially more complex nature

A Multi-Agent Approach to the Simulation of Robotized Manufacturing Systems

Science.gov (United States)

Foit, K.; Gwiazda, A.; Banaś, W.

2016-08-01

The recent years of eventful industry development, brought many competing products, addressed to the same market segment. The shortening of a development cycle became a necessity if the company would like to be competitive. Because of switching to the Intelligent Manufacturing model the industry search for new scheduling algorithms, while the traditional ones do not meet the current requirements. The agent-based approach has been considered by many researchers as an important way of evolution of modern manufacturing systems. Due to the properties of the multi-agent systems, this methodology is very helpful during creation of the model of production system, allowing depicting both processing and informational part. The complexity of such approach makes the analysis impossible without the computer assistance. Computer simulation still uses a mathematical model to recreate a real situation, but nowadays the 2D or 3D virtual environments or even virtual reality have been used for realistic illustration of the considered systems. This paper will focus on robotized manufacturing system and will present the one of possible approaches to the simulation of such systems. The selection of multi-agent approach is motivated by the flexibility of this solution that offers the modularity, robustness and autonomy.

Synthesis of palladium nanoparticle modified reduced graphene oxide and multi-walled carbon nanotube hybrid structures for electrochemical applications

Energy Technology Data Exchange (ETDEWEB)

Hu, Jie, E-mail: hujie@tyut.edu.cn [Micro and Nano System Research Center, Key Lab of Advanced Transducers and Intelligent Control System (Ministry of Education) & College of Information Engineering, Taiyuan University of Technology, Taiyuan, 030024, Shanxi (China); Zhao, Zhenting; Zhang, Jun; Li, Gang; Li, Pengwei; Zhang, Wendong [Micro and Nano System Research Center, Key Lab of Advanced Transducers and Intelligent Control System (Ministry of Education) & College of Information Engineering, Taiyuan University of Technology, Taiyuan, 030024, Shanxi (China); Lian, Kun, E-mail: liankun@tyut.edu.cn [Micro and Nano System Research Center, Key Lab of Advanced Transducers and Intelligent Control System (Ministry of Education) & College of Information Engineering, Taiyuan University of Technology, Taiyuan, 030024, Shanxi (China); School of Nano-Science and Nano-Engineering, Suzhou & Collaborative Innovation Center of Suzhou Nano Science and Technology, Xi' an Jiaotong University, Xi' an, 710049 (China); Center for Advanced Microstructures and Devices, Louisiana State University, LA, 70806 (United States)

2017-02-28

Graphical abstract: A sensitive hydrazine electrochemical sensor was fabricated by using palladium (Pd) nanoparticle functionalized reduced graphene oxide (rGO) and multi-walled carbon nanotube (MWCNTs) hybrid structures (Pd/rGO-MWCNTs). - Highlights: • rGO-MWCNTs hybrid structures and Pd nanoparticles are prepared using electrochemical methods. • rGO-MWCNTs hybrid films are used as supports and co-catalysts for Pd nanoparticles. • The Pd/rGO-MWCNTs hybrid structure based sensor shows an ultra-high sensitivity of 7.09 μA μM{sup −1} cm{sup −2} and a low detection limit of 0.15 μM. • The proposed electrochemical sensor exhibits excellent selectivity. - Abstract: In this work, palladium (Pd) nanoparticles functionalized reduced graphene oxide (rGO) and multi-walled carbon nanotubes (MWCNTs) hybrid structures (Pd/rGO-MWCNTs) were successfully prepared by a combination of electrochemical reduction with electrodeposition method. The morphology, structure, and composition of the Pd/rGO-MWCNTs hybrid were characterized by scanning electron microscopy, transmission electron microscopy and energy dispersive spectroscopy. The as-synthesized hybrid structures were modified on the glassy carbon electrode (GCE) and further utilized for hydrazine sensing. Electrochemical impedance spectroscopic, cyclic voltammetry and single-potential amperometry experiments were carried out on Pd/rGO-MWCNTs hybrid structures to investigate the interface properties and sensing performance. The measured results demonstrate that the fabricated Pd/rGO-MWCNTs/GCE sensor show a high sensitivity of 7.09 μA μM{sup −1} cm{sup −2} in a large concentration range of 1.0 to 1100 μM and a low detection limit of 0.15 μM. Moreover, the as-prepared sensor exhibits good selectivity and stability for the determination of hydrazine under interference conditions.

Synthesis of palladium nanoparticle modified reduced graphene oxide and multi-walled carbon nanotube hybrid structures for electrochemical applications

International Nuclear Information System (INIS)

Hu, Jie; Zhao, Zhenting; Zhang, Jun; Li, Gang; Li, Pengwei; Zhang, Wendong; Lian, Kun

2017-01-01

Graphical abstract: A sensitive hydrazine electrochemical sensor was fabricated by using palladium (Pd) nanoparticle functionalized reduced graphene oxide (rGO) and multi-walled carbon nanotube (MWCNTs) hybrid structures (Pd/rGO-MWCNTs). - Highlights: • rGO-MWCNTs hybrid structures and Pd nanoparticles are prepared using electrochemical methods. • rGO-MWCNTs hybrid films are used as supports and co-catalysts for Pd nanoparticles. • The Pd/rGO-MWCNTs hybrid structure based sensor shows an ultra-high sensitivity of 7.09 μA μM"−"1 cm"−"2 and a low detection limit of 0.15 μM. • The proposed electrochemical sensor exhibits excellent selectivity. - Abstract: In this work, palladium (Pd) nanoparticles functionalized reduced graphene oxide (rGO) and multi-walled carbon nanotubes (MWCNTs) hybrid structures (Pd/rGO-MWCNTs) were successfully prepared by a combination of electrochemical reduction with electrodeposition method. The morphology, structure, and composition of the Pd/rGO-MWCNTs hybrid were characterized by scanning electron microscopy, transmission electron microscopy and energy dispersive spectroscopy. The as-synthesized hybrid structures were modified on the glassy carbon electrode (GCE) and further utilized for hydrazine sensing. Electrochemical impedance spectroscopic, cyclic voltammetry and single-potential amperometry experiments were carried out on Pd/rGO-MWCNTs hybrid structures to investigate the interface properties and sensing performance. The measured results demonstrate that the fabricated Pd/rGO-MWCNTs/GCE sensor show a high sensitivity of 7.09 μA μM"−"1 cm"−"2 in a large concentration range of 1.0 to 1100 μM and a low detection limit of 0.15 μM. Moreover, the as-prepared sensor exhibits good selectivity and stability for the determination of hydrazine under interference conditions.

Forecasting long memory series subject to structural change: A two-stage approach

DEFF Research Database (Denmark)

Papailias, Fotis; Dias, Gustavo Fruet

2015-01-01

A two-stage forecasting approach for long memory time series is introduced. In the first step, we estimate the fractional exponent and, by applying the fractional differencing operator, obtain the underlying weakly dependent series. In the second step, we produce multi-step-ahead forecasts...... for the weakly dependent series and obtain their long memory counterparts by applying the fractional cumulation operator. The methodology applies to both stationary and nonstationary cases. Simulations and an application to seven time series provide evidence that the new methodology is more robust to structural...

Multilevel probabilistic approach to evaluate manufacturing defect in composite aircraft structures

International Nuclear Information System (INIS)

Caracciolo, Paola

2014-01-01

In this work it is developed a reliable approach and its feasibility to the design and analysis of a composite structures. The metric is compared the robustness and reliability designs versus the traditional design, to demonstrate the gain that can be achieved with a probabilistic approach. The use of the stochastic approach of the uncertain parameteters in combination with the multi-scale levels analysis is the main objective of this paper. The work is dedicated to analyze the uncertainties in the design, tests, manufacturing process, and key gates such as materials characteristic

Multilevel probabilistic approach to evaluate manufacturing defect in composite aircraft structures

Energy Technology Data Exchange (ETDEWEB)

Caracciolo, Paola, E-mail: paola.caracciolo@airbus.com [AIRBUS INDUSTRIES Germany, Department of Airframe Architecture and Integration-Research and Technology-Kreetslag, 10, D-21129, Hamburg (Germany)

2014-05-15

In this work it is developed a reliable approach and its feasibility to the design and analysis of a composite structures. The metric is compared the robustness and reliability designs versus the traditional design, to demonstrate the gain that can be achieved with a probabilistic approach. The use of the stochastic approach of the uncertain parameteters in combination with the multi-scale levels analysis is the main objective of this paper. The work is dedicated to analyze the uncertainties in the design, tests, manufacturing process, and key gates such as materials characteristic.

The new MQ/AAO/Strasbourg multi-wavelength and spectroscopic PNe database: MASPN

Science.gov (United States)

Parker, Quentin Andrew; Bojicic, Ivan; Frew, David; Acker, Agnes; Ochsenbein, Francois; MASPN Database Team

2015-01-01

We are in a new golden age of PN discovery. This is thanks in particular to high sensitivity, wide-field, narrow-band surveys of the Galactic plane undertaken on the UKST in Australia and the Isaac Newton telescope on La Palma. Together these telescopes and their H-alpha surveys have provided very significant Planetary Nebulae (PNe) discoveries that have more than doubled the totals accrued by all telescopes over the previous 250 years. However, these PNe are not simply more of the same found in previous catalogues. Most new PNe are more obscured, evolved and of lower surface brightness than previous compilations while others are faint but compact and more distant. This has required an extensive and time-consuming programme of spectroscopic confirmation on a variety of 2m and 4m telescopes that is now largely complete. The scope of any future large-scale PNe studies, particularly those of a statistical nature or undertaken to understand true PNe diversity and evolution should now reflect this fresh PN population landscape of the combined sample of ~3500 Galactic PNe now available. Such studies should be coloured and nuanced by these recent major discoveries and the massive, high sensitivity, high resolution, multi-wavelength imaging surveys now available across much of the electromagnetic spectrum.Following this motivation we provide, for the first time, an accessible, reliable, on-line "one-stop" SQL database for essential, up-to date information for all known Galactic PN. We have attempted to: i) Reliably remove the many PN mimics/false ID's that have biased previous compilations and subsequent studies; ii) Provide accurate, updated positions, sizes, morphologies, radial velocities, fluxes, multi-wavelength imagery and spectroscopy; iii) Link to CDS/Vizier and hence provide archival history for each object; iv) Provide an interface to sift, select, browse, collate, investigate, download and visualise the complete currently known Galactic PNe diaspora and v

A study on multi-axial fatigue model based on structural stress

International Nuclear Information System (INIS)

Kim, Cheol; Kim, Jong Sung; Jin, Tae Eun; Dong, P.

2004-01-01

In nuclear components, cyclic loadings that cause complex states of stress are common. Through a reference review, four sources of the multi-axial fatigue data were collected from LBF, University of Illinois, EPRI, and TWI. All these tests were conducted using tube to flange specimens with a circumferential fillet welds. The loading conditions were mostly bending/ torsion combinations, except that TWI used tension/ torsion combinations. None of fatigue correlation parameters have been demonstrated to be satisfactory in correlating the multi-axial fatigue data outside of their own. In this paper, we proposed the characterizing multi-axial fatigue behavior in terms of the structural stress methods by using some of the well-known multi-axial fatigue data available in the references

MSCT multi-criteria: A novel approach in assessment of mediastinal lymph node metastases in non-small cell lung cancer

International Nuclear Information System (INIS)

Volterrani, Luca; Mazzei, Maria Antonietta; Banchi, Benedetta; Voltolini, Luca; La Sala, Filomena; Carbone, Salvatore Francesco; Ricci, Veronica; Gotti, Giuseppe; Zompatori, Maurizio

2011-01-01

Summary: Purpose: To evaluate the accuracy of multi-slice computed tomography (MSCT) in diagnosing mediastinal lymph node metastases in patients with non-small cell lung cancer (NSCLC) using a multi-criteria approach. Methods: We retrospectively reviewed contrast-enhanced MSCT of the chest in 86 consecutive patients with histopathologically proven NSCLC. All patients underwent surgical lymph node resection within 30 days from the CT examination. In all cases pathological and CT results were reviewed and correlated. Results: The sensitivity, specificity, positive and negative predictive values, and accuracy of MSCT using a multi-criteria approach in the detection of the N2 stage were 100%, 98.5%, 100%, 94.4% and 98.8% respectively, whereas using the size criterion alone 64%, 61%, 87%, 40%, and 62% respectively. Conclusions: To improve MSCT accuracy for diagnosing N staging other criteria can be associated with lymph node size. The use of different dimensional cut-offs for each mediastinal lymph node station, the matching of positive nodal stations with tumour location, the structural characteristics and the type of enhancement allow for a high accuracy of MSCT in the staging of mediastinal nodes in NSCLC.

Operational validation of a multi-period and multi-criteria model conditioning approach for the prediction of rainfall-runoff processes in small forest catchments

Science.gov (United States)

Choi, H.; Kim, S.

2012-12-01

Most of hydrologic models have generally been used to describe and represent the spatio-temporal variability of hydrological processes in the watershed scale. Though it is an obvious fact that hydrological responses have the time varying nature, optimal values of model parameters were normally considered as time invariants or constants in most cases. The recent paper of Choi and Beven (2007) presents a multi-period and multi-criteria model conditioning approach. The approach is based on the equifinality thesis within the Generalised Likelihood Uncertainty Estimation (GLUE) framework. In their application, the behavioural TOPMODEL parameter sets are determined by several performance measures for global (annual) and short (30-days) periods, clustered using a Fuzzy C-means algorithm, into 15 types representing different hydrological conditions. Their study shows a good performance on the calibration of a rainfall-runoff model in a forest catchment, and also gives strong indications that it is uncommon to find model realizations that were behavioural over all multi-periods and all performance measures, and multi-period model conditioning approach may become new effective tool for predictions of hydrological processes in ungauged catchments. This study is a follow-up study on the Choi and Beven's (2007) model conditioning approach to test how the approach is effective for the prediction of rainfall-runoff responses in ungauged catchments. To achieve this purpose, 6 small forest catchments are selected among the several hydrological experimental catchments operated by Korea Forest Research Institute. In each catchment, long-term hydrological time series data varying from 10 to 30 years were available. The areas of the selected catchments range from 13.6 to 37.8 ha, and all areas are covered by coniferous or broad-leaves forests. The selected catchments locate in the southern coastal area to the northern part of South Korea. The bed rocks are Granite gneiss, Granite or

A Comprehensive Structural Dynamic Analysis Approach for Multi Mission Earth Entry Vehicle (MMEEV) Development

Science.gov (United States)

Perino, Scott; Bayandor, Javid; Siddens, Aaron

2012-01-01

The anticipated NASA Mars Sample Return Mission (MSR) requires a simple and reliable method in which to return collected Martian samples back to earth for scientific analysis. The Multi-Mission Earth Entry Vehicle (MMEEV) is NASA's proposed solution to this MSR requirement. Key aspects of the MMEEV are its reliable and passive operation, energy absorbing foam-composite structure, and modular impact sphere (IS) design. To aid in the development of an EEV design that can be modified for various missions requirements, two fully parametric finite element models were developed. The first model was developed in an explicit finite element code and was designed to evaluate the impact response of the vehicle and payload during the final stage of the vehicle's return to earth. The second model was developed in an explicit code and was designed to evaluate the static and dynamic structural response of the vehicle during launch and reentry. In contrast to most other FE models, built through a Graphical User Interface (GUI) pre-processor, the current model was developed using a coding technique that allows the analyst to quickly change nearly all aspects of the model including: geometric dimensions, material properties, load and boundary conditions, mesh properties, and analysis controls. Using the developed design tool, a full range of proposed designs can quickly be analyzed numerically and thus the design trade space for the EEV can be fully understood. An engineer can then quickly reach the best design for a specific mission and also adapt and optimize the general design for different missions.

A probabilistic approach to the management of multi-stage multicriteria process

Directory of Open Access Journals (Sweden)

Yu. V. Bugaev

2017-01-01

Full Text Available Currently, any production process is viewed as the primary means of profit and competitiveness, in other words, becomes the dominant process approach. In this approach, the final product production appears network of interconnected processing steps during which the conversion of inputs into outputs, with a stable, accurate executable, high process most efficiently and cost-effectively provides a planned quality. An example is the organization of bread production. For the modern period is characterized by the classical recovery technology that allows to improve the palatability of bread, enhance its flavor, longer-lasting freshness. Baking is a process to be controlled in order to obtain the required quality parameters of the final product. One of the new and promising methods of quality management processes is a probabilistic method to determine the increase in the probability of release of quality products within the resources allocated for measures to improve the quality level. The paper was applied a quality management concept is based on a probabilistic approach for the multi-step process, which consists in the fact that as one of the main criteria adopted by the probability of release of high-quality products. However, it is obvious that the implementation of certain measures for its improvement requires the connection of certain resources that, first of all, is inevitably associated with certain cash costs. Thus, we arrive at an optimal control problem, which has at least two criteria - probability qualitative completion of the process, which should be maximized and the total costs of the corrective measures that need to be minimized. The authors of the idealized model of optimal control has been developed for the case when a single event affects only a single step. a special case of vector Uorshall-Floyd algorithm was used to optimize the structure of a multi-step process. The use of vector optimization on graphs allowed the authors to

Rare-earth metal compounds with a novel ligand 2-methoxycinnamylidenepyruvate: A thermal and spectroscopic approach

Energy Technology Data Exchange (ETDEWEB)

Carvalho, C.T., E-mail: claudiocarvalho@ufgd.edu.br [Federal University of Grande Dourados, UFGD, 79.804-970 Dourados, MS (Brazil); Oliveira, G.F. [Federal University of Grande Dourados, UFGD, 79.804-970 Dourados, MS (Brazil); Fernandes, J. [Federal University of Grande Dourados, UFGD, 79.804-970 Dourados, MS (Brazil); Federal University of Mato Grosso, UFMT, 78.060-900 Cuiabá, MT (Brazil); Federal University of Goiás, UFG, 74.690-900, Goiânia, GO (Brazil); Institute of Chemistry, UNESP, 14.801-970 Araraquara, SP (Brazil); Siqueira, A.B. [Federal University of Mato Grosso, UFMT, 78.060-900 Cuiabá, MT (Brazil); Ionashiro, E.Y. [Federal University of Goiás, UFG, 74.690-900, Goiânia, GO (Brazil); Ionashiro, M. [Institute of Chemistry, UNESP, 14.801-970 Araraquara, SP (Brazil)

2016-08-10

Highlights: • 2-Methoxycinnamylidenepyruvate as a novel ligand for the synthesis of complexes. • Complexes with well-defined structural arrangements. • Thermal decomposition dependent on the nature of the metal ion. • Study by TG/FT-IR and TG/MS of the gaseous products released. • Potential technological application. - Abstract: Compounds of 2-methoxycinnamylidenepyruvate with trivalent lanthanide ions (Tb, Ho, Er, Tm, Yb and Lu) were obtained in solid state and studied mainly in terms of their thermal and spectroscopic properties. The analyses of the characterization were performed by thermogravimetric system coupled to a mass and infrared spectrometer (TG–DTA/MS and TG–DTA/FT-IR), X-ray powder diffractometry, differential scanning calorimetry (DSC), infrared (FT-IR), preliminary study of fluorescence as well as classical technique of titration with EDTA. From these results, it was possible to establish the stoichiometry, thermal behavior, hydration water content, and the gaseous products released in the thermal decomposition steps, and suggest the type of metal-ligand coordination.

Multi-model approach to characterize human handwriting motion.

Science.gov (United States)

Chihi, I; Abdelkrim, A; Benrejeb, M

2016-02-01

This paper deals with characterization and modelling of human handwriting motion from two forearm muscle activity signals, called electromyography signals (EMG). In this work, an experimental approach was used to record the coordinates of a pen tip moving on the (x, y) plane and EMG signals during the handwriting act. The main purpose is to design a new mathematical model which characterizes this biological process. Based on a multi-model approach, this system was originally developed to generate letters and geometric forms written by different writers. A Recursive Least Squares algorithm is used to estimate the parameters of each sub-model of the multi-model basis. Simulations show good agreement between predicted results and the recorded data.

A multi-criteria optimization and decision-making approach for improvement of food engineering processes

Directory of Open Access Journals (Sweden)

Alik Abakarov

2013-04-01

Full Text Available The objective of this study was to propose a multi-criteria optimization and decision-making technique to solve food engineering problems. This technique was demonstrated using experimental data obtained on osmotic dehydration of carrot cubes in a sodium chloride solution. The Aggregating Functions Approach, the Adaptive Random Search Algorithm, and the Penalty Functions Approach were used in this study to compute the initial set of non-dominated or Pareto-optimal solutions. Multiple non-linear regression analysis was performed on a set of experimental data in order to obtain particular multi-objective functions (responses, namely water loss, solute gain, rehydration ratio, three different colour criteria of rehydrated product, and sensory evaluation (organoleptic quality. Two multi-criteria decision-making approaches, the Analytic Hierarchy Process (AHP and the Tabular Method (TM, were used simultaneously to choose the best alternative among the set of non-dominated solutions. The multi-criteria optimization and decision-making technique proposed in this study can facilitate the assessment of criteria weights, giving rise to a fairer, more consistent, and adequate final compromised solution or food process. This technique can be useful to food scientists in research and education, as well as to engineers involved in the improvement of a variety of food engineering processes.

Chemical and spectroscopic characterization of a vegetable oil used as dielectric coolant in distribution transformers

Energy Technology Data Exchange (ETDEWEB)

Gomez, Neffer A.; Abonia, Rodrigo, E-mail: rodrigo.abonia@correounivalle.edu.co [Departamento de Quimica, Escuela de Ingenieria Electrica, Universidad del Valle, Cali (Colombia); Cadavid, Hector [Grupo GRALTA, Escuela de Ingenieria Electrica, Universidad del Valle, Cali (Colombia); Vargas, Ines H. [Area de Ingenieria de Distribucion, Empresas Publicas de Medellin (EPM), Medellin (Colombia)

2011-09-15

In this work, a complete UV-Vis, IR and (1H, 13C and DEPT) NMR spectroscopic analysis was performed for a FR3 vegetable oil sample used as dielectric coolant in an experimental distribution transformer. The same spectroscopic analysis was performed for three used FR3 oil samples (i.e., 4 months in use, 8 months in use and 7 years in use), removed from several operating distribution transformers. Comparison of the data indicated that no significant spectroscopic changes, and hence, no structural changes occurred to the oils by the use. Chemical transformations like catalytic hydrogenation (hardening) and hydrolysis were performed to the FR3 oil sample and the obtained products were analyzed by spectroscopic methods in order to collect further structural information about the FR3 oil. Accelerated aging tests in laboratory were also performed for three FR3 oil samples affording interesting information about the structure of the degradation products. These findings would be valuable to search for a spectroscopy-based technique for monitoring the lifetime and performance of this insulating vegetable oil. (author)

Integrated approach for fusion multi-physics coupled analyses based on hybrid CAD and mesh geometries

Energy Technology Data Exchange (ETDEWEB)

Qiu, Yuefeng, E-mail: yuefeng.qiu@kit.edu; Lu, Lei; Fischer, Ulrich

2015-10-15

Highlights: • Integrated approach for neutronics, thermal and structural analyses was developed. • MCNP5/6, TRIPOLI-4 were coupled with CFX, Fluent and ANSYS Workbench. • A novel meshing approach has been proposed for describing MC geometry. - Abstract: Coupled multi-physics analyses on fusion reactor devices require high-fidelity neutronic models, and flexible, accurate data exchanging between various calculation codes. An integrated coupling approach has been developed to enable the conversion of CAD, mesh, or hybrid geometries for Monte Carlo (MC) codes MCNP5/6, TRIPOLI-4, and translation of nuclear heating data for CFD codes Fluent, CFX and structural mechanical software ANSYS Workbench. The coupling approach has been implemented based on SALOME platform with CAD modeling, mesh generation and data visualization capabilities. A novel meshing approach has been developed for generating suitable meshes for MC geometry descriptions. The coupling approach has been concluded to be reliable and efficient after verification calculations of several application cases.

Imaging spectroscopic analysis at the Advanced Light Source

International Nuclear Information System (INIS)

MacDowell, A. A.; Warwick, T.; Anders, S.; Lamble, G.M.; Martin, M.C.; McKinney, W.R.; Padmore, H.A.

1999-01-01

One of the major advances at the high brightness third generation synchrotrons is the dramatic improvement of imaging capability. There is a large multi-disciplinary effort underway at the ALS to develop imaging X-ray, UV and Infra-red spectroscopic analysis on a spatial scale from. a few microns to 10nm. These developments make use of light that varies in energy from 6meV to 15KeV. Imaging and spectroscopy are finding applications in surface science, bulk materials analysis, semiconductor structures, particulate contaminants, magnetic thin films, biology and environmental science. This article is an overview and status report from the developers of some of these techniques at the ALS. The following table lists all the currently available microscopes at the. ALS. This article will describe some of the microscopes and some of the early applications

Controlled synthesis of multi-shelled transition metal oxide hollow structures through one-pot solution route

Institute of Scientific and Technical Information of China (English)

Xi Wang; Yi-Jun Yang; Ying Ma; Jian-Nian Yao

2013-01-01

As one type of promising candidates fot environmental and energy-related systems,multi-shelled transition metal oxide hollow structures (MS-TMOHSs) have drawn great scientific and technical interest in the past few years.This article highlights recent advances in one-pot solution synthesis of MS-TMOHSs.We begin it with an overview of synthetic strategies that have been exploited to achieve these peculiar structures.We then focus on one-pot solution approaches in the following four sections:i) soft templates directed growth; ii) Ostwald ripening; iii) controlled etching; and iv) gas bubble assisted growth.After giving a brief discussion on the unique properties and applications of these multi-shelled hollow structures,we conclude this review with the general challenges and the potential future directions of this exciting area of research.

Fuzzy Multi-objective Linear Programming Approach

Directory of Open Access Journals (Sweden)

Amna Rehmat

2007-07-01

Full Text Available Traveling salesman problem (TSP is one of the challenging real-life problems, attracting researchers of many fields including Artificial Intelligence, Operations Research, and Algorithm Design and Analysis. The problem has been well studied till now under different headings and has been solved with different approaches including genetic algorithms and linear programming. Conventional linear programming is designed to deal with crisp parameters, but information about real life systems is often available in the form of vague descriptions. Fuzzy methods are designed to handle vague terms, and are most suited to finding optimal solutions to problems with vague parameters. Fuzzy multi-objective linear programming, an amalgamation of fuzzy logic and multi-objective linear programming, deals with flexible aspiration levels or goals and fuzzy constraints with acceptable deviations. In this paper, a methodology, for solving a TSP with imprecise parameters, is deployed using fuzzy multi-objective linear programming. An example of TSP with multiple objectives and vague parameters is discussed.

Generating multi-double-scroll attractors via nonautonomous approach.

Science.gov (United States)

Hong, Qinghui; Xie, Qingguo; Shen, Yi; Wang, Xiaoping

2016-08-01

It is a common phenomenon that multi-scroll attractors are realized by introducing the various nonlinear functions with multiple breakpoints in double scroll chaotic systems. Differently, we present a nonautonomous approach for generating multi-double-scroll attractors (MDSA) without changing the original nonlinear functions. By using the multi-level-logic pulse excitation technique in double scroll chaotic systems, MDSA can be generated. A Chua's circuit, a Jerk circuit, and a modified Lorenz system are given as designed example and the Matlab simulation results are presented. Furthermore, the corresponding realization circuits are designed. The Pspice results are in agreement with numerical simulation results, which verify the availability and feasibility of this method.

Invasive placental disease: the impact of a multi-disciplinary team approach to management.

Science.gov (United States)

Smulian, John C; Pascual, Ana-Liza; Hesham, Helai; Qureshey, Emma; Bijoy Thomas, M; Depuy, Amy M; Flicker, Amanda B; Scorza, William E

2017-06-01

To determine the impact of a structured multi-disciplinary management strategy on clinical outcomes in women with invasive placental disease (IPD). This was a retrospective cohort study of consecutive women having peripartum hysterectomies with IPD over seven years. For the most recent three years, a structured multidisciplinary team (MDT) reviewed each suspected case, created a management plan, and implemented that plan. Outcomes were compared between cases delivered prior to and after the MDT process was started. There were 47 pregnancies with IPD, of which 31 (66.0%) were suspected antenatally and 40 (85.1%) had a prior uterine surgery. An MDT approach was performed in 19 (40.4%) cases. In the MDT group, there were longer operative times (260 min versus 181 min, p = 0.0001), less blood loss (1200 mL versus 2500 mL, p = 0.009), less administration of blood products (47.4% versus 85.7%, p = 0.005), and higher intraoperative lowest mean arterial pressures (MAPs) (57 mmHg versus 48 mmHg, p = 0.002, when compared to the No-MDT (n = 28) approach. No differences were found for other outcomes. Clinically meaningful improvements of less blood loss, fewer transfusions, and higher intraoperative MAPs suggest that MDT cases were more stable intraoperatively, which over a larger number of patients, should translate into improved outcomes.

A multi-frequency approach to free electron lasers driven by short electron bunches

International Nuclear Information System (INIS)

Piovella, Nicola

1997-01-01

A multi-frequency model for free electron lasers (FELs), based on the Fourier decomposition of the radiation field coupled with the beam electrons, is discussed. We show that the multi-frequency approach allows for an accurate description of the evolution of the radiation spectrum, also when the FEL is driven by short electron bunches, of arbitrary longitudinal profile. We derive from the multi-frequency model, by averaging over one radiation period, the usual FEL equations modelling the slippage between radiation and particles and describing the super-radiant regime in high-gain FELs. As an example of application of the multi-frequency model, we discuss the coherent spontaneous emission (CSE) from short electron bunches

OBJECT-ORIENTED CHANGE DETECTION BASED ON MULTI-SCALE APPROACH

Directory of Open Access Journals (Sweden)

Y. Jia

2016-06-01

Full Text Available The change detection of remote sensing images means analysing the change information quantitatively and recognizing the change types of the surface coverage data in different time phases. With the appearance of high resolution remote sensing image, object-oriented change detection method arises at this historic moment. In this paper, we research multi-scale approach for high resolution images, which includes multi-scale segmentation, multi-scale feature selection and multi-scale classification. Experimental results show that this method has a stronger advantage than the traditional single-scale method of high resolution remote sensing image change detection.

A simultaneous multi-slice selective J-resolved experiment for fully resolved scalar coupling information

Science.gov (United States)

Zeng, Qing; Lin, Liangjie; Chen, Jinyong; Lin, Yanqin; Barker, Peter B.; Chen, Zhong

2017-09-01

Proton-proton scalar coupling plays an important role in molecular structure elucidation. Many methods have been proposed for revealing scalar coupling networks involving chosen protons. However, determining all JHH values within a fully coupled network remains as a tedious process. Here, we propose a method termed as simultaneous multi-slice selective J-resolved spectroscopy (SMS-SEJRES) for simultaneously measuring JHH values out of all coupling networks in a sample within one experiment. In this work, gradient-encoded selective refocusing, PSYCHE decoupling and echo planar spectroscopic imaging (EPSI) detection module are adopted, resulting in different selective J-edited spectra extracted from different spatial positions. The proposed pulse sequence can facilitate the analysis of molecular structures. Therefore, it will interest scientists who would like to efficiently address the structural analysis of molecules.

Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine

Science.gov (United States)

Subhapriya, G.; Kalyanaraman, S.; Jeyachandran, M.; Ragavendran, V.; Krishnakumar, V.

2018-04-01

Synthesized 4-nitro-N-(2,4-dinitrophenyl) benzenamine (NDPBA) molecule was confirmed applying the tool of NMR. Theoretical prediction addressed the NMR chemical shifts and correlated well with the experimental data. The molecule subjected to theoretical DFT at 6-311++G** level unraveled the spectroscopic and structural properties of the NDPBA molecule. Moreover the structural features proved the occurrence of intramolecular Nsbnd H· · O hydrogen bonding in the molecule which was further confirmed with the help of Frontier molecular orbital analysis. Vibrational spectroscopic characterization through FT-IR and Raman experimentally and theoretically gave an account for the vibrational properties. An illustration of the topology of the molecule theoretically helped also in finding the hydrogen bonding energy.

A multi-objective approach to improve SWAT model calibration in alpine catchments

Science.gov (United States)

Tuo, Ye; Marcolini, Giorgia; Disse, Markus; Chiogna, Gabriele

2018-04-01

Multi-objective hydrological model calibration can represent a valuable solution to reduce model equifinality and parameter uncertainty. The Soil and Water Assessment Tool (SWAT) model is widely applied to investigate water quality and water management issues in alpine catchments. However, the model calibration is generally based on discharge records only, and most of the previous studies have defined a unique set of snow parameters for an entire basin. Only a few studies have considered snow observations to validate model results or have taken into account the possible variability of snow parameters for different subbasins. This work presents and compares three possible calibration approaches. The first two procedures are single-objective calibration procedures, for which all parameters of the SWAT model were calibrated according to river discharge alone. Procedures I and II differ from each other by the assumption used to define snow parameters: The first approach assigned a unique set of snow parameters to the entire basin, whereas the second approach assigned different subbasin-specific sets of snow parameters to each subbasin. The third procedure is a multi-objective calibration, in which we considered snow water equivalent (SWE) information at two different spatial scales (i.e. subbasin and elevation band), in addition to discharge measurements. We tested these approaches in the Upper Adige river basin where a dense network of snow depth measurement stations is available. Only the set of parameters obtained with this multi-objective procedure provided an acceptable prediction of both river discharge and SWE. These findings offer the large community of SWAT users a strategy to improve SWAT modeling in alpine catchments.

Multi-spectroscopic techniques to evaluate the toxicity of alloyed CdSeS quantum dots

International Nuclear Information System (INIS)

Zhan Hongju; Zhou Peijiang; Ding Ling; He Zhenyu; Ma Rong

2012-01-01

Alloyed CdSeS quantum dots (QDs) were successfully synthesized in aqueous phase using microwave irradiation. UV–vis spectroscopy, fluorescence spectroscopy, transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques proved that the prepared alloyed QDs are composed of a CdSe-rich core and thick CdS shell with homogeneous size distributions. In order to study its biological toxicity, multi-spectroscopic techniques were adopted to investigate their conjugation with BSA. Fluorescence quenching methods indicated the prepared CdSeS QDs strongly quenched the fluorescence of BSA due to the formation of non-fluorescence ground-state complex. UV–vis absorbance spectra, synchronous fluorescence spectra and CD spectra further confirmed the alloyed CdSeS QDs binded with BSA and destroyed their hydrogen bonding networks, which induced the conformation changes of this macromolecule. - Highlights: ► Synthesis of alloyed CdSeS QDs in aqueous phase via microwave irradiation. ► Characterization of alloyed QDs by PL, UV–vis, XRD and TEM techniques. ► Evidence of static quenching between alloyed QDs and BSA. ► Evidence of the conformation change of BSA molecules induced by alloyed QDs.

Thermal, spectroscopic, and ab initio structural characterization of carprofen polymorphs.

Science.gov (United States)

Bruni, Giovanna; Gozzo, Fabia; Capsoni, Doretta; Bini, Marcella; Macchi, Piero; Simoncic, Petra; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Ferrari, Stefania; Marini, Amedeo

2011-06-01

Commercial and recrystallized polycrystalline samples of carprofen, a nonsteroidal anti-inflammatory drug, were studied by thermal, spectroscopic, and structural techniques. Our investigations demonstrated that recrystallized sample, stable at room temperature (RT), is a single polymorphic form of carprofen (polymorph I) that undergoes an isostructural polymorphic transformation by heating (polymorph II). Polymorph II remains then metastable at ambient conditions. Commercial sample is instead a mixture of polymorphs I and II. The thermodynamic relationships between the two polymorphs were determined through the construction of an energy/temperature diagram. The ab initio structural determination performed on synchrotron X-Ray powder diffraction patterns recorded at RT on both polymorphs allowed us to elucidate, for the first time, their crystal structure. Both crystallize in the monoclinic space group type P2(1) /c, and the unit cell similarity index and the volumetric isostructurality index indicate that the temperature-induced polymorphic transformation I → II is isostructural. Polymorphs I and II are conformational polymorphs, sharing a very similar hydrogen bond network, but with different conformation of the propanoic skeleton, which produces two different packing. The small conformational change agrees with the low value of transition enthalpy obtained by differential scanning calorimetry measurements and the small internal energy computed with density functional methods. Copyright © 2011 Wiley-Liss, Inc.

On a morphological approach of the meso-structure for the multi-scale analysis of the thermo-hydro-mechanical behaviour of cementitious materials

International Nuclear Information System (INIS)

Le, T.T.H.

2011-01-01

The investigation of the behavior of heated concrete is a major research topic which concerns the assessment of safety level of structures when exposed to high temperatures, for instance during a fire. For this purpose, several modeling approaches were developed within thermo-hydro-mechanical (THM) frameworks in order to take into account the involved physic-chemical and mechanical processes that affect stability of heated concrete. However, existing models often do note account explicitly for the heterogeneity of the material: concrete is composite material that may be schematized as an assembly of inclusions (aggregates) embedded in a cementitious matrix (cement paste). This latter may be described as a partially saturated open porous medium. The aggregates are characterized by their mineralogical nature together with their morphology and size distribution. The material heterogeneity bring an additional complexity: the need to take into account the microstructure in order to quantify the effect of matrix-inclusion thermal, hygral and mechanical incompatibilities on the THM behavior of concrete. This work is a first step in this direction. For this purpose, a three-dimensional (3D) multi-scale finite element model is developed. It allows affecting specific behaviors to matrix and inclusions. For the former, where mass transports occur within the connected porous network, a three-fluids approach (liquid water, vapor and dry air) is adopted and is coupled to a poro-mechanical damage based approach. For inclusions (aggregates) no hygral component arises a pure thermo-mechanical model is considered. The developed model is then used to investigate, either by 2D or 3D numerical simulations, effects of mineralogical nature, morphology and distribution of aggregates. Studied effects have mainly concerned the influence of these parameters on local fluctuations of simulated temperature, gas pressure and damage fields with regard to experimentally observed dispersion. The

Structural and spectroscopic studies on Er3+ doped boro-tellurite glasses

Science.gov (United States)

Selvaraju, K.; Marimuthu, K.

2012-04-01

Er3+ doped boro-tellurite glasses with the chemical composition (69-x)B2O3-xTeO2-15MgO-15K2O-1Er2O3 (where x=0, 10, 20, 30 and 40 wt%) have been prepared and their structural and spectroscopic behavior were studied and reported. The varying tellurium dioxide content in the host matrix that results, changes in structural and spectroscopic behavior around Er3+ ions are explored through XRD, FTIR, UV-VIS-NIR and luminescence measurements. The XRD pattern confirms the amorphous nature of the prepared glasses and the FTIR spectra explore the fundamental groups and the local structural units in the prepared boro-tellurite glasses. The bonding parameters (βbar and δ) have been calculated from the observed band positions of the absorption spectra to claim the ionic/covalent nature of the prepared glasses. The Judd-Ofelt (JO) intensity parameters Ωλ (λ=2, 4 and 6) were determined through experimental and calculated oscillator strengths obtained from the absorption spectra and their results are studied and compared with reported literature. The variation in the JO parameters Ωλ (λ=2, 4 and 6) with the change in chemical composition have been discussed in detail. The JO parameters have also been used to derive the important radiative properties like transition probability (A), branching ratio (βR) and peak stimulated emission cross-section (σPE) for the excited state transitions 2H9/2→4I15/2 and 2H11/2 and 4S3/2→4I15/2 of the Er3+ ions and the results were studied and reported. Using Davis and Mott theory, optical band gap energy (Eopt) values for the direct and indirect allowed transitions have been calculated and discussed along with the Urbach energy values for the prepared Er3+ doped boro-tellurite glasses in the present study. The optical properties of the prepared glasses with the change in tellurium dioxide have been studied and compared with similar results.

A New Approach for Severity Estimation of Transversal Cracks in Multi-layered Beams

Directory of Open Access Journals (Sweden)

Gilbert-Rainer Gillich

Full Text Available Abstract Nowadays, the damage severity evaluation in mechanical structures is mostly performed by analyzing the natural frequency shift. The non-isotropic materials, as the multi-layered ones, are wide-spread in industrial applications, due to their interesting physic-mechanical properties. Thus, a deeper approach of multi-layered beams becomes an important request in the research domain. This paper introduces a damage severity estimator by expressing the crack evolution as a function of stored energy. It is well known that the energy stored in a beam without damage is greater than the energy of that damaged beam. As a consequence, the beam deflection can be related to the stored energy. In this regard, the possibility to split the damage localization and the damage severity assessment has been proven, and also the graphical evolution of the natural frequency shift has been achieved as a function of the crack depth. The results achieved by the finite element method (FEM and experimental tests are given in tables and graphics. For the first five vibration modes, a comparison was made between frequencies accomplished by analytical, numerical and experimental analyses, in order to give more credibility to the accuracy of the research data presented in this paper.

Experimental analysis on stress wave in inhomogeneous multi-layered structures

International Nuclear Information System (INIS)

Cho, Yun Ho; Ham, Hyo Sick

1998-01-01

The guided wave propagation in inhomogeneous multi-layered structures is experimentally explored based on theoretical dispersion curves. It turns out that proper selection of incident angle and frequency is critical for guided wave generation in multi-layered structures. Theoretical dispersion curves greatly depend on adhesive zone thickness, layer thickness and material properties. It was possible to determine the adhesive zone thickness of an inhomogeneous multi-layered structure by monitoring experimentally the change of dispersion curves.

Promoting Affordability in Defense Acquisitions: A Multi-Period Portfolio Approach

Science.gov (United States)

2014-04-30

has evolved out of many areas of research, ranging from economics to modern control theory (Powell, 2011). The general form of a dynamic programming...states 5 School of Aeronautics & Astronautics A Portfolio Approach: Background • Balance expected profit (performance) against risk ( variance ) in...investments (Markowitz 1952) • Efficiency frontier of optimal portfolios given investor risk averseness • Extends to multi-period case with various

Spectroscopic failures in photometric redshift calibration: cosmological biases and survey requirements

Energy Technology Data Exchange (ETDEWEB)

Cunha, Carlos E. [KIPAC, Menlo Park; Huterer, Dragan [Michigan U.; Lin, Huan [Fermilab; Busha, Michael T. [Zurich U.; Wechsler, Risa H. [SLAC

2014-10-11

We use N-body-spectro-photometric simulations to investigate the impact of incompleteness and incorrect redshifts in spectroscopic surveys to photometric redshift training and calibration and the resulting effects on cosmological parameter estimation from weak lensing shear-shear correlations. The photometry of the simulations is modeled after the upcoming Dark Energy Survey and the spectroscopy is based on a low/intermediate resolution spectrograph with wavelength coverage of 5500{\\AA} < {\\lambda} < 9500{\\AA}. The principal systematic errors that such a spectroscopic follow-up encounters are incompleteness (inability to obtain spectroscopic redshifts for certain galaxies) and wrong redshifts. Encouragingly, we find that a neural network-based approach can effectively describe the spectroscopic incompleteness in terms of the galaxies' colors, so that the spectroscopic selection can be applied to the photometric sample. Hence, we find that spectroscopic incompleteness yields no appreciable biases to cosmology, although the statistical constraints degrade somewhat because the photometric survey has to be culled to match the spectroscopic selection. Unfortunately, wrong redshifts have a more severe impact: the cosmological biases are intolerable if more than a percent of the spectroscopic redshifts are incorrect. Moreover, we find that incorrect redshifts can also substantially degrade the accuracy of training set based photo-z estimators. The main problem is the difficulty of obtaining redshifts, either spectroscopically or photometrically, for objects at z > 1.3. We discuss several approaches for reducing the cosmological biases, in particular finding that photo-z error estimators can reduce biases appreciably.

Bayesian Mixed Hidden Markov Models: A Multi-Level Approach to Modeling Categorical Outcomes with Differential Misclassification

Science.gov (United States)

Zhang, Yue; Berhane, Kiros

2014-01-01

Questionnaire-based health status outcomes are often prone to misclassification. When studying the effect of risk factors on such outcomes, ignoring any potential misclassification may lead to biased effect estimates. Analytical challenges posed by these misclassified outcomes are further complicated when simultaneously exploring factors for both the misclassification and health processes in a multi-level setting. To address these challenges, we propose a fully Bayesian Mixed Hidden Markov Model (BMHMM) for handling differential misclassification in categorical outcomes in a multi-level setting. The BMHMM generalizes the traditional Hidden Markov Model (HMM) by introducing random effects into three sets of HMM parameters for joint estimation of the prevalence, transition and misclassification probabilities. This formulation not only allows joint estimation of all three sets of parameters, but also accounts for cluster level heterogeneity based on a multi-level model structure. Using this novel approach, both the true health status prevalence and the transition probabilities between the health states during follow-up are modeled as functions of covariates. The observed, possibly misclassified, health states are related to the true, but unobserved, health states and covariates. Results from simulation studies are presented to validate the estimation procedure, to show the computational efficiency due to the Bayesian approach and also to illustrate the gains from the proposed method compared to existing methods that ignore outcome misclassification and cluster level heterogeneity. We apply the proposed method to examine the risk factors for both asthma transition and misclassification in the Southern California Children's Health Study (CHS). PMID:24254432

THE zCOSMOS 10k-BRIGHT SPECTROSCOPIC SAMPLE

International Nuclear Information System (INIS)

Lilly, Simon J.; Maier, Christian; Carollo, Marcella; Caputi, Karina; Le Brun, Vincent; Kneib, Jean-Paul; Le Fevre, Olivier; De la Torre, Sylvain; De Ravel, Loic; Mainieri, Vincenzo; Mignoli, Marco; Zamorani, Gianni; Bardelli, Sandro; Bolzonella, Micol; Coppa, Graziano; Scodeggio, Marco; Contini, Thierry; Renzini, Alvio; Bongiorno, Angela; Cucciati, Olga

2009-01-01

We present spectroscopic redshifts of a large sample of galaxies with I AB -1 , independent of redshift. The reliability of individual redshifts is described by a Confidence Class that has been empirically calibrated through repeat spectroscopic observations of over 600 galaxies. There is very good agreement between spectroscopic and photometric redshifts for the most secure Confidence Classes. For the less secure Confidence Classes, there is a good correspondence between the fraction of objects with a consistent photometric redshift and the spectroscopic repeatability, suggesting that the photometric redshifts can be used to indicate which of the less secure spectroscopic redshifts are likely right and which are probably wrong, and to give an indication of the nature of objects for which we failed to determine a redshift. Using this approach, we can construct a spectroscopic sample that is 99% reliable and which is 88% complete in the sample as a whole, and 95% complete in the redshift range 0.5 < z < 0.8. The luminosity and mass completeness levels of the zCOSMOS-bright sample of galaxies is also discussed.

NLP model and stochastic multi-start optimization approach for heat exchanger networks

International Nuclear Information System (INIS)

Núñez-Serna, Rosa I.; Zamora, Juan M.

2016-01-01

Highlights: • An NLP model for the optimal design of heat exchanger networks is proposed. • The NLP model is developed from a stage-wise grid diagram representation. • A two-phase stochastic multi-start optimization methodology is utilized. • Improved network designs are obtained with different heat load distributions. • Structural changes and reductions in the number of heat exchangers are produced. - Abstract: Heat exchanger network synthesis methodologies frequently identify good network structures, which nevertheless, might be accompanied by suboptimal values of design variables. The objective of this work is to develop a nonlinear programming (NLP) model and an optimization approach that aim at identifying the best values for intermediate temperatures, sub-stream flow rate fractions, heat loads and areas for a given heat exchanger network topology. The NLP model that minimizes the total annual cost of the network is constructed based on a stage-wise grid diagram representation. To improve the possibilities of obtaining global optimal designs, a two-phase stochastic multi-start optimization algorithm is utilized for the solution of the developed model. The effectiveness of the proposed optimization approach is illustrated with the optimization of two network designs proposed in the literature for two well-known benchmark problems. Results show that from the addressed base network topologies it is possible to achieve improved network designs, with redistributions in exchanger heat loads that lead to reductions in total annual costs. The results also show that the optimization of a given network design sometimes leads to structural simplifications and reductions in the total number of heat exchangers of the network, thereby exposing alternative viable network topologies initially not anticipated.

Electrically tunable spin polarization in silicene: A multi-terminal spin density matrix approach

International Nuclear Information System (INIS)

Chen, Son-Hsien

2016-01-01

Recent realized silicene field-effect transistor yields promising electronic applications. Using a multi-terminal spin density matrix approach, this paper presents an analysis of the spin polarizations in a silicene structure of the spin field-effect transistor by considering the intertwined intrinsic and Rashba spin–orbit couplings, gate voltage, Zeeman splitting, as well as disorder. Coexistence of the stagger potential and intrinsic spin–orbit coupling results in spin precession, making any in-plane polarization directions reachable by the gate voltage; specifically, the intrinsic coupling allows one to electrically adjust the in-plane components of the polarizations, while the Rashba coupling to adjust the out-of-plan polarizations. Larger electrically tunable ranges of in-plan polarizations are found in oppositely gated silicene than in the uniformly gated silicene. Polarizations in different phases behave distinguishably in weak disorder regime, while independent of the phases, stronger disorder leads to a saturation value. - Highlights: • Density matrix with spin rotations enables multi-terminal arbitrary spin injections. • Gate-voltage tunable in-plane polarizations require intrinsic SO coupling. • Gate-voltage tunable out-of-plane polarizations require Rashba SO coupling. • Oppositely gated silicene yields a large tunable range of in-plan polarizations. • Polarizations in different phases behave distinguishably only in weak disorder.

Large, dynamic, multi-protein complexes: a challenge for structural biology

Czech Academy of Sciences Publication Activity Database

Rozycki, B.; Bouřa, Evžen

2014-01-01

Roč. 26, č. 46 (2014), 463103/1-463103/11 ISSN 0953-8984 R&D Projects: GA MŠk LO1302 EU Projects: European Commission(XE) 333916 - STARPI4K Institutional support: RVO:61388963 Keywords : protein structure * multi-protein complexes * hybrid methods of structural biology Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.346, year: 2014

Generating multi-double-scroll attractors via nonautonomous approach

Energy Technology Data Exchange (ETDEWEB)

Hong, Qinghui; Xie, Qingguo, E-mail: qgxie@mail.hust.edu.cn [Wuhan National Laboratory for Optoelectronics, Wuhan 430074 (China); Shen, Yi; Wang, Xiaoping [School of Automation, Huazhong University of Science and Technology, Wuhan 430074 (China)

2016-08-15

It is a common phenomenon that multi-scroll attractors are realized by introducing the various nonlinear functions with multiple breakpoints in double scroll chaotic systems. Differently, we present a nonautonomous approach for generating multi-double-scroll attractors (MDSA) without changing the original nonlinear functions. By using the multi-level-logic pulse excitation technique in double scroll chaotic systems, MDSA can be generated. A Chua's circuit, a Jerk circuit, and a modified Lorenz system are given as designed example and the Matlab simulation results are presented. Furthermore, the corresponding realization circuits are designed. The Pspice results are in agreement with numerical simulation results, which verify the availability and feasibility of this method.

Fabrication and Optimization of Bilayered Nanoporous Anodic Alumina Structures as Multi-Point Interferometric Sensing Platform

Science.gov (United States)

Nemati, Mahdieh; Santos, Abel

2018-01-01

Herein, we present an innovative strategy for optimizing hierarchical structures of nanoporous anodic alumina (NAA) to advance their optical sensing performance toward multi-analyte biosensing. This approach is based on the fabrication of multilayered NAA and the formation of differential effective medium of their structure by controlling three fabrication parameters (i.e., anodization steps, anodization time, and pore widening time). The rationale of the proposed concept is that interferometric bilayered NAA (BL-NAA), which features two layers of different pore diameters, can provide distinct reflectometric interference spectroscopy (RIfS) signatures for each layer within the NAA structure and can therefore potentially be used for multi-point biosensing. This paper presents the structural fabrication of layered NAA structures, and the optimization and evaluation of their RIfS optical sensing performance through changes in the effective optical thickness (EOT) using quercetin as a model molecule. The bilayered or funnel-like NAA structures were designed with the aim of characterizing the sensitivity of both layers of quercetin molecules using RIfS and exploring the potential of these photonic structures, featuring different pore diameters, for simultaneous size-exclusion and multi-analyte optical biosensing. The sensing performance of the prepared NAA platforms was examined by real-time screening of binding reactions between human serum albumin (HSA)-modified NAA (i.e., sensing element) and quercetin (i.e., analyte). BL-NAAs display a complex optical interference spectrum, which can be resolved by fast Fourier transform (FFT) to monitor the EOT changes, where three distinctive peaks were revealed corresponding to the top, bottom, and total layer within the BL-NAA structures. The spectral shifts of these three characteristic peaks were used as sensing signals to monitor the binding events in each NAA pore in real-time upon exposure to different concentrations of

Spectroscopic Signatures and Structural Motifs of Dopamine: a Computational Study

Science.gov (United States)

Srivastava, Santosh Kumar; Singh, Vipin Bahadur

2016-06-01

Dopamine (DA) is an essential neurotransmitter in the central nervous system and it plays integral role in numerous brain functions including behaviour, cognition, emotion, working memory and associated learning. In the present work the conformational landscapes of neutral and protonated dopamine have been investigated in the gas phase and in aqueous solution by MP2 and DFT (M06-2X, ωB97X-D, B3LYP and B3LYP-D3) methods. Twenty lowest energy structures of neutral DA were subjected to geometry optimization and the gauche conformer, GIa, was found to be the lowest gas phase structure at the each level of theory in agreement with the experimental rotational spectroscopy. All folded gauche conformers (GI) where lone electron pair of the NH2 group is directed towards the π system of the aromatic ring ( 'non up' ) are found more stable in the gas phase. While in aqueous solution, all those gauche conformers (GII) where lone electron pair of the NH2 group is directed opposite from the π system of the aromatic ring ('up' structures) are stabilized significantly.Nine lowest energy structures, protonated at the amino group, are optimized at the same MP2/aug-cc-pVDZ level of theory. In the most stable gauche structures, g-1 and g+1, mainly electrostatic cation - π interaction is further stabilized by significant dispersion forces as predicted by the substantial differences between the DFT and dispersion corrected DFT-D3 calculations. In aqueous environment the intra-molecular cation- π distance in g-1 and g+1 isomers, slightly increases compared to the gas phase and the magnitude of the cation- π interaction is reduced relative to the gas phase, because solvation of the cation decreases its interaction energy with the π face of aromatic system. The IR intensity of the bound N-H+ stretching mode provides characteristic 'IR spectroscopic signatures' which can reflect the strength of cation- π interaction energy. The CC2 lowest lying S1 ( 1ππ* ) excited state of neutral

FT-IR spectroscopic studies of protein secondary structures for breast cancer diagnosis

International Nuclear Information System (INIS)

Karamancheva, I; Simonova, D.; Milev, A.

2013-01-01

Full text: Roughly 14 million new cancer cases and 8 million cancer deaths have occurred worldwide in 2012. At least 30 % of all cancer cases and 40 % of the cancer deaths should be avoided by improving the early detection. Fourier transform infrared (FT-IR) spectroscopy has shown many advantages as a tool for the detection of cancer over the traditional methods such as histopathological analysis, X-ray transmission, ultrasonic and computer tomography techniques. With the aim to establish the FT-IR spectroscopy as an alternative method for the diagnosis of human cancers, we have made several studies to examine in details the spectroscopic properties of normal and carcinomatous tissues. Human breast tissues were obtained immediately after surgical breast resection with the informed patient's consent. In our studies we made extensive use of Fourier self-deconvolution, second-order derivatization, difference spectra, curve-fitting procedures and quantitative determinations according to Beer's law. Cancer is a multi-step process. Characteristic differences in both the frequencies and the intensity ratios of several bands have been revealed. Considerable differences have been found in the spectral patterns. The most important and informative region in the mid-IR for determination of protein secondary structure is the amide I and amide II region. The bands between 1730 and 1600 cm -1 are highly sensitive to conformational changes. Considerable changes were observed in the A1735/A1652 absorbance ratio, which provides a measure for the content of a- helix and P-sheet domains. Our investigations have shown that the major biomarker peaks are in the amide I and amide II regions. In the so called 'fingerprint region' many molecular constituents such as lipids, phospholipids, proteins, DNA and RNA, carbohydrates and metabolites may overlap and the quantitative interpretation is impossible. The spectrum may therefore reflect only the average biochemical composition.; key words

Coupled multi-physics simulation frameworks for reactor simulation: A bottom-up approach

International Nuclear Information System (INIS)

Tautges, Timothy J.; Caceres, Alvaro; Jain, Rajeev; Kim, Hong-Jun; Kraftcheck, Jason A.; Smith, Brandon M.

2011-01-01

A 'bottom-up' approach to multi-physics frameworks is described, where first common interfaces to simulation data are developed, then existing physics modules are adapted to communicate through those interfaces. Physics modules read and write data through those common interfaces, which also provide access to common simulation services like parallel IO, mesh partitioning, etc.. Multi-physics codes are assembled as a combination of physics modules, services, interface implementations, and driver code which coordinates calling these various pieces. Examples of various physics modules and services connected to this framework are given. (author)

Raman spectroscopic approach to monitor the in vitro cyclization of creatine → creatinine

Science.gov (United States)

Gangopadhyay, Debraj; Sharma, Poornima; Singh, Sachin Kumar; Singh, Pushkar; Tarcea, Nicolae; Deckert, Volker; Popp, Jürgen; Singh, Ranjan K.

2015-01-01

The creatine → creatinine cyclization, an important metabolic phenomenon has been initiated in vitro at acidic pH and studied through Raman spectroscopic and DFT approach. The equilibrium composition of neutral, zwitterionic and protonated microspecies of creatine has been monitored with time as the reaction proceeds. Time series Raman spectra show clear signature of creatinine formation at pH 3 after ∼240 min at room temperature and reaction is faster at higher temperature. The spectra at pH 1 and pH 5 do not show such signature up to 270 min implying faster reaction rate at pH 3.

Mapping tropical biodiversity using spectroscopic imagery : characterization of structural and chemical diversity with 3-D radiative transfer modeling

Science.gov (United States)

Feret, J. B.; Gastellu-Etchegorry, J. P.; Lefèvre-Fonollosa, M. J.; Proisy, C.; Asner, G. P.

2014-12-01

The accelerating loss of biodiversity is a major environmental trend. Tropical ecosystems are particularly threatened due to climate change, invasive species, farming and natural resources exploitation. Recent advances in remote sensing of biodiversity confirmed the potential of high spatial resolution spectroscopic imagery for species identification and biodiversity mapping. Such information bridges the scale-gap between small-scale, highly detailed field studies and large-scale, low-resolution satellite observations. In order to produce fine-scale resolution maps of canopy alpha-diversity and beta-diversity of the Peruvian Amazonian forest, we designed, applied and validated a method based on spectral variation hypothesis to CAO AToMS (Carnegie Airborne Observatory Airborne Taxonomic Mapping System) images, acquired from 2011 to 2013. There is a need to understand on a quantitative basis the physical processes leading to this spectral variability. This spectral variability mainly depends on canopy chemistry, structure, and sensor's characteristics. 3D radiative transfer modeling provides a powerful framework for the study of the relative influence of each of these factors in dense and complex canopies. We simulated series of spectroscopic images with the 3D radiative model DART, with variability gradients in terms of leaf chemistry, individual tree structure, spatial and spectral resolution, and applied methods for biodiversity mapping. This sensitivity study allowed us to determine the relative influence of these factors on the radiometric signal acquired by different types of sensors. Such study is particularly important to define the domain of validity of our approach, to refine requirements for the instrumental specifications, and to help preparing hyperspectral spatial missions to be launched at the horizon 2015-2025 (EnMAP, PRISMA, HISUI, SHALOM, HYSPIRI, HYPXIM). Simulations in preparation include topographic variations in order to estimate the robustness

Multi-subject Manifold Alignment of Functional Network Structures via Joint Diagonalization.

Science.gov (United States)

Nenning, Karl-Heinz; Kollndorfer, Kathrin; Schöpf, Veronika; Prayer, Daniela; Langs, Georg

2015-01-01

Functional magnetic resonance imaging group studies rely on the ability to establish correspondence across individuals. This enables location specific comparison of functional brain characteristics. Registration is often based on morphology and does not take variability of functional localization into account. This can lead to a loss of specificity, or confounds when studying diseases. In this paper we propose multi-subject functional registration by manifold alignment via coupled joint diagonalization. The functional network structure of each subject is encoded in a diffusion map, where functional relationships are decoupled from spatial position. Two-step manifold alignment estimates initial correspondences between functionally equivalent regions. Then, coupled joint diagonalization establishes common eigenbases across all individuals, and refines the functional correspondences. We evaluate our approach on fMRI data acquired during a language paradigm. Experiments demonstrate the benefits in matching accuracy achieved by coupled joint diagonalization compared to previously proposed functional alignment approaches, or alignment based on structural correspondences.

A multi-modal approach to assessing recovery in youth athletes following concussion.

Science.gov (United States)

Reed, Nick; Murphy, James; Dick, Talia; Mah, Katie; Paniccia, Melissa; Verweel, Lee; Dobney, Danielle; Keightley, Michelle

2014-09-25

Concussion is one of the most commonly reported injuries amongst children and youth involved in sport participation. Following a concussion, youth can experience a range of short and long term neurobehavioral symptoms (somatic, cognitive and emotional/behavioral) that can have a significant impact on one's participation in daily activities and pursuits of interest (e.g., school, sports, work, family/social life, etc.). Despite this, there remains a paucity in clinically driven research aimed specifically at exploring concussion within the youth sport population, and more specifically, multi-modal approaches to measuring recovery. This article provides an overview of a novel and multi-modal approach to measuring recovery amongst youth athletes following concussion. The presented approach involves the use of both pre-injury/baseline testing and post-injury/follow-up testing to assess performance across a wide variety of domains (post-concussion symptoms, cognition, balance, strength, agility/motor skills and resting state heart rate variability). The goal of this research is to gain a more objective and accurate understanding of recovery following concussion in youth athletes (ages 10-18 years). Findings from this research can help to inform the development and use of improved approaches to concussion management and rehabilitation specific to the youth sport community.

A New Multi-Agent Approach to Adaptive E-Education

Science.gov (United States)

Chen, Jing; Cheng, Peng

Improving customer satisfaction degree is important in e-Education. This paper describes a new approach to adaptive e-Education taking into account the full spectrum of Web service techniques and activities. It presents a multi-agents architecture based on artificial psychology techniques, which makes the e-Education process both adaptable and dynamic, and hence up-to-date. Knowledge base techniques are used to support the e-Education process, and artificial psychology techniques to deal with user psychology, which makes the e-Education system more effective and satisfying.

A multi-scale, multi-disciplinary approach for assessing the technological, economic and environmental performance of bio-based chemicals.

Science.gov (United States)

Herrgård, Markus; Sukumara, Sumesh; Campodonico, Miguel; Zhuang, Kai

2015-12-01

In recent years, bio-based chemicals have gained interest as a renewable alternative to petrochemicals. However, there is a significant need to assess the technological, biological, economic and environmental feasibility of bio-based chemicals, particularly during the early research phase. Recently, the Multi-scale framework for Sustainable Industrial Chemicals (MuSIC) was introduced to address this issue by integrating modelling approaches at different scales ranging from cellular to ecological scales. This framework can be further extended by incorporating modelling of the petrochemical value chain and the de novo prediction of metabolic pathways connecting existing host metabolism to desirable chemical products. This multi-scale, multi-disciplinary framework for quantitative assessment of bio-based chemicals will play a vital role in supporting engineering, strategy and policy decisions as we progress towards a sustainable chemical industry. © 2015 Authors; published by Portland Press Limited.

Nonplanar property study of antifungal agent tolnaftate-spectroscopic approach

Science.gov (United States)

Arul Dhas, D.; Hubert Joe, I.; Roy, S. D. D.; Balachandran, S.

2011-09-01

Vibrational analysis of the thionocarbamate fungicide tolnaftate which is antidermatophytic, antitrichophytic and antimycotic agent, primarily inhibits the ergosterol biosynthesis in the fungus, was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features, harmonic vibrational wavenumbers and torsional potential energy surface (PES) scan studies have been computed using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bonding orbital (NBO) analysis and optimized molecular structure show the clear evidence for electronic interaction of thionocarbamate group with aromatic ring. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Vibrational analysis reveals that the simultaneous IR and Raman activation of the C-C stretching mode in the phenyl and naphthalene ring provide evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity as a fungicide.

Obtaining the Electron Angular Momentum Coupling Spectroscopic Terms, jj

Science.gov (United States)

Orofino, Hugo; Faria, Roberto B.

2010-01-01

A systematic procedure is developed to obtain the electron angular momentum coupling (jj) spectroscopic terms, which is based on building microstates in which each individual electron is placed in a different m[subscript j] "orbital". This approach is similar to that used to obtain the spectroscopic terms under the Russell-Saunders (LS) coupling…

Ferroelectric tunnel junctions with multi-quantum well structures

Energy Technology Data Exchange (ETDEWEB)

Ma, Zhijun; Zhang, Tianjin, E-mail: zhangtj@hubu.edu.cn [Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials, Hubei University, Wuhan 430062 (China); Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Hubei University, Wuhan 430062 (China); Liang, Kun; Qi, Yajun; Wang, Duofa; Wang, Jinzhao; Jiang, Juan [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Hubei University, Wuhan 430062 (China)

2014-06-02

Ferroelectric tunnel junctions (FTJs) with multi-quantum well structures are proposed and the tunneling electroresistance (TER) effect is investigated theoretically. Compared with conventional FTJs with monolayer ferroelectric barriers, FTJs with single-well structures provide TER ratio improvements of one order of magnitude, while FTJs with optimized multi-well structures can enhance this improvement by another order of magnitude. It is believed that the increased resonant tunneling strength combined with appropriate asymmetry in these FTJs contributes to the improvement. These studies may help to fabricate FTJs with large TER ratio experimentally and put them into practice.

Some experiences with absorption, phonon Raman, and luminescence spectroscopic probes of crystal structure of f-element compounds

International Nuclear Information System (INIS)

Peterson, J.R.

1992-01-01

Structural information is crucial to the study and understanding of the basic chemical properties of the f elements. X-ray diffraction (XRD) techniques are usually used to obtain crystal structure information. However, the transuranium (5f) elements, because of their radioactivity and limited availability, present problems for standard XRD analysis. For some time now we have been developing and using various spectroscopic probes of crystal structure; an overview of our research in this area is presented here

A multi-solver quasi-Newton method for the partitioned simulation of fluid-structure interaction

International Nuclear Information System (INIS)

Degroote, J; Annerel, S; Vierendeels, J

2010-01-01

In partitioned fluid-structure interaction simulations, the flow equations and the structural equations are solved separately. Consequently, the stresses and displacements on both sides of the fluid-structure interface are not automatically in equilibrium. Coupling techniques like Aitken relaxation and the Interface Block Quasi-Newton method with approximate Jacobians from Least-Squares models (IBQN-LS) enforce this equilibrium, even with black-box solvers. However, all existing coupling techniques use only one flow solver and one structural solver. To benefit from the large number of multi-core processors in modern clusters, a new Multi-Solver Interface Block Quasi-Newton (MS-IBQN-LS) algorithm has been developed. This algorithm uses more than one flow solver and structural solver, each running in parallel on a number of cores. One-dimensional and three-dimensional numerical experiments demonstrate that the run time of a simulation decreases as the number of solvers increases, albeit at a slower pace. Hence, the presented multi-solver algorithm accelerates fluid-structure interaction calculations by increasing the number of solvers, especially when the run time does not decrease further if more cores are used per solver.

R Package multiPIM: A Causal Inference Approach to Variable Importance Analysis

Directory of Open Access Journals (Sweden)

Stephan J Ritter

2014-04-01

Full Text Available We describe the R package multiPIM, including statistical background, functionality and user options. The package is for variable importance analysis, and is meant primarily for analyzing data from exploratory epidemiological studies, though it could certainly be applied in other areas as well. The approach taken to variable importance comes from the causal inference field, and is different from approaches taken in other R packages. By default, multiPIM uses a double robust targeted maximum likelihood estimator (TMLE of a parameter akin to the attributable risk. Several regression methods/machine learning algorithms are available for estimating the nuisance parameters of the models, including super learner, a meta-learner which combines several different algorithms into one. We describe a simulation in which the double robust TMLE is compared to the graphical computation estimator. We also provide example analyses using two data sets which are included with the package.

A Shell Multi-dimensional Hierarchical Cubing Approach for High-Dimensional Cube

Science.gov (United States)

Zou, Shuzhi; Zhao, Li; Hu, Kongfa

The pre-computation of data cubes is critical for improving the response time of OLAP systems and accelerating data mining tasks in large data warehouses. However, as the sizes of data warehouses grow, the time it takes to perform this pre-computation becomes a significant performance bottleneck. In a high dimensional data warehouse, it might not be practical to build all these cuboids and their indices. In this paper, we propose a shell multi-dimensional hierarchical cubing algorithm, based on an extension of the previous minimal cubing approach. This method partitions the high dimensional data cube into low multi-dimensional hierarchical cube. Experimental results show that the proposed method is significantly more efficient than other existing cubing methods.

Probing superconductors. Spectroscopic-imaging scanning tunneling microscopy

International Nuclear Information System (INIS)

Hanaguri, Tetsuo

2011-01-01

Discovery of high-temperature superconductivity in a cuprate triggered developments of various spectroscopic tools which have been utilized to elucidate electronic states of this mysterious compound. Particularly, angle-resolved photoemission spectroscopy and scanning-tunneling microscopy/spectroscopy are improved considerably. It is now possible to map the superconducting gap in both momentum and real spaces using these two techniques. Here we review spectroscopic-imaging scanning tunneling microscopy which is able to explore momentum-space phase structure of the superconducting gap, as well as real-space structure. Applications of this technique to a cuprate and an iron-based superconductor are discussed. (author)

Multi-objective approach in thermoenvironomic optimization of a benchmark cogeneration system

International Nuclear Information System (INIS)

Sayyaadi, Hoseyn

2009-01-01

Multi-objective optimization for designing of a benchmark cogeneration system known as CGAM cogeneration system has been performed. In optimization approach, the exergetic, economic and environmental aspects have been considered, simultaneously. The thermodynamic modeling has been implemented comprehensively while economic analysis conducted in accordance with the total revenue requirement (TRR) method. The results for the single objective thermoeconomic optimization have been compared with the previous studies in optimization of CGAM problem. In multi-objective optimization of the CGAM problem, the three objective functions including the exergetic efficiency, total levelized cost rate of the system product and the cost rate of environmental impact have been considered. The environmental impact objective function has been defined and expressed in cost terms. This objective has been integrated with the thermoeconomic objective to form a new unique objective function known as a thermoenvironomic objective function. The thermoenvironomic objective has been minimized while the exergetic objective has been maximized. One of the most suitable optimization techniques developed using a particular class of search algorithms known as multi-objective evolutionary algorithms (MOEAs) has been considered here. This approach which is developed based on the genetic algorithm has been applied to find the set of Pareto optimal solutions with respect to the aforementioned objective functions. An example of decision-making has been presented and a final optimal solution has been introduced. The sensitivity of the solutions to the interest rate and the fuel cost has been studied

A Study on Elastic Guided Wave Modal Characteristics in Multi-Layered Structures

International Nuclear Information System (INIS)

Cho, Youn Ho; Lee, Chong Myoung

2008-01-01

In this study, we have developed a program which can calculate phase and group velocities, attenuation and wave structures of each mode in multi-layered plates. The wave structures of each mode are obtained, varying material properties and number of layers. The key in the success of guided wave NDE is how to optimize the mode selection scheme by minimizing energy loss when a structure is in contact with liquid. In this study, the normalized out-of-plane displacements at the surface of a free plate are used to predict the variation of modal attenuation and verily the correlation between attenuation and wave structure. It turns out that the guided wave attenuation can be efficiently obtain from the out-of-plane displacement variation of a free wave guide alleviating such mathematical difficulties in extracting complex roots for the eigenvalue problem of a liquid loaded wave guide. Through this study, the concert to optimize guided wave mode selection is accomplished to enhance sensitivity and efficiency in nondestructive evaluation for multi-layered structures.

Development of a multi-epitope peptide vaccine inducing robust T cell responses against brucellosis using immunoinformatics based approaches.

Science.gov (United States)

Saadi, Mahdiye; Karkhah, Ahmad; Nouri, Hamid Reza

2017-07-01

Current investigations have demonstrated that a multi-epitope peptide vaccine targeting multiple antigens could be considered as an ideal approach for prevention and treatment of brucellosis. According to the latest findings, the most effective immunogenic antigens of brucella to induce immune responses are included Omp31, BP26, BLS, DnaK and L7-L12. Therefore, in the present study, an in silico approach was used to design a novel multi-epitope vaccine to elicit a desirable immune response against brucellosis. First, five novel T-cell epitopes were selected from Omp31, BP26, BLS, DnaK and L7-L12 proteins using different servers. In addition, helper epitopes selected from Tetanus toxin fragment C (TTFrC) were applied to induce CD4+ helper T lymphocytes (HTLs) responses. Selected epitopes were fused together by GPGPG linkers to facilitate the immune processing and epitope presentation. Moreover, cholera toxin B (CTB) was linked to N terminal of vaccine construct as an adjuvant by using EAAAK linker. A multi-epitope vaccine was designed based on predicted epitopes which was 377 amino acid residues in length. Then, the physico-chemical properties, secondary and tertiary structures, stability, intrinsic protein disorder, solubility and allergenicity of this multi-epitope vaccine were assessed using immunoinformatics tools and servers. Based on obtained results, a soluble, and non-allergic protein with 40.59kDa molecular weight was constructed. Expasy ProtParam classified this chimeric protein as a stable protein and also 89.8% residues of constructed vaccine were located in favored regions of the Ramachandran plot. Furthermore, this multi-epitope peptide vaccine was able to strongly induce T cell and B-cell mediated immune responses. In conclusion, immunoinformatics analysis indicated that this multi-epitope peptide vaccine can be effectively expressed and potentially be used for prophylactic or therapeutic usages against brucellosis. Copyright © 2017 Elsevier B.V. All

Surface-sensitive conductivity measurement using a micro multi-point probe approach

DEFF Research Database (Denmark)

Perkins, Edward; Barreto, Lucas; Wells, Justin

2013-01-01

An instrument for microscale electrical transport measurements in ultra-high vacuum is presented. The setup is constructed around collinear lithographically-created multi-point probes with a contact spacing down to 500 nm. Most commonly, twelve-point probes are used. These probes are approached...... measurements with an equidistant four-point probe for a wide range of contact spacings. In this way, it is possible to distinguish between bulk-like and surface-like conduction. The paper describes the design of the instrument and the approach to data and error analysis. Application examples are given...

A Data-Based Approach to Discovering Multi-Topic Influential Leaders.

Directory of Open Access Journals (Sweden)

Xing Tang

Full Text Available Recently, increasing numbers of users have adopted microblogging services as their main information source. However, most of them find themselves drowning in the millions of posts produced by other users every day. To cope with this, identifying a set of the most influential people is paramount. Moreover, finding a set of related influential users to expand the coverage of one particular topic is required in real world scenarios. Most of the existing algorithms in this area focus on topology-related methods such as PageRank. These methods mine link structures to find the expected influential rank of users. However, because they ignore the interaction data, these methods turn out to be less effective in social networks. In reality, a variety of topics exist within the information diffusing through the network. Because they have different interests, users play different roles in the diffusion of information related to different topics. As a result, distinguishing influential leaders according to different topics is also worthy of research. In this paper, we propose a multi-topic influence diffusion model (MTID based on traces acquired from historic information. We decompose the influential scores of users into two parts: the direct influence determined by information propagation along the link structure and indirect influence that extends beyond the restrictions of direct follower relationships. To model the network from a multi-topical viewpoint, we introduce topic pools, each of which represents a particular topic information source. Then, we extract the topic distributions from the traces of tweets, determining the influence propagation probability and content generation probability. In the network, we adopt multiple ground nodes representing topic pools to connect every user through bidirectional links. Based on this multi-topical view of the network, we further introduce the topic-dependent rank (TD-Rank algorithm to identify the multi

A Data-Based Approach to Discovering Multi-Topic Influential Leaders.

Science.gov (United States)

Tang, Xing; Miao, Qiguang; Yu, Shangshang; Quan, Yining

2016-01-01

Recently, increasing numbers of users have adopted microblogging services as their main information source. However, most of them find themselves drowning in the millions of posts produced by other users every day. To cope with this, identifying a set of the most influential people is paramount. Moreover, finding a set of related influential users to expand the coverage of one particular topic is required in real world scenarios. Most of the existing algorithms in this area focus on topology-related methods such as PageRank. These methods mine link structures to find the expected influential rank of users. However, because they ignore the interaction data, these methods turn out to be less effective in social networks. In reality, a variety of topics exist within the information diffusing through the network. Because they have different interests, users play different roles in the diffusion of information related to different topics. As a result, distinguishing influential leaders according to different topics is also worthy of research. In this paper, we propose a multi-topic influence diffusion model (MTID) based on traces acquired from historic information. We decompose the influential scores of users into two parts: the direct influence determined by information propagation along the link structure and indirect influence that extends beyond the restrictions of direct follower relationships. To model the network from a multi-topical viewpoint, we introduce topic pools, each of which represents a particular topic information source. Then, we extract the topic distributions from the traces of tweets, determining the influence propagation probability and content generation probability. In the network, we adopt multiple ground nodes representing topic pools to connect every user through bidirectional links. Based on this multi-topical view of the network, we further introduce the topic-dependent rank (TD-Rank) algorithm to identify the multi-topic influential users

A Spatially Constrained Multi-autoencoder Approach for Multivariate Geochemical Anomaly Recognition

Science.gov (United States)

Lirong, C.; Qingfeng, G.; Renguang, Z.; Yihui, X.

2017-12-01

Separating and recognizing geochemical anomalies from the geochemical background is one of the key tasks in geochemical exploration. Many methods have been developed, such as calculating the mean ±2 standard deviation, and fractal/multifractal models. In recent years, deep autoencoder, a deep learning approach, have been used for multivariate geochemical anomaly recognition. While being able to deal with the non-normal distributions of geochemical concentrations and the non-linear relationships among them, this self-supervised learning method does not take into account the spatial heterogeneity of geochemical background and the uncertainty induced by the randomly initialized weights of neurons, leading to ineffective recognition of weak anomalies. In this paper, we introduce a spatially constrained multi-autoencoder (SCMA) approach for multivariate geochemical anomaly recognition, which includes two steps: spatial partitioning and anomaly score computation. The first step divides the study area into multiple sub-regions to segregate the geochemical background, by grouping the geochemical samples through K-means clustering, spatial filtering, and spatial constraining rules. In the second step, for each sub-region, a group of autoencoder neural networks are constructed with an identical structure but different initial weights on neurons. Each autoencoder is trained using the geochemical samples within the corresponding sub-region to learn the sub-regional geochemical background. The best autoencoder of a group is chosen as the final model for the corresponding sub-region. The anomaly score at each location can then be calculated as the euclidean distance between the observed concentrations and reconstructed concentrations of geochemical elements.The experiments using the geochemical data and Fe deposits in the southwestern Fujian province of China showed that our SCMA approach greatly improved the recognition of weak anomalies, achieving the AUC of 0.89, compared

National Risk Assessment in The Netherlands : A Multi-Criteria Decision Analysis Approach

NARCIS (Netherlands)

Pruyt, E.; Wijnmalen, D.J.D.

2010-01-01

Nowadays, National Safety and Security issues receive much attention in many countries. In 2007, the Dutch government approved a National Safety and Security Strategy based on a multi-criteria analysis approach to classify potential threats and hazards. The general methodology of this Dutch National

A multi-resolution HEALPix data structure for spherically mapped point data

Directory of Open Access Journals (Sweden)

Robert W. Youngren

2017-06-01

Full Text Available Data describing entities with locations that are points on a sphere are described as spherically mapped. Several data structures designed for spherically mapped data have been developed. One of them, known as Hierarchical Equal Area iso-Latitude Pixelization (HEALPix, partitions the sphere into twelve diamond-shaped equal-area base cells and then recursively subdivides each cell into four diamond-shaped subcells, continuing to the desired level of resolution. Twelve quadtrees, one associated with each base cell, store the data records associated with that cell and its subcells.HEALPix has been used successfully for numerous applications, notably including cosmic microwave background data analysis. However, for applications involving sparse point data HEALPix has possible drawbacks, including inefficient memory utilization, overwriting of proximate points, and return of spurious points for certain queries.A multi-resolution variant of HEALPix specifically optimized for sparse point data was developed. The new data structure allows different areas of the sphere to be subdivided at different levels of resolution. It combines HEALPix positive features with the advantages of multi-resolution, including reduced memory requirements and improved query performance.An implementation of the new Multi-Resolution HEALPix (MRH data structure was tested using spherically mapped data from four different scientific applications (warhead fragmentation trajectories, weather station locations, galaxy locations, and synthetic locations. Four types of range queries were applied to each data structure for each dataset. Compared to HEALPix, MRH used two to four orders of magnitude less memory for the same data, and on average its queries executed 72% faster. Keywords: Computer science

NMR-MPar: A Fault-Tolerance Approach for Multi-Core and Many-Core Processors

Directory of Open Access Journals (Sweden)

Vanessa Vargas

2018-03-01

Full Text Available Multi-core and many-core processors are a promising solution to achieve high performance by maintaining a lower power consumption. However, the degree of miniaturization makes them more sensitive to soft-errors. To improve the system reliability, this work proposes a fault-tolerance approach based on redundancy and partitioning principles called N-Modular Redundancy and M-Partitions (NMR-MPar. By combining both principles, this approach allows multi-/many-core processors to perform critical functions in mixed-criticality systems. Benefiting from the capabilities of these devices, NMR-MPar creates different partitions that perform independent functions. For critical functions, it is proposed that N partitions with the same configuration participate of an N-modular redundancy system. In order to validate the approach, a case study is implemented on the KALRAY Multi-Purpose Processing Array (MPPA-256 many-core processor running two parallel benchmark applications. The traveling salesman problem and matrix multiplication applications were selected to test different device’s resources. The effectiveness of NMR-MPar is assessed by software-implemented fault-injection. For evaluation purposes, it is considered that the system is intended to be used in avionics. Results show the improvement of the application reliability by two orders of magnitude when implementing NMR-MPar on the system. Finally, this work opens the possibility to use massive parallelism for dependable applications in embedded systems.

A Multi-Temporal Remote Sensing Approach to Freshwater Turtle Conservation

Science.gov (United States)

Mui, Amy B.

Freshwater turtles are a globally declining taxa, and estimates of population status are not available for many species. Primary causes of decline stem from widespread habitat loss and degradation, and obtaining spatially-explicit information on remaining habitat across a relevant spatial scale has proven challenging. The discipline of remote sensing science has been employed widely in studies of biodiversity conservation, but it has not been utilized as frequently for cryptic, and less vagile species such as turtles, despite their vulnerable status. The work presented in this thesis investigates how multi-temporal remote sensing imagery can contribute key information for building spatially-explicit and temporally dynamic models of habitat and connectivity for the threatened, Blanding's turtle (Emydoidea blandingii) in southern Ontario, Canada. I began with outlining a methodological approach for delineating freshwater wetlands from high spatial resolution remote sensing imagery, using a geographic object-based image analysis (GEOBIA) approach. This method was applied to three different landscapes in southern Ontario, and across two biologically relevant seasons during the active (non-hibernating) period of Blanding's turtles. Next, relevant environmental variables associated with turtle presence were extracted from remote sensing imagery, and a boosted regression tree model was developed to predict the probability of occurrence of this species. Finally, I analysed the movement potential for Blanding's turtles in a disturbed landscape using a combination of approaches. Results indicate that (1) a parsimonious GEOBIA approach to land cover mapping, incorporating texture, spectral indices, and topographic information can map heterogeneous land cover with high accuracy, (2) remote-sensing derived environmental variables can be used to build habitat models with strong predictive power, and (3) connectivity potential is best estimated using a variety of approaches

A multi-structural and multi-functional integrated fog collection system in cactus.

Science.gov (United States)

Ju, Jie; Bai, Hao; Zheng, Yongmei; Zhao, Tianyi; Fang, Ruochen; Jiang, Lei

2012-01-01

Multiple biological structures have demonstrated fog collection abilities, such as beetle backs with bumps and spider silks with periodic spindle-knots and joints. Many Cactaceae species live in arid environments and are extremely drought-tolerant. Here we report that one of the survival systems of the cactus Opuntia microdasys lies in its efficient fog collection system. This unique system is composed of well-distributed clusters of conical spines and trichomes on the cactus stem; each spine contains three integrated parts that have different roles in the fog collection process according to their surface structural features. The gradient of the Laplace pressure, the gradient of the surface-free energy and multi-function integration endow the cactus with an efficient fog collection system. Investigations of the structure-function relationship in this system may help us to design novel materials and devices to collect water from fog with high efficiencies.

Characterization of μc-Si:H/a-Si:H tandem solar cell structures by spectroscopic ellipsometry

International Nuclear Information System (INIS)

Murata, Daisuke; Yuguchi, Tetsuya; Fujiwara, Hiroyuki

2014-01-01

In order to perform the structural characterization of Si thin-film solar cells having submicron-size rough textured surfaces, we have developed an optical model that can be utilized for the spectroscopic ellipsometry (SE) analysis of a multilayer solar cell structure consisting of hydrogenated amorphous silicon (a-Si:H) and microcrystalline silicon (μc-Si:H) layers fabricated on textured SnO 2 :F substrates. To represent the structural non-uniformity in the textured structure, the optical response has been calculated from two regions with different thicknesses of the Si layers. Moreover, in the optical model, the interface layers are modeled by multilayer structures assuming two-phase composites and the volume fractions of the phases in the layers are controlled by the structural curvature factor. The polarized reflection from the μc-Si:H layer that shows extensive surface roughening during the growth has also been modeled. In this study, a state-of-the-art solar cell structure with the textured μc-Si:H (2000 nm)/ZnO (100 nm)/a-Si:H (200 nm)/SnO 2 :F/glass substrate structure has been characterized. The μc-Si:H/a-Si:H textured structure deduced from our SE analysis shows remarkable agreement with that observed by transmission electron microscopy. From the above results, we have demonstrated the high-precision characterization of highly-textured μc-Si:H/a-Si:H solar cell structures. - Highlights: • Characterization of textured μc-Si:H/a-Si:H solar cell structures by ellipsometry • A new optical model using surface area and multilayer models • High precision characterization of submicron-range rough interface structures

Infrared Spectroscopic Study For Structural Investigation Of Lithium Lead Silicate Glasses

International Nuclear Information System (INIS)

Ahlawat, Navneet; Aghamkar, Praveen; Ahlawat, Neetu; Agarwal, Ashish; Monica

2011-01-01

Lithium lead silicate glasses with composition 30Li 2 O·(70-x)PbO·xSiO 2 (where, x = 10, 20, 30, 40, 50 mol %)(LPS glasses) were prepared by normal melt quench technique at 1373 K for half an hour in air to understand their structure. Compositional dependence of density, molar volume and glass transition temperature of these glasses indicates more compactness of the glass structure with increasing SiO 2 content. Fourier transform infrared (FTIR) spectroscopic data obtained for these glasses was used to investigate the changes induced in the local structure of samples as the ratio between PbO and SiO 2 content changes from 6.0 to 0.4. The observed absorption band around 450-510 cm -1 in IR spectra of these glasses indicates the presence of network forming PbO 4 tetrahedral units in glass structure. The increase in intensity with increasing SiO 2 content (upto x = 30 mol %) suggests superposition of Pb-O and Si-O bond vibrations in absorption band around 450-510 cm -1 . The values of optical basicity in these glasses were found to be dependent directly on PbO/SiO 2 ratio.

Assessment of Material Solutions of Multi-level Garage Structure Within Integrated Life Cycle Design Process

Science.gov (United States)

Wałach, Daniel; Sagan, Joanna; Gicala, Magdalena

2017-10-01

The paper presents an environmental and economic analysis of the material solutions of multi-level garage. The construction project approach considered reinforced concrete structure under conditions of use of ordinary concrete and high-performance concrete (HPC). Using of HPC allowed to significant reduction of reinforcement steel, mainly in compression elements (columns) in the construction of the object. The analysis includes elements of the methodology of integrated lice cycle design (ILCD). By making multi-criteria analysis based on established weight of the economic and environmental parameters, three solutions have been evaluated and compared within phase of material production (information modules A1-A3).

Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

Science.gov (United States)

Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Rodrigues, Vítor Hugo Nunes; Ahmad, Shabbir

2018-03-01

The present work is focused on the crystal structure, vibrational spectroscopy and DFT calculations of hydrogen bonded 2,3-pyrazinedicorboxylic acid and 2-amino-4-hydroxy-6-methylpyrimidine (PDCA-.AHMP+) crystal. The crystal structure has been determined using single crystal X-ray diffraction analysis which shows that the crystal belongs to monoclinic space group P21/n. The PDCA-.AHMP+ crystal has been characterized by FTIR, FT-Raman and FT-NMR spectroscopic techniques. The FTIR and FT-Raman spectra of the complex have unique spectroscopic feature as compared with those of the starting material to confirm salt formation. The theoretical vibrational studies have been performed to understand the modes of the vibrations of asymmetric unit of the complex by DFT methods. Hirschfeld surface and 2D fingerprint plots analyses were carried out to investigate the intermolecular interactions and its contribution in the building of PDCA-.AHMP+ crystal. The experimental and simulated 13C and 1H NMR studies have assisted in structural analysis of PDCA-.AHMP+ crystal. The electronic spectroscopic properties of the complex were explored by the experimental as well as theoretical electronic spectra simulated using TD-DFT/IEF-PCM method at B3LYP/6-311++G (d,p) level of theory. In addition, frontier molecular orbitals, molecular electrostatic potential map (MEP) and nonlinear optical (NLO) properties using DFT method have been also presented.

ON THE SPECTROSCOPIC CLASSES OF NOVAE IN M33

International Nuclear Information System (INIS)

Shafter, A. W.; Darnley, M. J.; Bode, M. F.; Ciardullo, R.

2012-01-01

We report the initial results from an ongoing multi-year spectroscopic survey of novae in M33. The survey resulted in the spectroscopic classification of six novae (M33N 2006-09a, 2007-09a, 2009-01a, 2010-10a, 2010-11a, and 2011-12a) and a determination of rates of decline (t 2 times) for four of them (2006-09a, 2007-09a, 2009-01a, and 2010-10a). When these data are combined with existing spectroscopic data for two additional M33 novae (2003-09a and 2008-02a), we find that five of the eight novae with available spectroscopic class appear to be members of either the He/N or Fe IIb (hybrid) classes, with only two clear members of the Fe II spectroscopic class. This initial finding is very different from what would be expected based on the results for M31 and the Galaxy where Fe II novae dominate, and the He/N and Fe IIb classes together make up only ∼20% of the total. It is plausible that the increased fraction of He/N and Fe IIb novae observed in M33 thus far may be the result of the younger stellar population that dominates this galaxy, which is expected to produce novae that harbor generally more massive white dwarfs than those typically associated with novae in M31 or the Milky Way.

A stochastic approach to multi-gene expression dynamics

International Nuclear Information System (INIS)

Ochiai, T.; Nacher, J.C.; Akutsu, T.

2005-01-01

In the last years, tens of thousands gene expression profiles for cells of several organisms have been monitored. Gene expression is a complex transcriptional process where mRNA molecules are translated into proteins, which control most of the cell functions. In this process, the correlation among genes is crucial to determine the specific functions of genes. Here, we propose a novel multi-dimensional stochastic approach to deal with the gene correlation phenomena. Interestingly, our stochastic framework suggests that the study of the gene correlation requires only one theoretical assumption-Markov property-and the experimental transition probability, which characterizes the gene correlation system. Finally, a gene expression experiment is proposed for future applications of the model

Chemical mapping of pharmaceutical cocrystals using terahertz spectroscopic imaging.

Science.gov (United States)

Charron, Danielle M; Ajito, Katsuhiro; Kim, Jae-Young; Ueno, Yuko

2013-02-19

Terahertz (THz) spectroscopic imaging is a promising technique for distinguishing pharmaceuticals of similar molecular composition but differing crystal structures. Physicochemical properties, for instance bioavailability, are manipulated by altering a drug's crystal structure through methods such as cocrystallization. Cocrystals are molecular complexes having crystal structures different from those of their pure components. A technique for identifying the two-dimensional distribution of these alternate forms is required. Here we present the first demonstration of THz spectroscopic imaging of cocrystals. THz spectra of caffeine-oxalic acid cocrystal measured at low temperature exhibit sharp peaks, enabling us to visualize the cocrystal distribution in nonuniform tablets. The cocrystal distribution was clearly identified using THz spectroscopic data, and the cocrystal concentration was calculated with 0.3-1.3% w/w error from the known total concentration. From this result, THz spectroscopy allows quantitative chemical mapping of cocrystals and offers researchers and drug developers a new analytical tool.

Action detection by double hierarchical multi-structure space-time statistical matching model

Science.gov (United States)

Han, Jing; Zhu, Junwei; Cui, Yiyin; Bai, Lianfa; Yue, Jiang

2018-03-01

Aimed at the complex information in videos and low detection efficiency, an actions detection model based on neighboring Gaussian structure and 3D LARK features is put forward. We exploit a double hierarchical multi-structure space-time statistical matching model (DMSM) in temporal action localization. First, a neighboring Gaussian structure is presented to describe the multi-scale structural relationship. Then, a space-time statistical matching method is proposed to achieve two similarity matrices on both large and small scales, which combines double hierarchical structural constraints in model by both the neighboring Gaussian structure and the 3D LARK local structure. Finally, the double hierarchical similarity is fused and analyzed to detect actions. Besides, the multi-scale composite template extends the model application into multi-view. Experimental results of DMSM on the complex visual tracker benchmark data sets and THUMOS 2014 data sets show the promising performance. Compared with other state-of-the-art algorithm, DMSM achieves superior performances.

A Multi-scale, Multi-disciplinary Approach for Assessing the Technological, Economic, and Environmental Performance of Bio-based Chemicals

DEFF Research Database (Denmark)

Herrgard, Markus; Sukumara, Sumesh; Campodonico Alt, Miguel Angel

2015-01-01

, the Multi-scale framework for Sustainable Industrial Chemicals (MuSIC) was introduced to address this issue by integrating modelling approaches at different scales ranging from cellular to ecological scales. This framework can be further extended by incorporating modelling of the petrochemical value chain...... towards a sustainable chemical industry....

DisoMCS: Accurately Predicting Protein Intrinsically Disordered Regions Using a Multi-Class Conservative Score Approach.

Directory of Open Access Journals (Sweden)

Zhiheng Wang

Full Text Available The precise prediction of protein intrinsically disordered regions, which play a crucial role in biological procedures, is a necessary prerequisite to further the understanding of the principles and mechanisms of protein function. Here, we propose a novel predictor, DisoMCS, which is a more accurate predictor of protein intrinsically disordered regions. The DisoMCS bases on an original multi-class conservative score (MCS obtained by sequence-order/disorder alignment. Initially, near-disorder regions are defined on fragments located at both the terminus of an ordered region connecting a disordered region. Then the multi-class conservative score is generated by sequence alignment against a known structure database and represented as order, near-disorder and disorder conservative scores. The MCS of each amino acid has three elements: order, near-disorder and disorder profiles. Finally, the MCS is exploited as features to identify disordered regions in sequences. DisoMCS utilizes a non-redundant data set as the training set, MCS and predicted secondary structure as features, and a conditional random field as the classification algorithm. In predicted near-disorder regions a residue is determined as an order or a disorder according to the optimized decision threshold. DisoMCS was evaluated by cross-validation, large-scale prediction, independent tests and CASP (Critical Assessment of Techniques for Protein Structure Prediction tests. All results confirmed that DisoMCS was very competitive in terms of accuracy of prediction when compared with well-established publicly available disordered region predictors. It also indicated our approach was more accurate when a query has higher homologous with the knowledge database.The DisoMCS is available at http://cal.tongji.edu.cn/disorder/.

Structural and magnetic properties of multi-core nanoparticles analysed using a generalised numerical inversion method

Science.gov (United States)

Bender, P.; Bogart, L. K.; Posth, O.; Szczerba, W.; Rogers, S. E.; Castro, A.; Nilsson, L.; Zeng, L. J.; Sugunan, A.; Sommertune, J.; Fornara, A.; González-Alonso, D.; Barquín, L. Fernández; Johansson, C.

2017-01-01

The structural and magnetic properties of magnetic multi-core particles were determined by numerical inversion of small angle scattering and isothermal magnetisation data. The investigated particles consist of iron oxide nanoparticle cores (9 nm) embedded in poly(styrene) spheres (160 nm). A thorough physical characterisation of the particles included transmission electron microscopy, X-ray diffraction and asymmetrical flow field-flow fractionation. Their structure was ultimately disclosed by an indirect Fourier transform of static light scattering, small angle X-ray scattering and small angle neutron scattering data of the colloidal dispersion. The extracted pair distance distribution functions clearly indicated that the cores were mostly accumulated in the outer surface layers of the poly(styrene) spheres. To investigate the magnetic properties, the isothermal magnetisation curves of the multi-core particles (immobilised and dispersed in water) were analysed. The study stands out by applying the same numerical approach to extract the apparent moment distributions of the particles as for the indirect Fourier transform. It could be shown that the main peak of the apparent moment distributions correlated to the expected intrinsic moment distribution of the cores. Additional peaks were observed which signaled deviations of the isothermal magnetisation behavior from the non-interacting case, indicating weak dipolar interactions. PMID:28397851

Intercell scheduling: A negotiation approach using multi-agent coalitions

Science.gov (United States)

Tian, Yunna; Li, Dongni; Zheng, Dan; Jia, Yunde

2016-10-01

Intercell scheduling problems arise as a result of intercell transfers in cellular manufacturing systems. Flexible intercell routes are considered in this article, and a coalition-based scheduling (CBS) approach using distributed multi-agent negotiation is developed. Taking advantage of the extended vision of the coalition agents, the global optimization is improved and the communication cost is reduced. The objective of the addressed problem is to minimize mean tardiness. Computational results show that, compared with the widely used combinatorial rules, CBS provides better performance not only in minimizing the objective, i.e. mean tardiness, but also in minimizing auxiliary measures such as maximum completion time, mean flow time and the ratio of tardy parts. Moreover, CBS is better than the existing intercell scheduling approach for the same problem with respect to the solution quality and computational costs.

A multi-criteria inference approach for anti-desertification management.

Science.gov (United States)

Tervonen, Tommi; Sepehr, Adel; Kadziński, Miłosz

2015-10-01

We propose an approach for classifying land zones into categories indicating their resilience against desertification. Environmental management support is provided by a multi-criteria inference method that derives a set of value functions compatible with the given classification examples, and applies them to define, for the rest of the zones, their possible classes. In addition, a representative value function is inferred to explain the relative importance of the criteria to the stakeholders. We use the approach for classifying 28 administrative regions of the Khorasan Razavi province in Iran into three equilibrium classes: collapsed, transition, and sustainable zones. The model is parameterized with enhanced vegetation index measurements from 2005 to 2012, and 7 other natural and anthropogenic indicators for the status of the region in 2012. Results indicate that grazing density and land use changes are the main anthropogenic factors affecting desertification in Khorasan Razavi. The inference procedure suggests that the classification model is underdetermined in terms of attributes, but the approach itself is promising for supporting the management of anti-desertification efforts. Copyright © 2015 Elsevier Ltd. All rights reserved.

A multi-attribute approach to the rationalization of radiation protection options

International Nuclear Information System (INIS)

Lombard, J.; Oudiz, A.

1979-01-01

Application of the ALARA principle requires the use of quantitative methods such as cost-benefit, cost-effectiveness, multi-attribute and other analyses. An example is presented of the application of a multi-attribute analysis in connection with the determination of ALARA levels for the light-water fuel cycle. Thirty-nine processing options for waste from different fuel cycle facilities have been identified. These are categorized on the basis of cost, of performance in terms of reduction of collective and individual detriment and, finally, of a subjective index of data reliability. Multi-attribute analysis can be used for classifying options on the basis of these four criteria. In particular, a method known as ''total outclassing analysis'' can be used for initial classification of options independently of the ''implicit value of human life''. The value of total outclassing analysis lies in the fact that it can be used for a classification of options which takes collective and individual detriment simultaneously into account. It thus represents a satisfactory synthesis of the individual approach (critical groups) and the collective approach. A finer classification can be obtained by carrying out a non-total outclassing analysis (ELECTRE method). At this stage the weighting of criteria becomes a necessity. The results, however, are fairly insensitive to modification of the ''implicit value of human life''. Generally, the study shows traditional radiation protection options to be justified, especially where the trapping of iodine in reactors is concerned, and stresses the value of retaining noble gases in reprocessing plants

Integrative Data Analysis of Multi-Platform Cancer Data with a Multimodal Deep Learning Approach.

Science.gov (United States)

Liang, Muxuan; Li, Zhizhong; Chen, Ting; Zeng, Jianyang

2015-01-01

Identification of cancer subtypes plays an important role in revealing useful insights into disease pathogenesis and advancing personalized therapy. The recent development of high-throughput sequencing technologies has enabled the rapid collection of multi-platform genomic data (e.g., gene expression, miRNA expression, and DNA methylation) for the same set of tumor samples. Although numerous integrative clustering approaches have been developed to analyze cancer data, few of them are particularly designed to exploit both deep intrinsic statistical properties of each input modality and complex cross-modality correlations among multi-platform input data. In this paper, we propose a new machine learning model, called multimodal deep belief network (DBN), to cluster cancer patients from multi-platform observation data. In our integrative clustering framework, relationships among inherent features of each single modality are first encoded into multiple layers of hidden variables, and then a joint latent model is employed to fuse common features derived from multiple input modalities. A practical learning algorithm, called contrastive divergence (CD), is applied to infer the parameters of our multimodal DBN model in an unsupervised manner. Tests on two available cancer datasets show that our integrative data analysis approach can effectively extract a unified representation of latent features to capture both intra- and cross-modality correlations, and identify meaningful disease subtypes from multi-platform cancer data. In addition, our approach can identify key genes and miRNAs that may play distinct roles in the pathogenesis of different cancer subtypes. Among those key miRNAs, we found that the expression level of miR-29a is highly correlated with survival time in ovarian cancer patients. These results indicate that our multimodal DBN based data analysis approach may have practical applications in cancer pathogenesis studies and provide useful guidelines for

Lens-Aided Multi-Angle Spectroscopy (LAMAS) Reveals Small-Scale Outflow Structure in Quasars

Science.gov (United States)

Green, Paul J.

2006-06-01

Spectral differences between lensed quasar image components are common. Since lensing is intrinsically achromatic, these differences are typically explained as the effect of either microlensing, or as light path time delays sampling intrinsic quasar spectral variability. Here we advance a novel third hypothesis: some spectral differences are due to small line-of-sight differences through quasar disk wind outflows. In particular, we propose that variable spectral differences seen only in component A of the widest separation lens SDSS J1004+4112 are due to differential absorption along the sight lines. The absorber properties required by this hypothesis are akin to known broad absorption line (BAL) outflows but must have a broader, smoother velocity profile. We interpret the observed C IV emission-line variability as further evidence for spatial fine structure transverse to the line of sight. Since outflows are likely to be rotating, such absorber fine structure can consistently explain some of the UV and X-ray variability seen in AGNs. The implications are many: (1) Spectroscopic differences in other lensed objects may be due to this ``lens-aided multi-angle spectroscopy'' (LAMAS). (2) Outflows have fine structure on size scales of arcseconds, as seen from the nucleus. (3) Assuming either broad absorption line region sizes proposed in recent wind models, or typically assumed continuum emission region sizes, LAMAS and/or variability provide broadly consistent absorber size scale estimates of ~1015 cm. (4) Very broad smooth absorption may be ubiquitous in quasar spectra, even when no obvious troughs are seen.

A multi-disciplinary approach for the integrated assessment of multiple risks in delta areas.

Science.gov (United States)

Sperotto, Anna; Torresan, Silvia; Critto, Andrea; Marcomini, Antonio

2016-04-01

The assessment of climate change related risks is notoriously difficult due to the complex and uncertain combinations of hazardous events that might happen, the multiplicity of physical processes involved, the continuous changes and interactions of environmental and socio-economic systems. One important challenge lies in predicting and modelling cascades of natural and man -made hazard events which can be triggered by climate change, encompassing different spatial and temporal scales. Another regard the potentially difficult integration of environmental, social and economic disciplines in the multi-risk concept. Finally, the effective interaction between scientists and stakeholders is essential to ensure that multi-risk knowledge is translated into efficient adaptation and management strategies. The assessment is even more complex at the scale of deltaic systems which are particularly vulnerable to global environmental changes, due to the fragile equilibrium between the presence of valuable natural ecosystems and relevant economic activities. Improving our capacity to assess the combined effects of multiple hazards (e.g. sea-level rise, storm surges, reduction in sediment load, local subsidence, saltwater intrusion) is therefore essential to identify timely opportunities for adaptation. A holistic multi-risk approach is here proposed to integrate terminology, metrics and methodologies from different research fields (i.e. environmental, social and economic sciences) thus creating shared knowledge areas to advance multi risk assessment and management in delta regions. A first testing of the approach, including the application of Bayesian network analysis for the assessment of impacts of climate change on key natural systems (e.g. wetlands, protected areas, beaches) and socio-economic activities (e.g. agriculture, tourism), is applied in the Po river delta in Northern Italy. The approach is based on a bottom-up process involving local stakeholders early in different

Binding of Bisphenol-F, a bisphenol analogue, to calf thymus DNA by multi-spectroscopic and molecular docking studies.

Science.gov (United States)

Usman, Afia; Ahmad, Masood

2017-08-01

BPF (Bisphenol-F), a member of the bisphenol family, having a wide range of industrial applications is gradually replacing Bisphenol-A. It is a recognized endocrine disrupting chemical (EDC). EDCs have been implicated in increased incidences of breast, prostate and testis cancers besides diabetes, obesity and decreased fertility. Due to the adverse effects of EDCs on human health, attempts have been directed towards their mechanism of toxicity especially at the molecular level. Hence, to understand the mechanism at the DNA level, interaction of BPF with calf thymus DNA was studied employing multi-spectroscopic, voltammetric and molecular docking techniques. Fluorescence spectra, cyclic voltammetry (CV), circular dichroism (CD) and molecular docking studies of BPF with DNA were suggestive of minor groove binding of BPF. UV-visible absorption and fluorescence spectra suggested static quenching due to complex formation between BPF and ctDNA. Hoechst 33258 (HO) and ethidium bromide (EB) displacement studies further confirmed such mode of BPF interaction. Thermodynamic and molecular docking parameters revealed the mechanism of binding of BPF with ctDNA to be favorable and spontaneous due to negative ΔG and occurring through hydrogen bonds and van der waals interactions. BPF induced DNA cleavage under in vitro conditions by plasmid nicking assay suggested it to be genotoxic. Copyright © 2017 Elsevier Ltd. All rights reserved.

Interactions between β-carboline alkaloids and bovine serum albumin: Investigation by spectroscopic approach

International Nuclear Information System (INIS)

Nafisi, Shohreh; Panahyab, Ataollah; Bagheri Sadeghi, Golshan

2012-01-01

β-Carboline alkaloids are present in medicinal plants such as Peganum harmala L. that have been used as folk medicine in anticancer therapy. BSA is the major soluble protein constituent of the circulatory system, and has many physiological functions including the transport of a variety of compounds. This study is the first attempt to investigate the binding of β-carboline alkaloids to BSA by using a constant protein concentration and varying drug concentrations at pH 7.2. FTIR and UV–Vis spectroscopic methods were used to analyze the binding modes of β-carboline alkaloids, the binding constants and the effects of drug complexation on BSA stability and conformation. Spectroscopic evidence showed that β-carboline alkaloids bind BSA via hydrophobic interaction and van der Waals contacts along with H-bonding with the –NH groups, with overall binding constants of K harmine–BSA =2.04×10 4 M −1 , K tryptoline–BSA =1.2×10 4 M −1 , K harmaline–BSA =5.04×10 3 M −1 , K harmane–BSA =1.41×10 3 M −1 and K harmalol–BSA =1.01×10 3 M −1 , assuming that there is one drug molecule per protein. The BSA secondary structure was altered with a major decrease of α-helix from 64% (free protein) to 59% (BSA–harmane), 56% (BSA–harmaline and BSA–harmine), 55% (BSA–tryptoline), 54% (BSA–harmalol) and β-sheet from 15% (free protein) to 6–8% upon β-carboline alkaloids complexation, inducing a partial protein destabilization. - Highlights: ► We model the binding of β-carboline alkaloids to BSA by using the spectroscopic methods. ► We investigate the effects of drug complexation on BSA stability and conformation. ► A partial protein destabilization occurred at high alkaloids concentration. ► Alkaloids bind BSA via hydrophobic interactions and H-bonding with the ---NH groups. ► BSA can be considered as a good carrier for transportation of β-carboline alkaloids.

Raman and infrared spectroscopic studies of the structure of water (H2O, HOD, D2O) in stoichiometric crystalline hydrates and in electrolyte solutions

International Nuclear Information System (INIS)

Buanam-Om, C.

1981-01-01

The chapter of reviews presents in particular the Badger-Bauer-rule, distance and angle dependence of O-H...Y hydrogen bond and the structure of aqueous electrolyte solutions. A chapter of vibrational spectroscopic investigations of crystalline hydrates - metal perchlorate hydrates follows. Two further chapters just so investigate metal halide hydrates and some sulfate hydrates and related systems. The following chapter describes near infrared spectroscopic investigations of HOD(D 2 O) and its electrolyte solutions. The concluding chapter contains thermodynamic consequences and some properties of electrolyte solutions from vibrational spectroscopic investigations. (SPI) [de

A Simple Approach to Account for Climate Model Interdependence in Multi-Model Ensembles

Science.gov (United States)

Herger, N.; Abramowitz, G.; Angelil, O. M.; Knutti, R.; Sanderson, B.

2016-12-01

Multi-model ensembles are an indispensable tool for future climate projection and its uncertainty quantification. Ensembles containing multiple climate models generally have increased skill, consistency and reliability. Due to the lack of agreed-on alternatives, most scientists use the equally-weighted multi-model mean as they subscribe to model democracy ("one model, one vote").Different research groups are known to share sections of code, parameterizations in their model, literature, or even whole model components. Therefore, individual model runs do not represent truly independent estimates. Ignoring this dependence structure might lead to a false model consensus, wrong estimation of uncertainty and effective number of independent models.Here, we present a way to partially address this problem by selecting a subset of CMIP5 model runs so that its climatological mean minimizes the RMSE compared to a given observation product. Due to the cancelling out of errors, regional biases in the ensemble mean are reduced significantly.Using a model-as-truth experiment we demonstrate that those regional biases persist into the future and we are not fitting noise, thus providing improved observationally-constrained projections of the 21st century. The optimally selected ensemble shows significantly higher global mean surface temperature projections than the original ensemble, where all the model runs are considered. Moreover, the spread is decreased well beyond that expected from the decreased ensemble size.Several previous studies have recommended an ensemble selection approach based on performance ranking of the model runs. Here, we show that this approach can perform even worse than randomly selecting ensemble members and can thus be harmful. We suggest that accounting for interdependence in the ensemble selection process is a necessary step for robust projections for use in impact assessments, adaptation and mitigation of climate change.

Dual-acting of Hybrid Compounds - A New Dawn in the Discovery of Multi-target Drugs: Lead Generation Approaches.

Science.gov (United States)

Abdolmaleki, Azizeh; Ghasemi, Jahan B

2017-01-01

Finding high quality beginning compounds is a critical job at the start of the lead generation stage for multi-target drug discovery (MTDD). Designing hybrid compounds as selective multitarget chemical entity is a challenge, opportunity, and new idea to better act against specific multiple targets. One hybrid molecule is formed by two (or more) pharmacophore group's participation. So, these new compounds often exhibit two or more activities going about as multi-target drugs (mtdrugs) and may have superior safety or efficacy. Application of integrating a range of information and sophisticated new in silico, bioinformatics, structural biology, pharmacogenomics methods may be useful to discover/design, and synthesis of the new hybrid molecules. In this regard, many rational and screening approaches have followed by medicinal chemists for the lead generation in MTDD. Here, we review some popular lead generation approaches that have been used for designing multiple ligands (DMLs). This paper focuses on dual- acting chemical entities that incorporate a part of two drugs or bioactive compounds to compose hybrid molecules. Also, it presents some of key concepts and limitations/strengths of lead generation methods by comparing combination framework method with screening approaches. Besides, a number of examples to represent applications of hybrid molecules in the drug discovery are included. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Fabrication and Optimization of Bilayered Nanoporous Anodic Alumina Structures as Multi-Point Interferometric Sensing Platform

Directory of Open Access Journals (Sweden)

Mahdieh Nemati

2018-02-01

Full Text Available Herein, we present an innovative strategy for optimizing hierarchical structures of nanoporous anodic alumina (NAA to advance their optical sensing performance toward multi-analyte biosensing. This approach is based on the fabrication of multilayered NAA and the formation of differential effective medium of their structure by controlling three fabrication parameters (i.e., anodization steps, anodization time, and pore widening time. The rationale of the proposed concept is that interferometric bilayered NAA (BL-NAA, which features two layers of different pore diameters, can provide distinct reflectometric interference spectroscopy (RIfS signatures for each layer within the NAA structure and can therefore potentially be used for multi-point biosensing. This paper presents the structural fabrication of layered NAA structures, and the optimization and evaluation of their RIfS optical sensing performance through changes in the effective optical thickness (EOT using quercetin as a model molecule. The bilayered or funnel-like NAA structures were designed with the aim of characterizing the sensitivity of both layers of quercetin molecules using RIfS and exploring the potential of these photonic structures, featuring different pore diameters, for simultaneous size-exclusion and multi-analyte optical biosensing. The sensing performance of the prepared NAA platforms was examined by real-time screening of binding reactions between human serum albumin (HSA-modified NAA (i.e., sensing element and quercetin (i.e., analyte. BL-NAAs display a complex optical interference spectrum, which can be resolved by fast Fourier transform (FFT to monitor the EOT changes, where three distinctive peaks were revealed corresponding to the top, bottom, and total layer within the BL-NAA structures. The spectral shifts of these three characteristic peaks were used as sensing signals to monitor the binding events in each NAA pore in real-time upon exposure to different

Linking vegetation structure, function and physiology through spectroscopic remote sensing

Science.gov (United States)

Serbin, S.; Singh, A.; Couture, J. J.; Shiklomanov, A. N.; Rogers, A.; Desai, A. R.; Kruger, E. L.; Townsend, P. A.

2015-12-01

Terrestrial ecosystem process models require detailed information on ecosystem states and canopy properties to properly simulate the fluxes of carbon (C), water and energy from the land to the atmosphere and assess the vulnerability of ecosystems to perturbations. Current models fail to adequately capture the magnitude, spatial variation, and seasonality of terrestrial C uptake and storage, leading to significant uncertainties in the size and fate of the terrestrial C sink. By and large, these parameter and process uncertainties arise from inadequate spatial and temporal representation of plant traits, vegetation structure, and functioning. With increases in computational power and changes to model architecture and approaches, it is now possible for models to leverage detailed, data rich and spatially explicit descriptions of ecosystems to inform parameter distributions and trait tradeoffs. In this regard, spectroscopy and imaging spectroscopy data have been shown to be invaluable observational datasets to capture broad-scale spatial and, eventually, temporal dynamics in important vegetation properties. We illustrate the linkage of plant traits and spectral observations to supply key data constraints for model parameterization. These constraints can come either in the form of the raw spectroscopic data (reflectance, absorbtance) or physiological traits derived from spectroscopy. In this presentation we highlight our ongoing work to build ecological scaling relationships between critical vegetation characteristics and optical properties across diverse and complex canopies, including temperate broadleaf and conifer forests, Mediterranean vegetation, Arctic systems, and agriculture. We focus on work at the leaf, stand, and landscape scales, illustrating the importance of capturing the underlying variability in a range of parameters (including vertical variation within canopies) to enable more efficient scaling of traits related to functional diversity of ecosystems.

Presenting a Multi-level Superstructure Optimization Approach for Mechatronic System Design

DEFF Research Database (Denmark)

Pedersen, Henrik C.; Andersen, Torben Ole; Bech, Michael Møller

2010-01-01

Synergism and integration in the design process is what sets apart a Mechatronic System from a traditional, multidisciplinary system. However the typical design approach has been to divide the design problem into sub problems for each technology area (mechanics, electronics and control) and descr......Synergism and integration in the design process is what sets apart a Mechatronic System from a traditional, multidisciplinary system. However the typical design approach has been to divide the design problem into sub problems for each technology area (mechanics, electronics and control......) and describe the interface between the technologies, whereas the lack of well-established, systematic engineering methods to form the basic set-off in analysis and design of complete mechatronic systems has been obvious. The focus of the current paper is therefore to present an integrated design approach...... for mechatronic system design, utilizing a multi-level superstructure optimization based approach. Finally two design examples are presented and the possibilities and limitations of the approach are outlined....

A practical approach for active camera coordination based on a fusion-driven multi-agent system

Science.gov (United States)

Bustamante, Alvaro Luis; Molina, José M.; Patricio, Miguel A.

2014-04-01

In this paper, we propose a multi-agent system architecture to manage spatially distributed active (or pan-tilt-zoom) cameras. Traditional video surveillance algorithms are of no use for active cameras, and we have to look at different approaches. Such multi-sensor surveillance systems have to be designed to solve two related problems: data fusion and coordinated sensor-task management. Generally, architectures proposed for the coordinated operation of multiple cameras are based on the centralisation of management decisions at the fusion centre. However, the existence of intelligent sensors capable of decision making brings with it the possibility of conceiving alternative decentralised architectures. This problem is approached by means of a MAS, integrating data fusion as an integral part of the architecture for distributed coordination purposes. This paper presents the MAS architecture and system agents.

Solvent-free synthesis of nanosized hierarchical sodalite zeolite with a multi-hollow polycrystalline structure

KAUST Repository

Zeng, Shangjing; Wang, Runwei; Li, Ang; Huang, Weiwei; Zhang, Zongtao; Qiu, Shilun

2016-01-01

A solvent-free route is developed for preparing nanoscale sodalite zeolite with a multi-hollow structure. Furthermore, the synthesis of nanosized hollow sodalite polycrystalline aggregates with a mesoporous structure and high crystallinity

Crisis Communication and the Rhetorical Arena - A Multi-Vocal Approach

DEFF Research Database (Denmark)

Johansen, Winni; Frandsen, Finn

2005-01-01

Presentation of a new model of crisis communication called the rhetorical arena. This new model is compared to W. Benoit's theory of image restoration strategies and T. Coomb's theory of crisis communication as relationship management. The new model is based on a multi-vocal approach taking...... into account the many corporate and non corporate 'voices' which meet, compete, collaborate or negotiate during a crisis situation. The model conceives crisis communication as mediated through four parameters: context, media, genre, and text....

Fundamental spectroscopic studies of carbenes and hydrocarbon radicals

Energy Technology Data Exchange (ETDEWEB)

Gottlieb, C.A.; Thaddeus, P. [Harvard Univ., Cambridge, MA (United States)

1993-12-01

Highly reactive carbenes and carbon-chain radicals are studied at millimeter wavelengths by observing their rotational spectra. The purpose is to provide definitive spectroscopic identification, accurate spectroscopic constants in the lowest vibrational states, and reliable structures of the key intermediates in reactions leading to aromatic hydrocarbons and soot particles in combustion.

Structural and Spectroscopic Characterization of A Nanosized Sulfated TiO2 Filler and of Nanocomposite Nafion Membranes

Directory of Open Access Journals (Sweden)

Valentina Allodi

2016-03-01

Full Text Available A large number of nano-sized oxides have been studied in the literature as fillers for polymeric membranes, such as Nafion®. Superacidic sulfated oxides have been proposed and characterized. Once incorporated into polymer matrices, their beneficial effect on peculiar membrane properties has been demonstrated. The alteration of physical-chemical properties of composite membranes has roots in the intermolecular interaction between the inorganic filler surface groups and the polymer chains. In the attempt to tackle this fundamental issue, here we discuss, by a multi-technique approach, the properties of a nanosized sulfated titania material as a candidate filler for Nafion membranes. The results of a systematic study carried out by synchrotron X-ray diffraction, transmission electron microscopy, thermogravimetry, Raman and infrared spectroscopies are presented and discussed to get novel insights about the structural features, molecular properties, and morphological characteristics of sulphated TiO2 nanopowders and composite Nafion membranes containing different amount of sulfated TiO2 nanoparticles (2%, 5%, 7% w/w.

Exploring the relationships between epistemic beliefs about medicine and approaches to learning medicine: a structural equation modeling analysis.

Science.gov (United States)

Chiu, Yen-Lin; Liang, Jyh-Chong; Hou, Cheng-Yen; Tsai, Chin-Chung

2016-07-18

Students' epistemic beliefs may vary in different domains; therefore, it may be beneficial for medical educators to better understand medical students' epistemic beliefs regarding medicine. Understanding how medical students are aware of medical knowledge and how they learn medicine is a critical issue of medical education. The main purposes of this study were to investigate medical students' epistemic beliefs relating to medical knowledge, and to examine their relationships with students' approaches to learning medicine. A total of 340 undergraduate medical students from 9 medical colleges in Taiwan were surveyed with the Medical-Specific Epistemic Beliefs (MSEB) questionnaire (i.e., multi-source, uncertainty, development, justification) and the Approach to Learning Medicine (ALM) questionnaire (i.e., surface motive, surface strategy, deep motive, and deep strategy). By employing the structural equation modeling technique, the confirmatory factor analysis and path analysis were conducted to validate the questionnaires and explore the structural relations between these two constructs. It was indicated that medical students with multi-source beliefs who were suspicious of medical knowledge transmitted from authorities were less likely to possess a surface motive and deep strategies. Students with beliefs regarding uncertain medical knowledge tended to utilize flexible approaches, that is, they were inclined to possess a surface motive but adopt deep strategies. Students with beliefs relating to justifying medical knowledge were more likely to have mixed motives (both surface and deep motives) and mixed strategies (both surface and deep strategies). However, epistemic beliefs regarding development did not have significant relations with approaches to learning. Unexpectedly, it was found that medical students with sophisticated epistemic beliefs (e.g., suspecting knowledge from medical experts) did not necessarily engage in deep approaches to learning medicine

Quantifying hidden defect in multi-layered structures by using eddy current system combined with a scanner

International Nuclear Information System (INIS)

Huang Pingjie; Zhou Zekui; Wu Zhaotong

2005-01-01

The eddy current testing forward model of scanning inspection of multi-layered structures is introduced and simulation work is carried out to reveal the interaction between the scanning coil and defects with different geometric properties. A multi-frequency ECT experimental instrument combined with a scanner is established and scanning inspections are performed to detect the artificial etched flaws with different geometric parameters in the multi-layered structures. The predicted signals by the forward model are compared with the measured signals and the defects are characterized

Resonant Quasi-Optical Systems with Multi-Row Periodic Structures

DEFF Research Database (Denmark)

Oleksandr, Rybalko; Rybalko, Yu A.; Buriak, I. A.

2017-01-01

Selective properties of resonant quasi-optical systems with periodical multi-row structures in millimeter wavelength range are described. The possibility of selection fluctuations in the volume of open resonator using double-row periodic elements was shown in the experiment at 70-80 GHz. Advantages...... and possibility of control the energy characteristics of such structures are also described. The obtained experimental data is used to confirm the results of computational analysis previously described in the literature. Implementation of resonant quasi-optical systems with multi-row periodic structures...

A Mission Planning Approach for Precision Farming Systems Based on Multi-Objective Optimization

Directory of Open Access Journals (Sweden)

Zhaoyu Zhai

2018-06-01

Full Text Available As the demand for food grows continuously, intelligent agriculture has drawn much attention due to its capability of producing great quantities of food efficiently. The main purpose of intelligent agriculture is to plan agricultural missions properly and use limited resources reasonably with minor human intervention. This paper proposes a Precision Farming System (PFS as a Multi-Agent System (MAS. Components of PFS are treated as agents with different functionalities. These agents could form several coalitions to complete the complex agricultural missions cooperatively. In PFS, mission planning should consider several criteria, like expected benefit, energy consumption or equipment loss. Hence, mission planning could be treated as a Multi-objective Optimization Problem (MOP. In order to solve MOP, an improved algorithm, MP-PSOGA, is proposed, taking advantages of the Genetic Algorithms and Particle Swarm Optimization. A simulation, called precise pesticide spraying mission, is performed to verify the feasibility of the proposed approach. Simulation results illustrate that the proposed approach works properly. This approach enables the PFS to plan missions and allocate scarce resources efficiently. The theoretical analysis and simulation is a good foundation for the future study. Once the proposed approach is applied to a real scenario, it is expected to bring significant economic improvement.

Ground-Based Remote Sensing and Imaging of Volcanic Gases and Quantitative Determination of Multi-Species Emission Fluxes

Directory of Open Access Journals (Sweden)

Ulrich Platt

2018-01-01

Full Text Available The physical and chemical structure and the spatial evolution of volcanic plumes are of great interest since they influence the Earth’s atmospheric composition and the climate. Equally important is the monitoring of the abundance and emission patterns of volcanic gases, which gives insight into processes in the Earth’s interior that are difficult to access otherwise. Here, we review spectroscopic approaches (from ultra-violet to thermal infra-red to determine multi-species emissions and to quantify gas fluxes. Particular attention is given to the emerging field of plume imaging and quantitative image interpretation. Here UV SO2 cameras paved the way but several other promising techniques are under study and development. We also give a brief summary of a series of initial applications of fast imaging techniques for volcanological research.

Nuclear structure effects in multi-nucleon transfer and sequential fission reactions

International Nuclear Information System (INIS)

Biswas, D.C.

2001-01-01

The role of the nuclear structure in multi-nucleon transfer and sequential fission reactions has been discussed. The recent results on multi-nucleon transfer and transfer induced fission reaction, have brought out many interesting features in understanding the reaction mechanism and collective dynamics of heavy ion reactions. The structure of the projectile nucleus has strong influence on the transfer of multi-nucleons and/or clusters from the projectile to the target. The mechanism of multi-nucleon transfer between two heavy nuclei is a complex process which has a strong dependence on the ground state Q-value of the reaction as well as on the number of transferred nucleons

Towards a comprehensive X-ray approach for studying the photosynthetic manganese complex-XANES, K{alpha}/K{beta}/K{beta}-satellite emission lines, RIXS, and comparative computational approaches for selected model complexes

Energy Technology Data Exchange (ETDEWEB)

Zaharieva, I; Chernev, P; Risch, M; Gerencser, L; Haumann, M; Dau, H [Free University Berlin, FB Physik, Arnimallee 14, D-14195 Berlin (Germany); Berggren, G; Shevchenko, D; Anderlund, M [Dept. of Photochemistry and Molecular Science, Uppsala University, Box 523, S-751 20 Uppsala (Sweden); Weng, T C, E-mail: holger.dau@fu-berlin.d, E-mail: michael.haumann@fu-berlin.d [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble Cedex (France)

2009-11-15

Advanced X-ray spectroscopy experiments can contribute to elucidation of the mechanism of water oxidation in biological (tetra-manganese complex of Photosystem II) and artificial systems. Although the electronic structure of the catalytic metal site is of high interest, it is experimentally not easily accessible. Therefore, we and other researchers are working towards a comprehensive approach involving a combination of methods, namely (1) quantitative analysis of X-ray absorption near-edge structure (XANES) spectra collected at the K-edge and, in the long run, at the L-edge of manganese; (2) high-resolution X-ray emission spectroscopy (XES) of K{alpha} and K{beta} lines, (3) two-dimensional resonant inelastic X-ray scattering (RIXS) spectra. Collection of these spectroscopic data sets requires state-of-the-art synchrotron radiation facilities as well as experimental strategies to minimize the radiation-induced modifications of the samples. Data analysis requires the use and development of appropriate theoretical tools. Here, we present exemplary data collected for three multi-nuclear synthetic Mn complexes with the Mn ions in the oxidation states II, III, and IV, and for Mn{sup VII} of the permanganate ion. Emission spectra are calculated for the Mn{sup VII} ion using both multiple-scattering (MS) approach and time-dependent density functional theory (TDDFT).

Structural Optimization of a High-Speed Press Considering Multi-Source Uncertainties Based on a New Heterogeneous TOPSIS

Directory of Open Access Journals (Sweden)

Jin Cheng

2018-01-01

Full Text Available In order to achieve high punching precision, good operational reliability and low manufacturing cost, the structural optimization of a high-speed press in the presence of a set of available alternatives comprises a heterogeneous multiple-attribute decision-making (HMADM problem involving deviation, fixation, cost and benefit attributes that can be described in various mathematical forms due to the existence of multi-source uncertainties. Such a HMADM problem cannot be easily resolved by existing methods. To overcome this difficulty, a new heterogeneous technique for order preference by similarity to an ideal solution (HTOPSIS is proposed. A new approach to normalization of heterogeneous attributes is proposed by integrating the possibility degree method, relative preference relation and the attribute transformation technique. Expressions for determining positive and negative ideal solutions corresponding to heterogeneous attributes are also developed. Finally, alternative structural configurations are ranked according to their relative closeness coefficients, and the optimal structural configuration can be determined. The validity and effectiveness of the proposed HTOPSIS are demonstrated by a numerical example. The proposed HTOPSIS can also be applied to structural optimization of other complex equipment, because there is no prerequisite of independency among various attributes for its application.

Spectroscopic study of silicate glass structure. Application to the case of iron and magnesium

International Nuclear Information System (INIS)

Rossano, Stephanie

2008-01-01

During the last 10 years, I focused my research topics on silicate glass structure. More specifically I have been interested by two main components of natural and technological silicate glasses, Fe and Mg. Using solid state spectroscopic methods adapted to the disordered nature of glass coupled to molecular dynamics simulation and modeling or ab initio calculation, I have studied the environment of iron and magnesium and their impact on glass properties. Information on the distribution of environments in glasses have been extracted. (author)

An approach to multi-attribute utility analysis under parametric uncertainty

International Nuclear Information System (INIS)

Kelly, M.; Thorne, M.C.

2001-01-01

The techniques of cost-benefit analysis and multi-attribute analysis provide a useful basis for informing decisions in situations where a number of potentially conflicting opinions or interests need to be considered, and where there are a number of possible decisions that could be adopted. When the input data to such decision-making processes are uniquely specified, cost-benefit analysis and multi-attribute utility analysis provide unambiguous guidance on the preferred decision option. However, when the data are not uniquely specified, application and interpretation of these techniques is more complex. Herein, an approach to multi-attribute utility analysis (and hence, as a special case, cost-benefit analysis) when input data are subject to parametric uncertainty is presented. The approach is based on the use of a Monte Carlo technique, and has recently been applied to options for the remediation of former uranium mining liabilities in a number of Central and Eastern European States

A mixed integer linear programming approach for optimal DER portfolio, sizing, and placement in multi-energy microgrids

International Nuclear Information System (INIS)

Mashayekh, Salman; Stadler, Michael; Cardoso, Gonçalo; Heleno, Miguel

2017-01-01

Highlights: • This paper presents a MILP model for optimal design of multi-energy microgrids. • Our microgrid design includes optimal technology portfolio, placement, and operation. • Our model includes microgrid electrical power flow and heat transfer equations. • The case study shows advantages of our model over aggregate single-node approaches. • The case study shows the accuracy of the integrated linearized power flow model. - Abstract: Optimal microgrid design is a challenging problem, especially for multi-energy microgrids with electricity, heating, and cooling loads as well as sources, and multiple energy carriers. To address this problem, this paper presents an optimization model formulated as a mixed-integer linear program, which determines the optimal technology portfolio, the optimal technology placement, and the associated optimal dispatch, in a microgrid with multiple energy types. The developed model uses a multi-node modeling approach (as opposed to an aggregate single-node approach) that includes electrical power flow and heat flow equations, and hence, offers the ability to perform optimal siting considering physical and operational constraints of electrical and heating/cooling networks. The new model is founded on the existing optimization model DER-CAM, a state-of-the-art decision support tool for microgrid planning and design. The results of a case study that compares single-node vs. multi-node optimal design for an example microgrid show the importance of multi-node modeling. It has been shown that single-node approaches are not only incapable of optimal DER placement, but may also result in sub-optimal DER portfolio, as well as underestimation of investment costs.

Using multi-species occupancy models in structured decision making on managed lands

Science.gov (United States)

Sauer, John R.; Blank, Peter J.; Zipkin, Elise F.; Fallon, Jane E.; Fallon, Frederick W.

2013-01-01

Land managers must balance the needs of a variety of species when manipulating habitats. Structured decision making provides a systematic means of defining choices and choosing among alternative management options; implementation of a structured decision requires quantitative approaches to predicting consequences of management on the relevant species. Multi-species occupancy models provide a convenient framework for making structured decisions when the management objective is focused on a collection of species. These models use replicate survey data that are often collected on managed lands. Occupancy can be modeled for each species as a function of habitat and other environmental features, and Bayesian methods allow for estimation and prediction of collective responses of groups of species to alternative scenarios of habitat management. We provide an example of this approach using data from breeding bird surveys conducted in 2008 at the Patuxent Research Refuge in Laurel, Maryland, evaluating the effects of eliminating meadow and wetland habitats on scrub-successional and woodland-breeding bird species using summed total occupancy of species as an objective function. Removal of meadows and wetlands decreased value of an objective function based on scrub-successional species by 23.3% (95% CI: 20.3–26.5), but caused only a 2% (0.5, 3.5) increase in value of an objective function based on woodland species, documenting differential effects of elimination of meadows and wetlands on these groups of breeding birds. This approach provides a useful quantitative tool for managers interested in structured decision making.

Organizational Structure in Multi-Campus Community Junior Colleges/Districts.

Science.gov (United States)

Chang, Nai-Kwang

The administrative structures and functions of multi-campus colleges/districts of the same size as the Community College of Denver (CCD) were investigated to determine the positive and negative aspects of multi-campus colleges vs. separate independent colleges and of centralization vs. decentralization of 38 administrative functions. A survey of…

4-Ferrocenylpyridine- and 4-Ferrocenyl-3-ferrocenylmethyl-3,4-dihydropyridine-3,5-dicarbonitriles: Multi-Component Synthesis, Structures and Electrochemistry

Directory of Open Access Journals (Sweden)

Luis Ortiz-Frade

2012-08-01

Full Text Available The reactions of 2-cyano-3-ferrocenylacrylonitrile (1 with malononitrile (2 in a MeOH/H₂O or 2-PrOH/H₂O medium in the presence of Na₂CO₃ afforded 6-alkoxy-2-amino-4-ferrocenylpyridine-3,5-dicarbonitriles 3a,b (multi-component condensation and 6-alkoxy-2-amino-4-ferrocenyl-3-ferrocenylmethyl-3,4-dihydropyridine-3,5-dicarbonitriles 4a,b (multi-component cyclodimerization. Analogous reactions of 1 with 2 in an MeOH/H₂O medium in the presence of NaOH, piperidine, or morpholine gave compounds 3a, 4a and 2-amino-4-ferrocenyl-6-hydroxy-, 6-piperidino- and 6-morpholinopyridine-3,5-dicarbonitriles 3c–e, respectively. The structures of the compounds 3b, 4a and 4b were established by the spectroscopic data and X-ray diffraction analysis. The electrochemical behaviour of compounds 3b, 3d and 4b was investigated by means of cyclic voltammetry.

Application of the random vibration approach in the seismic analysis of LMFBR structures

International Nuclear Information System (INIS)

Preumont, A.

1988-01-01

The first part discusses the general topic of the spectral analysis of linear multi-degree-of-freedom structure subjected to a stationary random field. Particular attention is given to structures with non-classical damping and hereditary characteristics. The method is implemented in the computer programme RANDOM. Next, the same concepts are applied to multi-supported structures subjected to a stationary seismic excitation. The method is implemented in the computer programme SEISME. Two related problems are dealt with in the next two chapters: (i) the relation between the input of the random vibration analysis and the traditional ground motion specification for seismic analysis (the Design Response Spectra) and (ii) the application of random vibration techniques to the direct generation of floor response spectra. Finally the problem of extracting information from costly time history analyses is addressed. This study has mainly been concerned with the methodology and the development of appropriate softwares. Some qualitative conclusions have been drawn regarding the expected benefit of the approach. They have been judged promising enough to motivate a benchmark exercise. Specifically, the random vibration approach will be compared to the current approximate methods (response spectrum) and time-history analyses (considered as representative of the true response) for a set of typical structures. The hope is that some of the flaws of the current approximate methods can be removed

Meta-analysis a structural equation modeling approach

CERN Document Server

Cheung, Mike W-L

2015-01-01

Presents a novel approach to conducting meta-analysis using structural equation modeling. Structural equation modeling (SEM) and meta-analysis are two powerful statistical methods in the educational, social, behavioral, and medical sciences. They are often treated as two unrelated topics in the literature. This book presents a unified framework on analyzing meta-analytic data within the SEM framework, and illustrates how to conduct meta-analysis using the metaSEM package in the R statistical environment. Meta-Analysis: A Structural Equation Modeling Approach begins by introducing the impo

Finite element modeling of temperature load effects on the vibration of local modes in multi-cable structures

Science.gov (United States)

Treyssède, Fabien

2018-01-01

Understanding thermal effects on the vibration of local (cable-dominant) modes in multi-cable structures is a complicated task. The main difficulty lies in the modification by temperature change of cable tensions, which are then undetermined. This paper applies a finite element procedure to investigate the effects of thermal loads on the linear dynamics of prestressed self-weighted multi-cable structures. Provided that boundary conditions are carefully handled, the discretization of cables with nonlinear curved beam elements can properly represent the thermoelastic behavior of cables as well as their linearized dynamics. A three-step procedure that aims to replace applied pretension forces with displacement continuity conditions is used. Despite an increase in the computational cost related to beam rotational degrees of freedom, such an approach has several advantages. Nonlinear beam finite elements are usually available in commercial codes. The overall method follows a thermoelastic geometrically non-linear analysis and hereby includes the main sources of non-linearities in multi-cable structures. The effects of cable bending stiffness, which can be significant, are also naturally accounted for. The accuracy of the numerical approach is assessed thanks to an analytical model for the vibration of a single inclined cable under temperature change. Then, the effects of thermal loads are investigated for two cable bridges, highlighting how natural frequencies can be affected by temperature. Although counterintuitive, a reverse relative change of natural frequency may occur for certain local modes. This phenomenon can be explained by two distinct mechanisms, one related to the physics intrinsic to cables and the other related to the thermal deflection of the superstructure. Numerical results show that cables cannot be isolated from the rest of the structure and the importance of modeling the whole structure for a quantitative analysis of temperature effects on the

Uncertain and multi-objective programming models for crop planting structure optimization

Directory of Open Access Journals (Sweden)

Mo LI,Ping GUO,Liudong ZHANG,Chenglong ZHANG

2016-03-01

Full Text Available Crop planting structure optimization is a significant way to increase agricultural economic benefits and improve agricultural water management. The complexities of fluctuating stream conditions, varying economic profits, and uncertainties and errors in estimated modeling parameters, as well as the complexities among economic, social, natural resources and environmental aspects, have led to the necessity of developing optimization models for crop planting structure which consider uncertainty and multi-objectives elements. In this study, three single-objective programming models under uncertainty for crop planting structure optimization were developed, including an interval linear programming model, an inexact fuzzy chance-constrained programming (IFCCP model and an inexact fuzzy linear programming (IFLP model. Each of the three models takes grayness into account. Moreover, the IFCCP model considers fuzzy uncertainty of parameters/variables and stochastic characteristics of constraints, while the IFLP model takes into account the fuzzy uncertainty of both constraints and objective functions. To satisfy the sustainable development of crop planting structure planning, a fuzzy-optimization-theory-based fuzzy linear multi-objective programming model was developed, which is capable of reflecting both uncertainties and multi-objective. In addition, a multi-objective fractional programming model for crop structure optimization was also developed to quantitatively express the multi-objective in one optimization model with the numerator representing maximum economic benefits and the denominator representing minimum crop planting area allocation. These models better reflect actual situations, considering the uncertainties and multi-objectives of crop planting structure optimization systems. The five models developed were then applied to a real case study in Minqin County, north-west China. The advantages, the applicable conditions and the solution methods

Syntheses, spectroscopic properties and molecular structure of silver phytate complexes - IR, UV-VIS studies and DFT calculations

Science.gov (United States)

Zając, A.; Dymińska, L.; Lorenc, J.; Ptak, M.; Hanuza, J.

2018-03-01

Silver phytate IP6, IP6Ag, IP6Ag2 and IP6Ag3 complexes in the solid state have been synthesized changing the phosphate to metal mole ratio. The obtained products have been characterized by means of chemical and spectroscopic studies. Attenuated total reflection Fourier transform infrared technique and Raman microscope were used in the measurements. These results were discussed in terms of DFT (Density Functional Theory) quantum chemical calculations using the B3LYP/6-31G(d,p) approach. The molecular structures of these compounds have been proposed on the basis of group theory and geometry optimization taking into account the shape and the number of the observed bands corresponding to the stretching and bending vibrations of the phosphate group and metal-oxygen polyhedron. The role of inter- and intra-hydrogen bonds in stabilization of the structure has been discussed. It was found that three types of hydrogen bonds appear in the studied compounds: terminal, and those engaged in the inter- and intra-molecular interactions. The Fermi resonance as a result of the strong intra-molecular Osbnd H⋯O hydrogen bonds was discovered. Electron absorption spectra have been measured to characterize the electron properties of the studied complexes and their local symmetry.

Structure-Dependent Spectroscopic Properties of Yb3+-Doped Phosphosilicate Glasses Modified by SiO₂.

Science.gov (United States)

Wang, Ling; Zeng, Huidan; Yang, Bin; Ye, Feng; Chen, Jianding; Chen, Guorong; Smith, Andew T; Sun, Luyi

2017-02-28

Yb 3+ -doped phosphate glasses containing different amounts of SiO₂ were successfully synthesized by the conventional melt-quenching method. The influence mechanism of SiO₂ on the structural and spectroscopic properties was investigated systematically using the micro-Raman technique. It was worth noting that the glass with 26.7 mol % SiO₂ possessed the longest fluorescence lifetime (1.51 ms), the highest gain coefficient (1.10 ms·pm²), the maximum Stark splitting manifold of ²F 7/2 level (781 cm -1 ), and the largest scalar crystal-field N J and Yb 3+ asymmetry degree. Micro-Raman spectra revealed that introducing SiO₂ promoted the formation of P=O linkages, but broke the P=O linkages when the SiO₂ content was greater than 26.7 mol %. Based on the previous 29 Si MAS NMR experimental results, these findings further demonstrated that the formation of [SiO₆] may significantly affect the formation of P=O linkages, and thus influences the spectroscopic properties of the glass. These results indicate that phosphosilicate glasses may have potential applications as a Yb 3+ -doped gain medium for solid-state lasers and optical fiber amplifiers.

A quantum-classical simulation of a multi-surface multi-mode ...

Indian Academy of Sciences (India)

Multi surface multi mode quantum dynamics; parallelized quantum classical approach; TDDVR method. 1. ... cal simulation on molecular system is a great cha- llenge for ..... on a multiple core cluster with shared memory using. OpenMP based ...

A Comparative Study of Multi-material Data Structures for Computational Physics Applications

Energy Technology Data Exchange (ETDEWEB)

Garimella, Rao Veerabhadra [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Robey, Robert W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-01-31

The data structures used to represent the multi-material state of a computational physics application can have a drastic impact on the performance of the application. We look at efficient data structures for sparse applications where there may be many materials, but only one or few in most computational cells. We develop simple performance models for use in selecting possible data structures and programming patterns. We verify the analytic models of performance through a small test program of the representative cases.

Structure-borne low-frequency noise from multi-span bridges: A prediction method and spatial distribution

Science.gov (United States)

Song, X. D.; Wu, D. J.; Li, Q.; Botteldooren, D.

2016-04-01

Structure-borne noise from railway bridges at far-field points is an important indicator in environmental noise assessment. However, studies that predict structure-borne noise tend to model only single-span bridges, thus ignoring the sound pressure radiating from adjacent spans. To simulate the noise radiating from multi-span bridges induced by moving vehicles, the vibrations of a multi-span bridge are first obtained from a three-dimensional (3D) vehicle-track-bridge dynamic interaction simulation using the mode superposition method. A procedure based on the 2.5-dimensional (2.5D) boundary element method (BEM) is then presented to promote the efficiency of acoustical computation compared with the 3D BEM. The simulated results obtained from both the single-span and multi-span bridge models are compared with the measured results. The sound predictions calculated from the single-span model are accurate only for a minority of near-field points. In contrast, the sound pressures calculated from the multi-span bridge model match the measured results in both the time and frequency domains for all of the near-field and far-field points. The number of bridge spans required in the noise simulation is then recommended related to the distance between the track center and the field points of interest. The spatial distribution of multi-span structure-borne noise is also studied. The variation in sound pressure levels is insignificant along the length of the bridge, which validates the finding that the sound test section can be selected at an arbitrary plane perpendicular to the multi-span bridge.

Structure and thermodynamics of a mixture of patchy and spherical colloids: A multi-body association theory with complete reference fluid information

Energy Technology Data Exchange (ETDEWEB)

Bansal, Artee; Asthagiri, D.; Cox, Kenneth R.; Chapman, Walter G., E-mail: wgchap@rice.edu [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77251 (United States)

2016-08-21

A mixture of solvent particles with short-range, directional interactions and solute particles with short-range, isotropic interactions that can bond multiple times is of fundamental interest in understanding liquids and colloidal mixtures. Because of multi-body correlations, predicting the structure and thermodynamics of such systems remains a challenge. Earlier Marshall and Chapman [J. Chem. Phys. 139, 104904 (2013)] developed a theory wherein association effects due to interactions multiply the partition function for clustering of particles in a reference hard-sphere system. The multi-body effects are incorporated in the clustering process, which in their work was obtained in the absence of the bulk medium. The bulk solvent effects were then modeled approximately within a second order perturbation approach. However, their approach is inadequate at high densities and for large association strengths. Based on the idea that the clustering of solvent in a defined coordination volume around the solute is related to occupancy statistics in that defined coordination volume, we develop an approach to incorporate the complete information about hard-sphere clustering in a bulk solvent at the density of interest. The occupancy probabilities are obtained from enhanced sampling simulations but we also develop a concise parametric form to model these probabilities using the quasichemical theory of solutions. We show that incorporating the complete reference information results in an approach that can predict the bonding state and thermodynamics of the colloidal solute for a wide range of system conditions.

Modelling an industrial anaerobic granular reactor using a multi-scale approach.

Science.gov (United States)

Feldman, H; Flores-Alsina, X; Ramin, P; Kjellberg, K; Jeppsson, U; Batstone, D J; Gernaey, K V

2017-12-01

The objective of this paper is to show the results of an industrial project dealing with modelling of anaerobic digesters. A multi-scale mathematical approach is developed to describe reactor hydrodynamics, granule growth/distribution and microbial competition/inhibition for substrate/space within the biofilm. The main biochemical and physico-chemical processes in the model are based on the Anaerobic Digestion Model No 1 (ADM1) extended with the fate of phosphorus (P), sulfur (S) and ethanol (Et-OH). Wastewater dynamic conditions are reproduced and data frequency increased using the Benchmark Simulation Model No 2 (BSM2) influent generator. All models are tested using two plant data sets corresponding to different operational periods (#D1, #D2). Simulation results reveal that the proposed approach can satisfactorily describe the transformation of organics, nutrients and minerals, the production of methane, carbon dioxide and sulfide and the potential formation of precipitates within the bulk (average deviation between computer simulations and measurements for both #D1, #D2 is around 10%). Model predictions suggest a stratified structure within the granule which is the result of: 1) applied loading rates, 2) mass transfer limitations and 3) specific (bacterial) affinity for substrate. Hence, inerts (X I ) and methanogens (X ac ) are situated in the inner zone, and this fraction lowers as the radius increases favouring the presence of acidogens (X su ,X aa , X fa ) and acetogens (X c4 ,X pro ). Additional simulations show the effects on the overall process performance when operational (pH) and loading (S:COD) conditions are modified. Lastly, the effect of intra-granular precipitation on the overall organic/inorganic distribution is assessed at: 1) different times; and, 2) reactor heights. Finally, the possibilities and opportunities offered by the proposed approach for conducting engineering optimization projects are discussed. Copyright © 2017 Elsevier Ltd. All

A multi-criteria decision making approach to identify a vaccine formulation.

Science.gov (United States)

Dewé, Walthère; Durand, Christelle; Marion, Sandie; Oostvogels, Lidia; Devaster, Jeanne-Marie; Fourneau, Marc

2016-01-01

This article illustrates the use of a multi-criteria decision making approach, based on desirability functions, to identify an appropriate adjuvant composition for an influenza vaccine to be used in elderly. The proposed adjuvant system contained two main elements: monophosphoryl lipid and α-tocopherol with squalene in an oil/water emulsion. The objective was to elicit a stronger immune response while maintaining an acceptable reactogenicity and safety profile. The study design, the statistical models, the choice of the desirability functions, the computation of the overall desirability index, and the assessment of the robustness of the ranking are all detailed in this manuscript.

3D Defect Localization on Exothermic Faults within Multi-Layered Structures Using Lock-In Thermography: An Experimental and Numerical Approach.

Science.gov (United States)

Bae, Ji Yong; Lee, Kye-Sung; Hur, Hwan; Nam, Ki-Hwan; Hong, Suk-Ju; Lee, Ah-Yeong; Chang, Ki Soo; Kim, Geon-Hee; Kim, Ghiseok

2017-10-13

Micro-electronic devices are increasingly incorporating miniature multi-layered integrated architectures. However, the localization of faults in three-dimensional structure remains challenging. This study involved the experimental and numerical estimation of the depth of a thermally active heating source buried in multi-layered silicon wafer architecture by using both phase information from an infrared microscopy and finite element simulation. Infrared images were acquired and real-time processed by a lock-in method. It is well known that the lock-in method can increasingly improve detection performance by enhancing the spatial and thermal resolution of measurements. Operational principle of the lock-in method is discussed, and it is represented that phase shift of the thermal emission from a silicon wafer stacked heat source chip (SSHSC) specimen can provide good metrics for the depth of the heat source buried in SSHSCs. Depth was also estimated by analyzing the transient thermal responses using the coupled electro-thermal simulations. Furthermore, the effects of the volumetric heat source configuration mimicking the 3D through silicon via integration package were investigated. Both the infrared microscopic imaging with the lock-in method and FE simulation were potentially useful for 3D isolation of exothermic faults and their depth estimation for multi-layered structures, especially in packaged semiconductors.

A multi-structural and multi-functional integrated fog collection system in cactus

Science.gov (United States)

Ju, Jie; Bai, Hao; Zheng, Yongmei; Zhao, Tianyi; Fang, Ruochen; Jiang, Lei

2012-01-01

Multiple biological structures have demonstrated fog collection abilities, such as beetle backs with bumps and spider silks with periodic spindle-knots and joints. Many Cactaceae species live in arid environments and are extremely drought-tolerant. Here we report that one of the survival systems of the cactus Opuntia microdasys lies in its efficient fog collection system. This unique system is composed of well-distributed clusters of conical spines and trichomes on the cactus stem; each spine contains three integrated parts that have different roles in the fog collection process according to their surface structural features. The gradient of the Laplace pressure, the gradient of the surface-free energy and multi-function integration endow the cactus with an efficient fog collection system. Investigations of the structure–function relationship in this system may help us to design novel materials and devices to collect water from fog with high efficiencies. PMID:23212376

Heterogeneous Face Attribute Estimation: A Deep Multi-Task Learning Approach.

Science.gov (United States)

Han, Hu; K Jain, Anil; Shan, Shiguang; Chen, Xilin

2017-08-10

Face attribute estimation has many potential applications in video surveillance, face retrieval, and social media. While a number of methods have been proposed for face attribute estimation, most of them did not explicitly consider the attribute correlation and heterogeneity (e.g., ordinal vs. nominal and holistic vs. local) during feature representation learning. In this paper, we present a Deep Multi-Task Learning (DMTL) approach to jointly estimate multiple heterogeneous attributes from a single face image. In DMTL, we tackle attribute correlation and heterogeneity with convolutional neural networks (CNNs) consisting of shared feature learning for all the attributes, and category-specific feature learning for heterogeneous attributes. We also introduce an unconstrained face database (LFW+), an extension of public-domain LFW, with heterogeneous demographic attributes (age, gender, and race) obtained via crowdsourcing. Experimental results on benchmarks with multiple face attributes (MORPH II, LFW+, CelebA, LFWA, and FotW) show that the proposed approach has superior performance compared to state of the art. Finally, evaluations on a public-domain face database (LAP) with a single attribute show that the proposed approach has excellent generalization ability.

Realistic modelling of external flooding scenarios - A multi-disciplinary approach

International Nuclear Information System (INIS)

Brinkman, J.L.

2014-01-01

against flooding and timing of the events into account as basis for the development and screening of flooding scenarios. Realistic modelling of external flooding scenarios in a PSA requires a multi-disciplinary approach. Next to being thoroughly familiar with the design features of the plant against flooding, like its critical elevations for safety (related) equipment and the strength of buildings, additional knowledge is necessary on design of flood protection measures as dikes and dunes, their failure behaviour and modelling. The approach does not change the basic flooding scenarios - the event tree structure - itself, but impacts the initiating event of the specific flooding scenarios. (authors)

Waste management project’s alternatives: A risk-based multi-criteria assessment (RBMCA) approach

International Nuclear Information System (INIS)

Karmperis, Athanasios C.; Sotirchos, Anastasios; Aravossis, Konstantinos; Tatsiopoulos, Ilias P.

2012-01-01

Highlights: ► We examine the evaluation of a waste management project’s alternatives. ► We present a novel risk-based multi-criteria assessment (RBMCA) approach. ► In the RBMCA the evaluation criteria are based on the quantitative risk analysis of the project’s alternatives. ► Correlation between the criteria weight values and the decision makers’ risk preferences is examined. ► Preference to the multi-criteria against the one-criterion evaluation process is discussed. - Abstract: This paper examines the evaluation of a waste management project’s alternatives through a quantitative risk analysis. Cost benefit analysis is a widely used method, in which the investments are mainly assessed through the calculation of their evaluation indicators, namely benefit/cost (B/C) ratios, as well as the quantification of their financial, technical, environmental and social risks. Herein, a novel approach in the form of risk-based multi-criteria assessment (RBMCA) is introduced, which can be used by decision makers, in order to select the optimum alternative of a waste management project. Specifically, decision makers use multiple criteria, which are based on the cumulative probability distribution functions of the alternatives’ B/C ratios. The RBMCA system is used for the evaluation of a waste incineration project’s alternatives, where the correlation between the criteria weight values and the decision makers’ risk preferences is analyzed and useful conclusions are discussed.

What is at stake in multi-scale approaches

International Nuclear Information System (INIS)

Jamet, Didier

2008-01-01

Full text of publication follows: Multi-scale approaches amount to analyzing physical phenomena at small space and time scales in order to model their effects at larger scales. This approach is very general in physics and engineering; one of the best examples of success of this approach is certainly statistical physics that allows to recover classical thermodynamics and to determine the limits of application of classical thermodynamics. Getting access to small scale information aims at reducing the models' uncertainty but it has a cost: fine scale models may be more complex than larger scale models and their resolution may require the development of specific and possibly expensive methods, numerical simulation techniques and experiments. For instance, in applications related to nuclear engineering, the application of computational fluid dynamics instead of cruder models is a formidable engineering challenge because it requires resorting to high performance computing. Likewise, in two-phase flow modeling, the techniques of direct numerical simulation, where all the interfaces are tracked individually and where all turbulence scales are captured, are getting mature enough to be considered for averaged modeling purposes. However, resolving small scale problems is a necessary step but it is not sufficient in a multi-scale approach. An important modeling challenge is to determine how to treat small scale data in order to get relevant information for larger scale models. For some applications, such as single-phase turbulence or transfers in porous media, this up-scaling approach is known and is now used rather routinely. However, in two-phase flow modeling, the up-scaling approach is not as mature and specific issues must be addressed that raise fundamental questions. This will be discussed and illustrated. (author)

Towards a single European electricity market. A structured approach to regulatory mode decision-making

International Nuclear Information System (INIS)

De Jong, H.M.

2009-01-01

This study focuses on the processes through which the rules and regulations that govern European electricity markets - and inherently, their integration process - are established. So far, European policy makers have largely followed a 'trial-and-error' approach to finding an appropriate regulatory mode (process) for dealing effectively with market integration issues. This unstructured approach to regulatory mode selection leads to several problems: - Today's trial-and-error strategy of shifting from one regulatory mode to another is time-consuming. - In the regulatory mode selection process, certain key principles of good governance are insufficiently considered. - European regulatory processes are experienced as vague, intransparent, and illegitimate by 'outside' stakeholders. This study develops a 'structured approach to regulatory mode decision-making' (STARMODE) based on the theory of decision modelling in policy management and a case study exploring three key market integration issues in the field of electricity markets: interconnector investment, congestion management and market transparency. The main objective is to present a systematic and comprehensive framework for analysing and improving regulatory mode decision-making in the context of the European Union, focusing on electricity market integration. The STARMODE approach is generally applicable to (and relevant for) European market integration issues in industries characterized by a natural monopoly and/or an essential service. The approach may also contribute to national regulatory mode decision-making and multi-state decision-making in other continents.

Interactions between {beta}-carboline alkaloids and bovine serum albumin: Investigation by spectroscopic approach

Energy Technology Data Exchange (ETDEWEB)

Nafisi, Shohreh, E-mail: drshnafisi@gmail.com [Department of Chemistry, Islamic Azad University, Central Tehran Branch (IAUCTB), Tehran (Iran, Islamic Republic of); Panahyab, Ataollah [Department of Chemistry, Islamic Azad University, Central Tehran Branch (IAUCTB), Tehran (Iran, Islamic Republic of); Bagheri Sadeghi, Golshan [Department of Biology, Islamic Azad University, Science and Research Branch, Tehran (Iran, Islamic Republic of)

2012-09-15

{beta}-Carboline alkaloids are present in medicinal plants such as Peganum harmala L. that have been used as folk medicine in anticancer therapy. BSA is the major soluble protein constituent of the circulatory system, and has many physiological functions including the transport of a variety of compounds. This study is the first attempt to investigate the binding of {beta}-carboline alkaloids to BSA by using a constant protein concentration and varying drug concentrations at pH 7.2. FTIR and UV-Vis spectroscopic methods were used to analyze the binding modes of {beta}-carboline alkaloids, the binding constants and the effects of drug complexation on BSA stability and conformation. Spectroscopic evidence showed that {beta}-carboline alkaloids bind BSA via hydrophobic interaction and van der Waals contacts along with H-bonding with the -NH groups, with overall binding constants of K{sub harmine-BSA}=2.04 Multiplication-Sign 10{sup 4} M{sup -1}, K{sub tryptoline-BSA}=1.2 Multiplication-Sign 10{sup 4} M{sup -1}, K{sub harmaline-BSA}=5.04 Multiplication-Sign 10{sup 3} M{sup -1}, K{sub harmane-BSA}=1.41 Multiplication-Sign 10{sup 3} M{sup -1} and K{sub harmalol-BSA}=1.01 Multiplication-Sign 10{sup 3} M{sup -1}, assuming that there is one drug molecule per protein. The BSA secondary structure was altered with a major decrease of {alpha}-helix from 64% (free protein) to 59% (BSA-harmane), 56% (BSA-harmaline and BSA-harmine), 55% (BSA-tryptoline), 54% (BSA-harmalol) and {beta}-sheet from 15% (free protein) to 6-8% upon {beta}-carboline alkaloids complexation, inducing a partial protein destabilization. - Highlights: Black-Right-Pointing-Pointer We model the binding of {beta}-carboline alkaloids to BSA by using the spectroscopic methods. Black-Right-Pointing-Pointer We investigate the effects of drug complexation on BSA stability and conformation. Black-Right-Pointing-Pointer A partial protein destabilization occurred at high alkaloids concentration. Black

A Practice Approach of Multi-source Geospatial Data Integration for Web-based Geoinformation Services

Science.gov (United States)

Huang, W.; Jiang, J.; Zha, Z.; Zhang, H.; Wang, C.; Zhang, J.

2014-04-01

Geospatial data resources are the foundation of the construction of geo portal which is designed to provide online geoinformation services for the government, enterprise and public. It is vital to keep geospatial data fresh, accurate and comprehensive in order to satisfy the requirements of application and development of geographic location, route navigation, geo search and so on. One of the major problems we are facing is data acquisition. For us, integrating multi-sources geospatial data is the mainly means of data acquisition. This paper introduced a practice integration approach of multi-source geospatial data with different data model, structure and format, which provided the construction of National Geospatial Information Service Platform of China (NGISP) with effective technical supports. NGISP is the China's official geo portal which provides online geoinformation services based on internet, e-government network and classified network. Within the NGISP architecture, there are three kinds of nodes: national, provincial and municipal. Therefore, the geospatial data is from these nodes and the different datasets are heterogeneous. According to the results of analysis of the heterogeneous datasets, the first thing we do is to define the basic principles of data fusion, including following aspects: 1. location precision; 2.geometric representation; 3. up-to-date state; 4. attribute values; and 5. spatial relationship. Then the technical procedure is researched and the method that used to process different categories of features such as road, railway, boundary, river, settlement and building is proposed based on the principles. A case study in Jiangsu province demonstrated the applicability of the principle, procedure and method of multi-source geospatial data integration.

Spectroscopic Identification of the Carbyne Hydride Structure of the Dehydrogenation Product of Methane Activation by Osmium Cations.

Science.gov (United States)

Armentrout, P B; Kuijpers, Stach E J; Lushchikova, Olga V; Hightower, Randy L; Boles, Georgia C; Bakker, Joost M

2018-04-09

The present work explores the structures of species formed by dehydrogenation of methane (CH 4 ) and perdeuterated methane (CD 4 ) by the 5d transition metal cation osmium (Os + ). Using infrared multiple photon dissociation (IRMPD) action spectroscopy and density functional theory (DFT), the structures of the [Os,C,2H] + and [Os,C,2D] + products are explored. This study complements previous work on the related species formed by dehydrogenation of methane by four other 5d transition metal cations (M + = Ta + , W + , Ir + , and Pt + ). Osmium cations are formed in a laser ablation source, react with methane pulsed into a reaction channel downstream, and the resulting products spectroscopically characterized through photofragmentation using the Free-Electron Laser for IntraCavity Experiments (FELICE) in the 300-1800 cm -1 range. Photofragmentation was monitored by the loss of H 2 /D 2 . Comparison of the experimental spectra and DFT calculated spectra leads to identification of the ground state carbyne hydride, HOsCH + ( 2 A') as the species formed, as previously postulated theoretically. Further, a full description of the systematic spectroscopic shifts observed for deuterium labeling of these complexes, some of the smallest systems to be studied using IRMPD action spectroscopy, is achieved. A full rotational contour analysis explains the observed linewidths as well as the observation of doublet structures in several bands, consistent with previous observations for HIrCH + ( 2 A'). Graphical Abstract ᅟ.

Structure and linear spectroscopic properties of near IR polymethine dyes

International Nuclear Information System (INIS)

Webster, Scott; Padilha, Lazaro A.; Hu Honghua; Przhonska, Olga V.; Hagan, David J.; Van Stryland, Eric W.; Bondar, Mikhail V.; Davydenko, Iryna G.; Slominsky, Yuriy L.; Kachkovski, Alexei D.

2008-01-01

We performed a detailed experimental investigation and quantum-chemical analysis of a new series of near IR polymethine dyes with 5-butyl-7,8-dihydrobenzo[cd]furo[2,3-f]indolium terminal groups. We also synthesized and studied two neutral dyes, squaraine and tetraone, with the same terminal groups and performed a comparison of the spectroscopic properties of this set of 'near IR' dyes (polymethine, squaraine, and tetraone) with an analogous set of 'visible' dyes with simpler benzo[e]indolium terminal groups. From these measurements, we find that the dyes with dihydrobenzo[cd]furo[2,3-f]indolium terminal groups are characterized by a remarkably large shift ∼300 nm (∼200 nm for tetraone) of their absorption bands towards the red region. We discuss the difference in electronic structure for these molecules and show that the 'near IR' dyes are characterized by an additional weak fluorescence band from the higher lying excited states connected with the terminal groups. Absorption spectra for the longest polymethines are solvent-dependent and are characterized by a broadening of the main band in polar solvents, which is explained by ground state symmetry breaking and reduced charge delocalization within the polymethine chromophore. The results of these experiments combined with the agreement of quantum chemical calculations moves us closer to a predictive capability for structure-property relations in cyanine-like molecules

Real time spectroscopic ellipsometry investigation of homoepitaxial GaN grown by plasma assisted molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Kim, Tong-Ho; Choi, Soojeong; Wu, Pae; Brown, April [Department of Electrical and Computer Engineering, Duke University, 128 Hudson Hall, Durham, NC (United States); Losurdo, Maria; Giangregorio, Maria M.; Bruno, Giovanni [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM UdR Bari, via Orabona, 4, 70126 Bari (Italy); Moto, Akihiro [Innovation Core SEI, Inc., 3235 Kifer Road, Santa Clara, CA 95051 (United States)

2006-06-15

The growth of GaN by plasma assisted molecular beam epitaxy on GaN template substrates (GaN on sapphire) is investigated with in-situ multi-channel spectroscopic ellipsometry. Growth is performed under various Ga/N flux ratios at growth temperatures in the range 710-780 C. The thermal roughening of the GaN template caused by decomposition of the surface is investigated through the temporal variation of the GaN pseudodielectric function over the temperature range of 650 C to 850 C. The structural, morphological, and optical properties are also discussed. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)