Chaotic and stable perturbed maps: 2-cycles and spatial models

NASA Astrophysics Data System (ADS)

Braverman, E.; Haroutunian, J.

2010-06-01

As the growth rate parameter increases in the Ricker, logistic and some other maps, the models exhibit an irreversible period doubling route to chaos. If a constant positive perturbation is introduced, then the Ricker model (but not the classical logistic map) experiences period doubling reversals; the break of chaos finally gives birth to a stable two-cycle. We outline the maps which demonstrate a similar behavior and also study relevant discrete spatial models where the value in each cell at the next step is defined only by the values at the cell and its nearest neighbors. The stable 2-cycle in a scalar map does not necessarily imply 2-cyclic-type behavior in each cell for the spatial generalization of the map.

Pseudo-random bit generator based on lag time series

NASA Astrophysics Data System (ADS)

García-Martínez, M.; Campos-Cantón, E.

2014-12-01

In this paper, we present a pseudo-random bit generator (PRBG) based on two lag time series of the logistic map using positive and negative values in the bifurcation parameter. In order to hidden the map used to build the pseudo-random series we have used a delay in the generation of time series. These new series when they are mapped xn against xn+1 present a cloud of points unrelated to the logistic map. Finally, the pseudo-random sequences have been tested with the suite of NIST giving satisfactory results for use in stream ciphers.

Generalising the logistic map through the q-product

NASA Astrophysics Data System (ADS)

Pessoa, R. W. S.; Borges, E. P.

2011-03-01

We investigate a generalisation of the logistic map as xn+1 = 1 - axn otimesqmap xn (-1 <= xn <= 1, 0 < a <= 2) where otimesq stands for a generalisation of the ordinary product, known as q-product [Borges, E.P. Physica A 340, 95 (2004)]. The usual product, and consequently the usual logistic map, is recovered in the limit q → 1, The tent map is also a particular case for qmap → ∞. The generalisation of this (and others) algebraic operator has been widely used within nonextensive statistical mechanics context (see C. Tsallis, Introduction to Nonextensive Statistical Mechanics, Springer, NY, 2009). We focus the analysis for qmap > 1 at the edge of chaos, particularly at the first critical point ac, that depends on the value of qmap. Bifurcation diagrams, sensitivity to initial conditions, fractal dimension and rate of entropy growth are evaluated at ac(qmap), and connections with nonextensive statistical mechanics are explored.

Short-term cascaded hydroelectric system scheduling based on chaotic particle swarm optimization using improved logistic map

NASA Astrophysics Data System (ADS)

He, Yaoyao; Yang, Shanlin; Xu, Qifa

2013-07-01

In order to solve the model of short-term cascaded hydroelectric system scheduling, a novel chaotic particle swarm optimization (CPSO) algorithm using improved logistic map is introduced, which uses the water discharge as the decision variables combined with the death penalty function. According to the principle of maximum power generation, the proposed approach makes use of the ergodicity, symmetry and stochastic property of improved logistic chaotic map for enhancing the performance of particle swarm optimization (PSO) algorithm. The new hybrid method has been examined and tested on two test functions and a practical cascaded hydroelectric system. The experimental results show that the effectiveness and robustness of the proposed CPSO algorithm in comparison with other traditional algorithms.

Evaluation of Landslide Mapping Techniques and LiDAR-based Conditioning Factors

NASA Astrophysics Data System (ADS)

Mahalingam, R.; Olsen, M. J.

2014-12-01

Landslides are a major geohazard, which result in significant human, infrastructure, and economic losses. Landslide susceptibility mapping can help communities to plan and prepare for these damaging events. Mapping landslide susceptible locations using GIS and remote sensing techniques is gaining popularity in the past three decades. These efforts use a wide variety of procedures and consider a wide range of factors. Unfortunately, each study is often completed differently and independently of others. Further, the quality of the datasets used varies in terms of source, data collection, and generation, which can propagate errors or inconsistencies into the resulting output maps. Light detection and ranging (LiDAR) has proved to have higher accuracy in representing the continuous topographic surface, which can help minimize this uncertainty. The primary objectives of this paper are to investigate the applicability and performance of terrain factors in landslide hazard mapping, determine if LiDAR-derived datasets (slope, slope roughness, terrain roughness, stream power index and compound topographic index) can be used for predictive mapping without data representing other common landslide conditioning factors, and evaluate the differences in landslide susceptibility mapping using widely-used statistical approaches. The aforementioned factors were used to produce landslide susceptibility maps for a 140 km2 study area in northwest Oregon using six representative techniques: frequency ratio, weights of evidence, logistic regression, discriminant analysis, artificial neural network, and support vector machine. Most notably, the research showed an advantage in selecting fewer critical conditioning factors. The most reliable factors all could be derived from a single LiDAR DEM, reducing the need for laborious and costly data gathering. Most of the six techniques showed similar statistical results; however, ANN showed less accuracy for predictive mapping. Keywords : LiDAR, Landslides, Oregon, Inventory, Hazard

New geospatial approaches for efficiently mapping forest biomass logistics at high resolution over large areas

Treesearch

John Hogland; Nathaniel Anderson; Woodam Chung

2018-01-01

Adequate biomass feedstock supply is an important factor in evaluating the financial feasibility of alternative site locations for bioenergy facilities and for maintaining profitability once a facility is built. We used newly developed spatial analysis and logistics software to model the variables influencing feedstock supply and to estimate and map two components of...

Color image encryption by using Yang-Gu mixture amplitude-phase retrieval algorithm in gyrator transform domain and two-dimensional Sine logistic modulation map

NASA Astrophysics Data System (ADS)

Sui, Liansheng; Liu, Benqing; Wang, Qiang; Li, Ye; Liang, Junli

2015-12-01

A color image encryption scheme is proposed based on Yang-Gu mixture amplitude-phase retrieval algorithm and two-coupled logistic map in gyrator transform domain. First, the color plaintext image is decomposed into red, green and blue components, which are scrambled individually by three random sequences generated by using the two-dimensional Sine logistic modulation map. Second, each scrambled component is encrypted into a real-valued function with stationary white noise distribution in the iterative amplitude-phase retrieval process in the gyrator transform domain, and then three obtained functions are considered as red, green and blue channels to form the color ciphertext image. Obviously, the ciphertext image is real-valued function and more convenient for storing and transmitting. In the encryption and decryption processes, the chaotic random phase mask generated based on logistic map is employed as the phase key, which means that only the initial values are used as private key and the cryptosystem has high convenience on key management. Meanwhile, the security of the cryptosystem is enhanced greatly because of high sensitivity of the private keys. Simulation results are presented to prove the security and robustness of the proposed scheme.

A novel color image encryption scheme using alternate chaotic mapping structure

NASA Astrophysics Data System (ADS)

Wang, Xingyuan; Zhao, Yuanyuan; Zhang, Huili; Guo, Kang

2016-07-01

This paper proposes an color image encryption algorithm using alternate chaotic mapping structure. Initially, we use the R, G and B components to form a matrix. Then one-dimension logistic and two-dimension logistic mapping is used to generate a chaotic matrix, then iterate two chaotic mappings alternately to permute the matrix. For every iteration, XOR operation is adopted to encrypt plain-image matrix, then make further transformation to diffuse the matrix. At last, the encrypted color image is obtained from the confused matrix. Theoretical analysis and experimental results has proved the cryptosystem is secure and practical, and it is suitable for encrypting color images.

A Novel Color Image Encryption Algorithm Based on Quantum Chaos Sequence

NASA Astrophysics Data System (ADS)

Liu, Hui; Jin, Cong

2017-03-01

In this paper, a novel algorithm of image encryption based on quantum chaotic is proposed. The keystreams are generated by the two-dimensional logistic map as initial conditions and parameters. And then general Arnold scrambling algorithm with keys is exploited to permute the pixels of color components. In diffusion process, a novel encryption algorithm, folding algorithm, is proposed to modify the value of diffused pixels. In order to get the high randomness and complexity, the two-dimensional logistic map and quantum chaotic map are coupled with nearest-neighboring coupled-map lattices. Theoretical analyses and computer simulations confirm that the proposed algorithm has high level of security.

Collapse susceptibility mapping in karstified gypsum terrain (Sivas basin - Turkey) by conditional probability, logistic regression, artificial neural network models

NASA Astrophysics Data System (ADS)

Yilmaz, Isik; Keskin, Inan; Marschalko, Marian; Bednarik, Martin

2010-05-01

This study compares the GIS based collapse susceptibility mapping methods such as; conditional probability (CP), logistic regression (LR) and artificial neural networks (ANN) applied in gypsum rock masses in Sivas basin (Turkey). Digital Elevation Model (DEM) was first constructed using GIS software. Collapse-related factors, directly or indirectly related to the causes of collapse occurrence, such as distance from faults, slope angle and aspect, topographical elevation, distance from drainage, topographic wetness index- TWI, stream power index- SPI, Normalized Difference Vegetation Index (NDVI) by means of vegetation cover, distance from roads and settlements were used in the collapse susceptibility analyses. In the last stage of the analyses, collapse susceptibility maps were produced from CP, LR and ANN models, and they were then compared by means of their validations. Area Under Curve (AUC) values obtained from all three methodologies showed that the map obtained from ANN model looks like more accurate than the other models, and the results also showed that the artificial neural networks is a usefull tool in preparation of collapse susceptibility map and highly compatible with GIS operating features. Key words: Collapse; doline; susceptibility map; gypsum; GIS; conditional probability; logistic regression; artificial neural networks.

The reliable solution and computation time of variable parameters logistic model

NASA Astrophysics Data System (ADS)

Wang, Pengfei; Pan, Xinnong

2018-05-01

The study investigates the reliable computation time (RCT, termed as T c) by applying a double-precision computation of a variable parameters logistic map (VPLM). Firstly, by using the proposed method, we obtain the reliable solutions for the logistic map. Secondly, we construct 10,000 samples of reliable experiments from a time-dependent non-stationary parameters VPLM and then calculate the mean T c. The results indicate that, for each different initial value, the T cs of the VPLM are generally different. However, the mean T c trends to a constant value when the sample number is large enough. The maximum, minimum, and probable distribution functions of T c are also obtained, which can help us to identify the robustness of applying a nonlinear time series theory to forecasting by using the VPLM output. In addition, the T c of the fixed parameter experiments of the logistic map is obtained, and the results suggest that this T c matches the theoretical formula-predicted value.

Predictive landslide susceptibility mapping using spatial information in the Pechabun area of Thailand

NASA Astrophysics Data System (ADS)

Oh, Hyun-Joo; Lee, Saro; Chotikasathien, Wisut; Kim, Chang Hwan; Kwon, Ju Hyoung

2009-04-01

For predictive landslide susceptibility mapping, this study applied and verified probability model, the frequency ratio and statistical model, logistic regression at Pechabun, Thailand, using a geographic information system (GIS) and remote sensing. Landslide locations were identified in the study area from interpretation of aerial photographs and field surveys, and maps of the topography, geology and land cover were constructed to spatial database. The factors that influence landslide occurrence, such as slope gradient, slope aspect and curvature of topography and distance from drainage were calculated from the topographic database. Lithology and distance from fault were extracted and calculated from the geology database. Land cover was classified from Landsat TM satellite image. The frequency ratio and logistic regression coefficient were overlaid for landslide susceptibility mapping as each factor’s ratings. Then the landslide susceptibility map was verified and compared using the existing landslide location. As the verification results, the frequency ratio model showed 76.39% and logistic regression model showed 70.42% in prediction accuracy. The method can be used to reduce hazards associated with landslides and to plan land cover.

A reconnaissance method for delineation of tracts for regional-scale mineral-resource assessment based on geologic-map data

USGS Publications Warehouse

Raines, G.L.; Mihalasky, M.J.

2002-01-01

The U.S. Geological Survey (USGS) is proposing to conduct a global mineral-resource assessment using geologic maps, significant deposits, and exploration history as minimal data requirements. Using a geologic map and locations of significant pluton-related deposits, the pluton-related-deposit tract maps from the USGS national mineral-resource assessment have been reproduced with GIS-based analysis and modeling techniques. Agreement, kappa, and Jaccard's C correlation statistics between the expert USGS and calculated tract maps of 87%, 40%, and 28%, respectively, have been achieved using a combination of weights-of-evidence and weighted logistic regression methods. Between the experts' and calculated maps, the ranking of states measured by total permissive area correlates at 84%. The disagreement between the experts and calculated results can be explained primarily by tracts defined by geophysical evidence not considered in the calculations, generalization of tracts by the experts, differences in map scales, and the experts' inclusion of large tracts that are arguably not permissive. This analysis shows that tracts for regional mineral-resource assessment approximating those delineated by USGS experts can be calculated using weights of evidence and weighted logistic regression, a geologic map, and the location of significant deposits. Weights of evidence and weighted logistic regression applied to a global geologic map could provide quickly a useful reconnaissance definition of tracts for mineral assessment that is tied to the data and is reproducible. ?? 2002 International Association for Mathematical Geology.

Fourier-Mellin moment-based intertwining map for image encryption

NASA Astrophysics Data System (ADS)

Kaur, Manjit; Kumar, Vijay

2018-03-01

In this paper, a robust image encryption technique that utilizes Fourier-Mellin moments and intertwining logistic map is proposed. Fourier-Mellin moment-based intertwining logistic map has been designed to overcome the issue of low sensitivity of an input image. Multi-objective Non-Dominated Sorting Genetic Algorithm (NSGA-II) based on Reinforcement Learning (MNSGA-RL) has been used to optimize the required parameters of intertwining logistic map. Fourier-Mellin moments are used to make the secret keys more secure. Thereafter, permutation and diffusion operations are carried out on input image using secret keys. The performance of proposed image encryption technique has been evaluated on five well-known benchmark images and also compared with seven well-known existing encryption techniques. The experimental results reveal that the proposed technique outperforms others in terms of entropy, correlation analysis, a unified average changing intensity and the number of changing pixel rate. The simulation results reveal that the proposed technique provides high level of security and robustness against various types of attacks.

Bifurcation structure of successive torus doubling

NASA Astrophysics Data System (ADS)

Sekikawa, Munehisa; Inaba, Naohiko; Yoshinaga, Tetsuya; Tsubouchi, Takashi

2006-01-01

The authors discuss the “embryology” of successive torus doubling via the bifurcation theory, and assert that the coupled map of a logistic map and a circle map has a structure capable of generating infinite number of torus doublings.

Evaluating the perennial stream using logistic regression in central Taiwan

NASA Astrophysics Data System (ADS)

Ruljigaljig, T.; Cheng, Y. S.; Lin, H. I.; Lee, C. H.; Yu, T. T.

2014-12-01

This study produces a perennial stream head potential map, based on a logistic regression method with a Geographic Information System (GIS). Perennial stream initiation locations, indicates the location of the groundwater and surface contact, were identified in the study area from field survey. The perennial stream potential map in central Taiwan was constructed using the relationship between perennial stream and their causative factors, such as Catchment area, slope gradient, aspect, elevation, groundwater recharge and precipitation. Here, the field surveys of 272 streams were determined in the study area. The areas under the curve for logistic regression methods were calculated as 0.87. The results illustrate the importance of catchment area and groundwater recharge as key factors within the model. The results obtained from the model within the GIS were then used to produce a map of perennial stream and estimate the location of perennial stream head.

Integration of logistic regression, Markov chain and cellular automata models to simulate urban expansion

NASA Astrophysics Data System (ADS)

Jokar Arsanjani, Jamal; Helbich, Marco; Kainz, Wolfgang; Darvishi Boloorani, Ali

2013-04-01

This research analyses the suburban expansion in the metropolitan area of Tehran, Iran. A hybrid model consisting of logistic regression model, Markov chain (MC), and cellular automata (CA) was designed to improve the performance of the standard logistic regression model. Environmental and socio-economic variables dealing with urban sprawl were operationalised to create a probability surface of spatiotemporal states of built-up land use for the years 2006, 2016, and 2026. For validation, the model was evaluated by means of relative operating characteristic values for different sets of variables. The approach was calibrated for 2006 by cross comparing of actual and simulated land use maps. The achieved outcomes represent a match of 89% between simulated and actual maps of 2006, which was satisfactory to approve the calibration process. Thereafter, the calibrated hybrid approach was implemented for forthcoming years. Finally, future land use maps for 2016 and 2026 were predicted by means of this hybrid approach. The simulated maps illustrate a new wave of suburban development in the vicinity of Tehran at the western border of the metropolis during the next decades.

Physical-enhanced secure strategy in an OFDM-PON.

PubMed

Zhang, Lijia; Xin, Xiangjun; Liu, Bo; Yu, Jianjun

2012-01-30

The physical layer of optical access network is vulnerable to various attacks. As the dramatic increase of users and network capacity, the issue of physical-layer security becomes more and more important. This paper proposes a physical-enhanced secure strategy for orthogonal frequency division multiplexing passive optical network (OFDM-PON) by employing frequency domain chaos scrambling. The Logistic map is adopted for the chaos mapping. The chaos scrambling strategy can dynamically allocate the scrambling matrices for different OFDM frames according to the initial condition, which enhance the confidentiality of the physical layer. A mathematical model of this secure system is derived firstly, which achieves a secure transmission at physical layer in OFDM-PON. The results from experimental implementation using Logistic mapped chaos scrambling are also given to further demonstrate the efficiency of this secure strategy. An 10.125 Gb/s 64QAM-OFDM data with Logistic mapped chaos scrambling are successfully transmitted over 25-km single mode fiber (SMF), and the experimental results show that proposed security scheme can protect the system from eavesdropper and attacker, while keep a good performance for the legal ONU.

C*-algebras associated with reversible extensions of logistic maps

NASA Astrophysics Data System (ADS)

Kwaśniewski, Bartosz K.

2012-10-01

The construction of reversible extensions of dynamical systems presented in a previous paper by the author and A.V. Lebedev is enhanced, so that it applies to arbitrary mappings (not necessarily with open range). It is based on calculating the maximal ideal space of C*-algebras that extends endomorphisms to partial automorphisms via partial isometric representations, and involves a new set of 'parameters' (the role of parameters is played by chosen sets or ideals). As model examples, we give a thorough description of reversible extensions of logistic maps and a classification of systems associated with compression of unitaries generating homeomorphisms of the circle. Bibliography: 34 titles.

Development and validation of a whole-cell inhibition assay for bacterial methionine aminopeptidase by surface-enhanced laser desorption ionization-time of flight mass spectrometry.

PubMed

Greis, Kenneth D; Zhou, Songtao; Siehnel, Richard; Klanke, Chuck; Curnow, Alan; Howard, Jeremy; Layh-Schmitt, Gerlinde

2005-08-01

Bacterial methionine aminopeptidase (MAP) is a protease that removes methionine from the N termini of newly synthesized bacterial proteins after the peptide deformylase enzyme cleaves the formyl group from the initiator formylmethionine. MAP is an essential bacterial gene product and thus represents a potential target for therapeutic intervention. A fundamental challenge in the antibacterial drug discovery field is demonstrating conclusively that compounds with in vitro enzyme inhibition activity produce the desired antibacterial effect by interfering with the same target in whole bacterial cells. One way to address the activity of inhibitor compounds is by profiling cellular biomarkers in whole bacterial cells using compounds that are known inhibitors of a particular target. However, in the case of MAP, no specific inhibitors were available for such studies. Instead, a genetically attenuated MAP strain was generated in which MAP expression was placed under the control of an inducible arabinose promoter. Thus, MAP inhibition in whole cells could be mimicked by growth in the absence of arabinose. This genetically attenuated strain was used as a benchmark for MAP inhibition by profiling whole-cell lysates for unprocessed proteins using surface-enhanced laser desorption ionization-time of flight mass spectrometry (MS). Eight proteins between 4 and 14 kDa were confirmed as being unprocessed and containing the initiator methionine by adding back purified MAP to the preparations prior to MS analysis. Upon establishing these unprocessed proteins as biomarkers for MAP inhibition, the assay was used to screen small-molecule chemical inhibitors of purified MAP for whole-cell activity. Fifteen compound classes yielded three classes of compound with whole-cell activity for further optimization by chemical expansion. This report presents the development, validation, and implementation of a whole-cell inhibition assay for MAP.

Using a binary logistic regression method and GIS for evaluating and mapping the groundwater spring potential in the Sultan Mountains (Aksehir, Turkey)

NASA Astrophysics Data System (ADS)

Ozdemir, Adnan

2011-07-01

SummaryThe purpose of this study is to produce a groundwater spring potential map of the Sultan Mountains in central Turkey, based on a logistic regression method within a Geographic Information System (GIS) environment. Using field surveys, the locations of the springs (440 springs) were determined in the study area. In this study, 17 spring-related factors were used in the analysis: geology, relative permeability, land use/land cover, precipitation, elevation, slope, aspect, total curvature, plan curvature, profile curvature, wetness index, stream power index, sediment transport capacity index, distance to drainage, distance to fault, drainage density, and fault density map. The coefficients of the predictor variables were estimated using binary logistic regression analysis and were used to calculate the groundwater spring potential for the entire study area. The accuracy of the final spring potential map was evaluated based on the observed springs. The accuracy of the model was evaluated by calculating the relative operating characteristics. The area value of the relative operating characteristic curve model was found to be 0.82. These results indicate that the model is a good estimator of the spring potential in the study area. The spring potential map shows that the areas of very low, low, moderate and high groundwater spring potential classes are 105.586 km 2 (28.99%), 74.271 km 2 (19.906%), 101.203 km 2 (27.14%), and 90.05 km 2 (24.671%), respectively. The interpretations of the potential map showed that stream power index, relative permeability of lithologies, geology, elevation, aspect, wetness index, plan curvature, and drainage density play major roles in spring occurrence and distribution in the Sultan Mountains. The logistic regression approach has not yet been used to delineate groundwater potential zones. In this study, the logistic regression method was used to locate potential zones for groundwater springs in the Sultan Mountains. The evolved model was found to be in strong agreement with the available groundwater spring test data. Hence, this method can be used routinely in groundwater exploration under favourable conditions.

Field evaluation of the Meade Readiview handheld microscope for diagnosis of intestinal schistosomiasis in Ugandan school children.

PubMed

Stothard, J Russell; Kabatereine, Narcis B; Tukahebwa, Edridah M; Kazibwe, Francis; Mathieson, William; Webster, Joanne P; Fenwick, Alan

2005-11-01

A novel, inexpensive handheld microscope, the Meade Readiview, was evaluated for field diagnosis of intestinal schistosomiasis by comparison of sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) against conventional compound microscopy as part of a parasitologic survey in nine sentinel schools and a rapid mapping survey across 22 schools in Uganda. Fecal smears from 685 primary school children were examined and the overall prevalence of Schistosoma mansoni was 45%. However, prevalence by school ranged widely from 0% to 100%. For individual diagnosis the Readiview had a sensitivity of 85%, a specificity of 96%, a PPV of 95%, and an NPV of 88%. Due to the poorer movement control of the glass slide on the Readiview stage, fecal smears with less than four eggs could be overlooked. At the highest magnification (160x), egg-like objects could be confounding. Estimating prevalence by school was usually within +/- 7% of that of conventional microscopy. Since the Readiview is more robust and portable, both in size and weight, and one-tenth as expensive as the traditional compound microscope, a change in the logistics and costs associated with field infection surveillance is possible. This inexpensive microscope is a pragmatic alternative to the compound microscope. It could play an important role in the collection of prevalence data to better guide anthelmintic drug delivery and also empower the diagnostic capacity of peripheral health centers where compound microscopes are few or absent.

Calculating Lyapunov Exponents: Applying Products and Evaluating Integrals

ERIC Educational Resources Information Center

McCartney, Mark

2010-01-01

Two common examples of one-dimensional maps (the tent map and the logistic map) are generalized to cases where they have more than one control parameter. In the case of the tent map, this still allows the global Lyapunov exponent to be found analytically, and permits various properties of the resulting global Lyapunov exponents to be investigated…

Universal renormalization-group dynamics at the onset of chaos in logistic maps and nonextensive statistical mechanics

NASA Astrophysics Data System (ADS)

Baldovin, F.; Robledo, A.

2002-10-01

We uncover the dynamics at the chaos threshold μ∞ of the logistic map and find that it consists of trajectories made of intertwined power laws that reproduce the entire period-doubling cascade that occurs for μ<μ∞. We corroborate this structure analytically via the Feigenbaum renormalization-group (RG) transformation and find that the sensitivity to initial conditions has precisely the form of a q exponential, of which we determine the q index and the q-generalized Lyapunov coefficient λq. Our results are an unequivocal validation of the applicability of the nonextensive generalization of Boltzmann-Gibbs statistical mechanics to critical points of nonlinear maps.

Fast Shear Compounding Using Robust Two-dimensional Shear Wave Speed Calculation and Multi-directional Filtering

PubMed Central

Song, Pengfei; Manduca, Armando; Zhao, Heng; Urban, Matthew W.; Greenleaf, James F.; Chen, Shigao

2014-01-01

A fast shear compounding method was developed in this study using only one shear wave push-detect cycle, such that the shear wave imaging frame rate is preserved and motion artifacts are minimized. The proposed method is composed of the following steps: 1. applying a comb-push to produce multiple differently angled shear waves at different spatial locations simultaneously; 2. decomposing the complex shear wave field into individual shear wave fields with differently oriented shear waves using a multi-directional filter; 3. using a robust two-dimensional (2D) shear wave speed calculation to reconstruct 2D shear elasticity maps from each filter direction; 4. compounding these 2D maps from different directions into a final map. An inclusion phantom study showed that the fast shear compounding method could achieve comparable performance to conventional shear compounding without sacrificing the imaging frame rate. A multi-inclusion phantom experiment showed that the fast shear compounding method could provide a full field-of-view (FOV), 2D, and compounded shear elasticity map with three types of inclusions clearly resolved and stiffness measurements showing excellent agreement to the nominal values. PMID:24613636

Bifurcation behaviors of synchronized regions in logistic map networks with coupling delay

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

Tang, Longkun, E-mail: tomlk@hqu.edu.cn, E-mail: xqwu@whu.edu.cn; Wu, Xiaoqun, E-mail: tomlk@hqu.edu.cn, E-mail: xqwu@whu.edu.cn; Lu, Jun-an, E-mail: jalu@whu.edu.cn

2015-03-15

Network synchronized regions play an extremely important role in network synchronization according to the master stability function framework. This paper focuses on network synchronous state stability via studying the effects of nodal dynamics, coupling delay, and coupling way on synchronized regions in Logistic map networks. Theoretical and numerical investigations show that (1) network synchronization is closely associated with its nodal dynamics. Particularly, the synchronized region bifurcation points through which the synchronized region switches from one type to another are in good agreement with those of the uncoupled node system, and chaotic nodal dynamics can greatly impede network synchronization. (2) Themore » coupling delay generally impairs the synchronizability of Logistic map networks, which is also dominated by the parity of delay for some nodal parameters. (3) A simple nonlinear coupling facilitates network synchronization more than the linear one does. The results found in this paper will help to intensify our understanding for the synchronous state stability in discrete-time networks with coupling delay.« less

An Experimental Realization of a Chaos-Based Secure Communication Using Arduino Microcontrollers.

PubMed

Zapateiro De la Hoz, Mauricio; Acho, Leonardo; Vidal, Yolanda

2015-01-01

Security and secrecy are some of the important concerns in the communications world. In the last years, several encryption techniques have been proposed in order to improve the secrecy of the information transmitted. Chaos-based encryption techniques are being widely studied as part of the problem because of the highly unpredictable and random-look nature of the chaotic signals. In this paper we propose a digital-based communication system that uses the logistic map which is a mathematically simple model that is chaotic under certain conditions. The input message signal is modulated using a simple Delta modulator and encrypted using a logistic map. The key signal is also encrypted using the same logistic map with different initial conditions. In the receiver side, the binary-coded message is decrypted using the encrypted key signal that is sent through one of the communication channels. The proposed scheme is experimentally tested using Arduino shields which are simple yet powerful development kits that allows for the implementation of the communication system for testing purposes.

Development and Validation of a Whole-Cell Inhibition Assay for Bacterial Methionine Aminopeptidase by Surface-Enhanced Laser Desorption Ionization-Time of Flight Mass Spectrometry

PubMed Central

Greis, Kenneth D.; Zhou, Songtao; Siehnel, Richard; Klanke, Chuck; Curnow, Alan; Howard, Jeremy; Layh-Schmitt, Gerlinde

2005-01-01

Bacterial methionine aminopeptidase (MAP) is a protease that removes methionine from the N termini of newly synthesized bacterial proteins after the peptide deformylase enzyme cleaves the formyl group from the initiator formylmethionine. MAP is an essential bacterial gene product and thus represents a potential target for therapeutic intervention. A fundamental challenge in the antibacterial drug discovery field is demonstrating conclusively that compounds with in vitro enzyme inhibition activity produce the desired antibacterial effect by interfering with the same target in whole bacterial cells. One way to address the activity of inhibitor compounds is by profiling cellular biomarkers in whole bacterial cells using compounds that are known inhibitors of a particular target. However, in the case of MAP, no specific inhibitors were available for such studies. Instead, a genetically attenuated MAP strain was generated in which MAP expression was placed under the control of an inducible arabinose promoter. Thus, MAP inhibition in whole cells could be mimicked by growth in the absence of arabinose. This genetically attenuated strain was used as a benchmark for MAP inhibition by profiling whole-cell lysates for unprocessed proteins using surface-enhanced laser desorption ionization-time of flight mass spectrometry (MS). Eight proteins between 4 and 14 kDa were confirmed as being unprocessed and containing the initiator methionine by adding back purified MAP to the preparations prior to MS analysis. Upon establishing these unprocessed proteins as biomarkers for MAP inhibition, the assay was used to screen small-molecule chemical inhibitors of purified MAP for whole-cell activity. Fifteen compound classes yielded three classes of compound with whole-cell activity for further optimization by chemical expansion. This report presents the development, validation, and implementation of a whole-cell inhibition assay for MAP. PMID:16048957

Two models for evaluating landslide hazards

USGS Publications Warehouse

Davis, J.C.; Chung, C.-J.; Ohlmacher, G.C.

2006-01-01

Two alternative procedures for estimating landslide hazards were evaluated using data on topographic digital elevation models (DEMs) and bedrock lithologies in an area adjacent to the Missouri River in Atchison County, Kansas, USA. The two procedures are based on the likelihood ratio model but utilize different assumptions. The empirical likelihood ratio model is based on non-parametric empirical univariate frequency distribution functions under an assumption of conditional independence while the multivariate logistic discriminant model assumes that likelihood ratios can be expressed in terms of logistic functions. The relative hazards of occurrence of landslides were estimated by an empirical likelihood ratio model and by multivariate logistic discriminant analysis. Predictor variables consisted of grids containing topographic elevations, slope angles, and slope aspects calculated from a 30-m DEM. An integer grid of coded bedrock lithologies taken from digitized geologic maps was also used as a predictor variable. Both statistical models yield relative estimates in the form of the proportion of total map area predicted to already contain or to be the site of future landslides. The stabilities of estimates were checked by cross-validation of results from random subsamples, using each of the two procedures. Cell-by-cell comparisons of hazard maps made by the two models show that the two sets of estimates are virtually identical. This suggests that the empirical likelihood ratio and the logistic discriminant analysis models are robust with respect to the conditional independent assumption and the logistic function assumption, respectively, and that either model can be used successfully to evaluate landslide hazards. ?? 2006.

Chimera states in networks of logistic maps with hierarchical connectivities

NASA Astrophysics Data System (ADS)

zur Bonsen, Alexander; Omelchenko, Iryna; Zakharova, Anna; Schöll, Eckehard

2018-04-01

Chimera states are complex spatiotemporal patterns consisting of coexisting domains of coherence and incoherence. We study networks of nonlocally coupled logistic maps and analyze systematically how the dilution of the network links influences the appearance of chimera patterns. The network connectivities are constructed using an iterative Cantor algorithm to generate fractal (hierarchical) connectivities. Increasing the hierarchical level of iteration, we compare the resulting spatiotemporal patterns. We demonstrate that a high clustering coefficient and symmetry of the base pattern promotes chimera states, and asymmetric connectivities result in complex nested chimera patterns.

A case study in bifurcation theory

NASA Astrophysics Data System (ADS)

Khmou, Youssef

This short paper is focused on the bifurcation theory found in map functions called evolution functions that are used in dynamical systems. The most well-known example of discrete iterative function is the logistic map that puts into evidence bifurcation and chaotic behavior of the topology of the logistic function. We propose a new iterative function based on Lorentizan function and its generalized versions, based on numerical study, it is found that the bifurcation of the Lorentzian function is of second-order where it is characterized by the absence of chaotic region.

Supply Chain Management in Humanitarian Relief Logistics

DTIC Science & Technology

2004-03-01

information (1) Pre- and post - disaster assessment (4,14,19,30) Cluster sampling (20) Community vulnerability maps (5,21) Implement a logistics information...evaluated? Are post - disaster assessment responsibilities identified and formally assigned? Have agreements with the host government been made to make use

Distribution of submerged aquatic vegetation in the St. Louis River estuary: Maps and models

EPA Science Inventory

In late summer of 2011 and 2012 we used echo-sounding gear to map the distribution of submerged aquatic vegetation (SAV) in the St. Louis River Estuary (SLRE). From these data we produced maps of SAV distribution and we created logistic models to predict the probability of occurr...

Fast shear compounding using robust 2-D shear wave speed calculation and multi-directional filtering.

PubMed

Song, Pengfei; Manduca, Armando; Zhao, Heng; Urban, Matthew W; Greenleaf, James F; Chen, Shigao

2014-06-01

A fast shear compounding method was developed in this study using only one shear wave push-detect cycle, such that the shear wave imaging frame rate is preserved and motion artifacts are minimized. The proposed method is composed of the following steps: 1. Applying a comb-push to produce multiple differently angled shear waves at different spatial locations simultaneously; 2. Decomposing the complex shear wave field into individual shear wave fields with differently oriented shear waves using a multi-directional filter; 3. Using a robust 2-D shear wave speed calculation to reconstruct 2-D shear elasticity maps from each filter direction; and 4. Compounding these 2-D maps from different directions into a final map. An inclusion phantom study showed that the fast shear compounding method could achieve comparable performance to conventional shear compounding without sacrificing the imaging frame rate. A multi-inclusion phantom experiment showed that the fast shear compounding method could provide a full field-of-view, 2-D and compounded shear elasticity map with three types of inclusions clearly resolved and stiffness measurements showing excellent agreement to the nominal values. Copyright © 2014 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

50 CFR 37.2 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-10-01

.... (d) Coastal plain means that area shown on the map entitled “Arctic National Wildlife Refuge”, dated... related activities and logistics required for either or both, and any other type of geophysical... plain involving surface use of refuge lands and all related activities and logistics required for such...

50 CFR 37.2 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

.... (d) Coastal plain means that area shown on the map entitled “Arctic National Wildlife Refuge”, dated... related activities and logistics required for either or both, and any other type of geophysical... plain involving surface use of refuge lands and all related activities and logistics required for such...

50 CFR 37.2 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

.... (d) Coastal plain means that area shown on the map entitled “Arctic National Wildlife Refuge”, dated... related activities and logistics required for either or both, and any other type of geophysical... plain involving surface use of refuge lands and all related activities and logistics required for such...

50 CFR 37.2 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

.... (d) Coastal plain means that area shown on the map entitled “Arctic National Wildlife Refuge”, dated... related activities and logistics required for either or both, and any other type of geophysical... plain involving surface use of refuge lands and all related activities and logistics required for such...

50 CFR 37.2 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-10-01

.... (d) Coastal plain means that area shown on the map entitled “Arctic National Wildlife Refuge”, dated... related activities and logistics required for either or both, and any other type of geophysical... plain involving surface use of refuge lands and all related activities and logistics required for such...

Small molecule compound logistics outsourcing--going beyond the "thought experiment".

PubMed

Ramsay, Devon L; Kwasnoski, Joseph D; Caldwell, Gary W

2012-01-01

Increasing pressure on the pharmaceutical industry to reduce cost and focus internal resources on "high value" activities is driving a trend to outsource traditionally "in-house" drug discovery activities. Compound collections are typically viewed as drug discovery's "crown jewels"; however, in late 2007, Johnson & Johnson Pharmaceutical Research & Development (J PRD) took a bold step to move their entire North American compound inventory and processing capability to an external third party vendor. The authors discuss the combination model implemented, that of local compound logistics site support with an outsourced centralized processing center. Some of the lessons learned over the past five years were predictable while others were unexpected. The substantial cost savings, improved local service response and flexible platform to adjust to changing business needs resulted. Continued sustainable success relies heavily upon maintaining internal headcount dedicated to vendor management, an open collaboration approach and a solid information technology infrastructure with complete transparency and visibility.

A search map for organic additives and solvents applicable in high-voltage rechargeable batteries.

PubMed

Park, Min Sik; Park, Insun; Kang, Yoon-Sok; Im, Dongmin; Doo, Seok-Gwang

2016-09-29

Chemical databases store information such as molecular formulas, chemical structures, and the physical and chemical properties of compounds. Although the massive databases of organic compounds exist, the search of target materials is constrained by a lack of physical and chemical properties necessary for specific applications. With increasing interest in the development of energy storage systems such as high-voltage rechargeable batteries, it is critical to find new electrolytes efficiently. Here we build a search map to screen organic additives and solvents with novel core and functional groups, and thus establish a database of electrolytes to identify the most promising electrolyte for high-voltage rechargeable batteries. This search map is generated from MAssive Molecular Map BUilder (MAMMBU) by combining a high-throughput quantum chemical simulation with an artificial neural network algorithm. MAMMBU is designed for predicting the oxidation and reduction potentials of organic compounds existing in the massive organic compound database, PubChem. We develop a search map composed of ∼1 000 000 redox potentials and elucidate the quantitative relationship between the redox potentials and functional groups. Finally, we screen a quinoxaline compound for an anode additive and apply it to electrolytes and improve the capacity retention from 64.3% to 80.8% near 200 cycles for a lithium ion battery in experiments.

Landslide Hazard Mapping in Rwanda Using Logistic Regression

NASA Astrophysics Data System (ADS)

Piller, A.; Anderson, E.; Ballard, H.

2015-12-01

Landslides in the United States cause more than $1 billion in damages and 50 deaths per year (USGS 2014). Globally, figures are much more grave, yet monitoring, mapping and forecasting of these hazards are less than adequate. Seventy-five percent of the population of Rwanda earns a living from farming, mostly subsistence. Loss of farmland, housing, or life, to landslides is a very real hazard. Landslides in Rwanda have an impact at the economic, social, and environmental level. In a developing nation that faces challenges in tracking, cataloging, and predicting the numerous landslides that occur each year, satellite imagery and spatial analysis allow for remote study. We have focused on the development of a landslide inventory and a statistical methodology for assessing landslide hazards. Using logistic regression on approximately 30 test variables (i.e. slope, soil type, land cover, etc.) and a sample of over 200 landslides, we determine which variables are statistically most relevant to landslide occurrence in Rwanda. A preliminary predictive hazard map for Rwanda has been produced, using the variables selected from the logistic regression analysis.

GIS-based rare events logistic regression for mineral prospectivity mapping

NASA Astrophysics Data System (ADS)

Xiong, Yihui; Zuo, Renguang

2018-02-01

Mineralization is a special type of singularity event, and can be considered as a rare event, because within a specific study area the number of prospective locations (1s) are considerably fewer than the number of non-prospective locations (0s). In this study, GIS-based rare events logistic regression (RELR) was used to map the mineral prospectivity in the southwestern Fujian Province, China. An odds ratio was used to measure the relative importance of the evidence variables with respect to mineralization. The results suggest that formations, granites, and skarn alterations, followed by faults and aeromagnetic anomaly are the most important indicators for the formation of Fe-related mineralization in the study area. The prediction rate and the area under the curve (AUC) values show that areas with higher probability have a strong spatial relationship with the known mineral deposits. Comparing the results with original logistic regression (OLR) demonstrates that the GIS-based RELR performs better than OLR. The prospectivity map obtained in this study benefits the search for skarn Fe-related mineralization in the study area.

An Experimental Realization of a Chaos-Based Secure Communication Using Arduino Microcontrollers

PubMed Central

Zapateiro De la Hoz, Mauricio; Vidal, Yolanda

2015-01-01

Security and secrecy are some of the important concerns in the communications world. In the last years, several encryption techniques have been proposed in order to improve the secrecy of the information transmitted. Chaos-based encryption techniques are being widely studied as part of the problem because of the highly unpredictable and random-look nature of the chaotic signals. In this paper we propose a digital-based communication system that uses the logistic map which is a mathematically simple model that is chaotic under certain conditions. The input message signal is modulated using a simple Delta modulator and encrypted using a logistic map. The key signal is also encrypted using the same logistic map with different initial conditions. In the receiver side, the binary-coded message is decrypted using the encrypted key signal that is sent through one of the communication channels. The proposed scheme is experimentally tested using Arduino shields which are simple yet powerful development kits that allows for the implementation of the communication system for testing purposes. PMID:26413563

Forest/non-forest mapping using inventory data and satellite imagery

Treesearch

Ronald E. McRoberts

2002-01-01

For two study areas in Minnesota, USA, one heavily forested and one sparsely forested, maps of predicted proportion forest area were created using Landsat Thematic Mapper imagery, forest inventory plot data, and two prediction techniques, logistic regression and a k-Nearest Neighbours technique. The maps were used to increase the precision of forest area estimates by...

Assessing landslide susceptibility by statistical data analysis and GIS: the case of Daunia (Apulian Apennines, Italy)

NASA Astrophysics Data System (ADS)

Ceppi, C.; Mancini, F.; Ritrovato, G.

2009-04-01

This study aim at the landslide susceptibility mapping within an area of the Daunia (Apulian Apennines, Italy) by a multivariate statistical method and data manipulation in a Geographical Information System (GIS) environment. Among the variety of existing statistical data analysis techniques, the logistic regression was chosen to produce a susceptibility map all over an area where small settlements are historically threatened by landslide phenomena. By logistic regression a best fitting between the presence or absence of landslide (dependent variable) and the set of independent variables is performed on the basis of a maximum likelihood criterion, bringing to the estimation of regression coefficients. The reliability of such analysis is therefore due to the ability to quantify the proneness to landslide occurrences by the probability level produced by the analysis. The inventory of dependent and independent variables were managed in a GIS, where geometric properties and attributes have been translated into raster cells in order to proceed with the logistic regression by means of SPSS (Statistical Package for the Social Sciences) package. A landslide inventory was used to produce the bivariate dependent variable whereas the independent set of variable concerned with slope, aspect, elevation, curvature, drained area, lithology and land use after their reductions to dummy variables. The effect of independent parameters on landslide occurrence was assessed by the corresponding coefficient in the logistic regression function, highlighting a major role played by the land use variable in determining occurrence and distribution of phenomena. Once the outcomes of the logistic regression are determined, data are re-introduced in the GIS to produce a map reporting the proneness to landslide as predicted level of probability. As validation of results and regression model a cell-by-cell comparison between the susceptibility map and the initial inventory of landslide events was performed and an agreement at 75% level achieved.

Spatiotemporal chaos of fractional order logistic equation in nonlinear coupled lattices

NASA Astrophysics Data System (ADS)

Zhang, Ying-Qian; Wang, Xing-Yuan; Liu, Li-Yan; He, Yi; Liu, Jia

2017-11-01

We investigate a new spatiotemporal dynamics with fractional order differential logistic map and spatial nonlinear coupling. The spatial nonlinear coupling features such as the higher percentage of lattices in chaotic behaviors for most of parameters and none periodic windows in bifurcation diagrams are held, which are more suitable for encryptions than the former adjacent coupled map lattices. Besides, the proposed model has new features such as the wider parameter range and wider range of state amplitude for ergodicity, which contributes a wider range of key space when applied in encryptions. The simulations and theoretical analyses are developed in this paper.

A superoxide anion-scavenger, 1,3-selenazolidin-4-one suppresses serum deprivation-induced apoptosis in PC12 cells by activating MAP kinase

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

Nishina, Atsuyoshi, E-mail: nishina@yone.ac.jp; Kimura, Hirokazu; Kozawa, Kunihisa

Synthetic organic selenium compounds, such as ebselen, may show glutathione peroxidase-like antioxidant activity and have a neurotrophic effect. We synthesized 1,3-selenazolidin-4-ones, new types of synthetic organic selenium compounds (five-member ring compounds), to study their possible applications as antioxidants or neurotrophic-like molecules. Their superoxide radical scavenging effects were assessed using the quantitative, highly sensitive method of real-time kinetic chemiluminescence. At 166 {mu}M, the O{sub 2}{sup -} scavenging activity of 1,3-selenazolidin-4-ones ranged from 0 to 66.2%. 2-[3-(4-Methoxyphenyl)-4-oxo-1,3-selenazolidin-2-ylidene]malononitrile (compound b) showed the strongest superoxide anion-scavenging activity among the 6 kinds of 2-methylene-1,3-selenazolidin-4-ones examined. Compound b had a 50% inhibitory concentration (IC{sub 50}) atmore » 92.4 {mu}M and acted as an effective and potentially useful O{sub 2}{sup -} scavenger in vitro. The effect of compound b on rat pheochromocytome cell line PC12 cells was compared with that of ebselen or nerve growth factor (NGF) by use of the MTT [3-(4, 5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide] assay. When ebselen was added at 100 {mu}M or more, toxicity toward PC12 cells was evident. On the contrary, compound b suppressed serum deprivation-induced apoptosis in PC12 cells more effectively at a concentration of 100 {mu}M. The activity of compound b to phosphorylate mitogen-activated protein kinase/extracellular signal-regulated protein kinase (ERK) 1/2 (MAP kinase) in PC12 cells was higher than that of ebselen, and the former at 100 {mu}M induced the phosphorylation of MAP kinase to a degree similar to that induced by NGF. From these results, we conclude that this superoxide anion-scavenger, compound b, suppressed serum deprivation-induced apoptosis by promoting the phosphorylation of MAP kinase. -- Highlights: Black-Right-Pointing-Pointer We newly synthesized 1,3-selenazolidin-4-ones to study their possible applications. Black-Right-Pointing-Pointer Among new compounds, compound b showed the strongest SOSA. Black-Right-Pointing-Pointer Compound b suppressed serum deprivation-induced apoptosis in PC12 cells. Black-Right-Pointing-Pointer Compound b suppressed apoptosis by promoting the activation of MAP kinase.« less

Landslide susceptibility mapping for a part of North Anatolian Fault Zone (Northeast Turkey) using logistic regression model

NASA Astrophysics Data System (ADS)

Demir, Gökhan; aytekin, mustafa; banu ikizler, sabriye; angın, zekai

2013-04-01

The North Anatolian Fault is know as one of the most active and destructive fault zone which produced many earthquakes with high magnitudes. Along this fault zone, the morphology and the lithological features are prone to landsliding. However, many earthquake induced landslides were recorded by several studies along this fault zone, and these landslides caused both injuiries and live losts. Therefore, a detailed landslide susceptibility assessment for this area is indispancable. In this context, a landslide susceptibility assessment for the 1445 km2 area in the Kelkit River valley a part of North Anatolian Fault zone (Eastern Black Sea region of Turkey) was intended with this study, and the results of this study are summarized here. For this purpose, geographical information system (GIS) and a bivariate statistical model were used. Initially, Landslide inventory maps are prepared by using landslide data determined by field surveys and landslide data taken from General Directorate of Mineral Research and Exploration. The landslide conditioning factors are considered to be lithology, slope gradient, slope aspect, topographical elevation, distance to streams, distance to roads and distance to faults, drainage density and fault density. ArcGIS package was used to manipulate and analyze all the collected data Logistic regression method was applied to create a landslide susceptibility map. Landslide susceptibility maps were divided into five susceptibility regions such as very low, low, moderate, high and very high. The result of the analysis was verified using the inventoried landslide locations and compared with the produced probability model. For this purpose, Area Under Curvature (AUC) approach was applied, and a AUC value was obtained. Based on this AUC value, the obtained landslide susceptibility map was concluded as satisfactory. Keywords: North Anatolian Fault Zone, Landslide susceptibility map, Geographical Information Systems, Logistic Regression Analysis.

Accurate estimation of short read mapping quality for next-generation genome sequencing

PubMed Central

Ruffalo, Matthew; Koyutürk, Mehmet; Ray, Soumya; LaFramboise, Thomas

2012-01-01

Motivation: Several software tools specialize in the alignment of short next-generation sequencing reads to a reference sequence. Some of these tools report a mapping quality score for each alignment—in principle, this quality score tells researchers the likelihood that the alignment is correct. However, the reported mapping quality often correlates weakly with actual accuracy and the qualities of many mappings are underestimated, encouraging the researchers to discard correct mappings. Further, these low-quality mappings tend to correlate with variations in the genome (both single nucleotide and structural), and such mappings are important in accurately identifying genomic variants. Approach: We develop a machine learning tool, LoQuM (LOgistic regression tool for calibrating the Quality of short read mappings, to assign reliable mapping quality scores to mappings of Illumina reads returned by any alignment tool. LoQuM uses statistics on the read (base quality scores reported by the sequencer) and the alignment (number of matches, mismatches and deletions, mapping quality score returned by the alignment tool, if available, and number of mappings) as features for classification and uses simulated reads to learn a logistic regression model that relates these features to actual mapping quality. Results: We test the predictions of LoQuM on an independent dataset generated by the ART short read simulation software and observe that LoQuM can ‘resurrect’ many mappings that are assigned zero quality scores by the alignment tools and are therefore likely to be discarded by researchers. We also observe that the recalibration of mapping quality scores greatly enhances the precision of called single nucleotide polymorphisms. Availability: LoQuM is available as open source at http://compbio.case.edu/loqum/. Contact: matthew.ruffalo@case.edu. PMID:22962451

Predicting the aquatic toxicity mode of action using logistic regression and linear discriminant analysis.

PubMed

Ren, Y Y; Zhou, L C; Yang, L; Liu, P Y; Zhao, B W; Liu, H X

2016-09-01

The paper highlights the use of the logistic regression (LR) method in the construction of acceptable statistically significant, robust and predictive models for the classification of chemicals according to their aquatic toxic modes of action. Essentials accounting for a reliable model were all considered carefully. The model predictors were selected by stepwise forward discriminant analysis (LDA) from a combined pool of experimental data and chemical structure-based descriptors calculated by the CODESSA and DRAGON software packages. Model predictive ability was validated both internally and externally. The applicability domain was checked by the leverage approach to verify prediction reliability. The obtained models are simple and easy to interpret. In general, LR performs much better than LDA and seems to be more attractive for the prediction of the more toxic compounds, i.e. compounds that exhibit excess toxicity versus non-polar narcotic compounds and more reactive compounds versus less reactive compounds. In addition, model fit and regression diagnostics was done through the influence plot which reflects the hat-values, studentized residuals, and Cook's distance statistics of each sample. Overdispersion was also checked for the LR model. The relationships between the descriptors and the aquatic toxic behaviour of compounds are also discussed.

Image encryption with chaotic map and Arnold transform in the gyrator transform domains

NASA Astrophysics Data System (ADS)

Sang, Jun; Luo, Hongling; Zhao, Jun; Alam, Mohammad S.; Cai, Bin

2017-05-01

An image encryption method combing chaotic map and Arnold transform in the gyrator transform domains was proposed. Firstly, the original secret image is XOR-ed with a random binary sequence generated by a logistic map. Then, the gyrator transform is performed. Finally, the amplitude and phase of the gyrator transform are permutated by Arnold transform. The decryption procedure is the inverse operation of encryption. The secret keys used in the proposed method include the control parameter and the initial value of the logistic map, the rotation angle of the gyrator transform, and the transform number of the Arnold transform. Therefore, the key space is large, while the key data volume is small. The numerical simulation was conducted to demonstrate the effectiveness of the proposed method and the security analysis was performed in terms of the histogram of the encrypted image, the sensitiveness to the secret keys, decryption upon ciphertext loss, and resistance to the chosen-plaintext attack.

Multinomial Logistic Regression Predicted Probability Map To Visualize The Influence Of Socio-Economic Factors On Breast Cancer Occurrence in Southern Karnataka

NASA Astrophysics Data System (ADS)

Madhu, B.; Ashok, N. C.; Balasubramanian, S.

2014-11-01

Multinomial logistic regression analysis was used to develop statistical model that can predict the probability of breast cancer in Southern Karnataka using the breast cancer occurrence data during 2007-2011. Independent socio-economic variables describing the breast cancer occurrence like age, education, occupation, parity, type of family, health insurance coverage, residential locality and socioeconomic status of each case was obtained. The models were developed as follows: i) Spatial visualization of the Urban- rural distribution of breast cancer cases that were obtained from the Bharat Hospital and Institute of Oncology. ii) Socio-economic risk factors describing the breast cancer occurrences were complied for each case. These data were then analysed using multinomial logistic regression analysis in a SPSS statistical software and relations between the occurrence of breast cancer across the socio-economic status and the influence of other socio-economic variables were evaluated and multinomial logistic regression models were constructed. iii) the model that best predicted the occurrence of breast cancer were identified. This multivariate logistic regression model has been entered into a geographic information system and maps showing the predicted probability of breast cancer occurrence in Southern Karnataka was created. This study demonstrates that Multinomial logistic regression is a valuable tool for developing models that predict the probability of breast cancer Occurrence in Southern Karnataka.

Synthesis Road Map Problems in Organic Chemistry

ERIC Educational Resources Information Center

Schaller, Chris P.; Graham, Kate J.; Jones, T. Nicholas

2014-01-01

Road map problems ask students to integrate their knowledge of organic reactions with pattern recognition skills to "fill in the blanks" in the synthesis of an organic compound. Students are asked to identify familiar organic reactions in unfamiliar contexts. A practical context, such as a medicinally useful target compound, helps…

Evaluating Cost when Selecting Performance Reference Compounds for the Environmental Deployment of Polyethylene Passive Samplers

EPA Science Inventory

A challenge in environmental passive sampling is determining when equilibrium is achieved between the sampler, target contaminants, and environmental phases. A common approach is the use of performance reference compounds (PRCs) to indicate degree of equilibrium. One logistical...

Closer look at time averages of the logistic map at the edge of chaos

NASA Astrophysics Data System (ADS)

Tirnakli, Ugur; Tsallis, Constantino; Beck, Christian

2009-05-01

The probability distribution of sums of iterates of the logistic map at the edge of chaos has been recently shown [U. Tirnakli , Phys. Rev. E 75, 040106(R) (2007)] to be numerically consistent with a q -Gaussian, the distribution which—under appropriate constraints—maximizes the nonadditive entropy Sq , which is the basis of nonextensive statistical mechanics. This analysis was based on a study of the tails of the distribution. We now check the entire distribution, in particular, its central part. This is important in view of a recent q generalization of the central limit theorem, which states that for certain classes of strongly correlated random variables the rescaled sum approaches a q -Gaussian limit distribution. We numerically investigate for the logistic map with a parameter in a small vicinity of the critical point under which conditions there is convergence to a q -Gaussian both in the central region and in the tail region and find a scaling law involving the Feigenbaum constant δ . Our results are consistent with a large number of already available analytical and numerical evidences that the edge of chaos is well described in terms of the entropy Sq and its associated concepts.

41 CFR Appendix E to Chapter 301 - Suggested Guidance for Conference Planning

Code of Federal Regulations, 2013 CFR

2013-07-01

..., and logistics, e.g., schedule, exhibits, speaker. • Making suggestions as to who should attend...). • Registration instructions. • Registration deadline date. • Detailed area map and driving instructions.... • Identify designated smoking areas. • Special events. • Message center information. • Area map. • Other...

41 CFR Appendix E to Chapter 301 - Suggested Guidance for Conference Planning

Code of Federal Regulations, 2012 CFR

2012-07-01

..., and logistics, e.g., schedule, exhibits, speaker. • Making suggestions as to who should attend...). • Registration instructions. • Registration deadline date. • Detailed area map and driving instructions.... • Identify designated smoking areas. • Special events. • Message center information. • Area map. • Other...

Re-Purposing Google Maps Visualisation for Teaching Logistics Systems

ERIC Educational Resources Information Center

Cheong, France; Cheong, Christopher; Jie, Ferry

2012-01-01

Routing is the process of selecting appropriate paths and ordering waypoints in a network. It plays an important part in logistics and supply chain management as choosing the optimal route can minimise distribution costs. Routing optimisation, however, is a difficult problem to solve and computer software is often used to determine the best route.…

Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds.

PubMed

Lin, Arkadii; Horvath, Dragos; Afonina, Valentina; Marcou, Gilles; Reymond, Jean-Louis; Varnek, Alexandre

2018-03-20

This is, to our knowledge, the most comprehensive analysis to date based on generative topographic mapping (GTM) of fragment-like chemical space (40 million molecules with no more than 17 heavy atoms, both from the theoretically enumerated GDB-17 and real-world PubChem/ChEMBL databases). The challenge was to prove that a robust map of fragment-like chemical space can actually be built, in spite of a limited (≪10 5 ) maximal number of compounds ("frame set") usable for fitting the GTM manifold. An evolutionary map building strategy has been updated with a "coverage check" step, which discards manifolds failing to accommodate compounds outside the frame set. The evolved map has a good propensity to separate actives from inactives for more than 20 external structure-activity sets. It was proven to properly accommodate the entire collection of 40 m compounds. Next, it served as a library comparison tool to highlight biases of real-world molecules (PubChem and ChEMBL) versus the universe of all possible species represented by FDB-17, a fragment-like subset of GDB-17 containing 10 million molecules. Specific patterns, proper to some libraries and absent from others (diversity holes), were highlighted. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

41 CFR Appendix E to Chapter 301 - Suggested Guidance for Conference Planning

Code of Federal Regulations, 2014 CFR

2014-07-01

... logistics, e.g., schedule, exhibits, speaker. • Making suggestions as to who should attend. • Serving as... date. • Detailed area map and driving instructions. • Information on traffic patterns to avoid rush... designated smoking areas. • Special events. • Message center information. • Area map. • Other pertinent...

E-Index for Differentiating Complex Dynamic Traits

PubMed Central

Qi, Jiandong; Sun, Jianfeng; Wang, Jianxin

2016-01-01

While it is a daunting challenge in current biology to understand how the underlying network of genes regulates complex dynamic traits, functional mapping, a tool for mapping quantitative trait loci (QTLs) and single nucleotide polymorphisms (SNPs), has been applied in a variety of cases to tackle this challenge. Though useful and powerful, functional mapping performs well only when one or more model parameters are clearly responsible for the developmental trajectory, typically being a logistic curve. Moreover, it does not work when the curves are more complex than that, especially when they are not monotonic. To overcome this inadaptability, we therefore propose a mathematical-biological concept and measurement, E-index (earliness-index), which cumulatively measures the earliness degree to which a variable (or a dynamic trait) increases or decreases its value. Theoretical proofs and simulation studies show that E-index is more general than functional mapping and can be applied to any complex dynamic traits, including those with logistic curves and those with nonmonotonic curves. Meanwhile, E-index vector is proposed as well to capture more subtle differences of developmental patterns. PMID:27064292

Effect of randomness in logistic maps

NASA Astrophysics Data System (ADS)

Khaleque, Abdul; Sen, Parongama

2015-01-01

We study a random logistic map xt+1 = atxt[1 - xt] where at are bounded (q1 ≤ at ≤ q2), random variables independently drawn from a distribution. xt does not show any regular behavior in time. We find that xt shows fully ergodic behavior when the maximum allowed value of at is 4. However , averaged over different realizations reaches a fixed point. For 1 ≤ at ≤ 4, the system shows nonchaotic behavior and the Lyapunov exponent is strongly dependent on the asymmetry of the distribution from which at is drawn. Chaotic behavior is seen to occur beyond a threshold value of q1(q2) when q2(q1) is varied. The most striking result is that the random map is chaotic even when q2 is less than the threshold value 3.5699⋯ at which chaos occurs in the nonrandom map. We also employ a different method in which a different set of random variables are used for the evolution of two initially identical x values, here the chaotic regime exists for all q1 ≠ q2 values.

Mathematical models application for mapping soils spatial distribution on the example of the farm from the North of Udmurt Republic of Russia

NASA Astrophysics Data System (ADS)

Dokuchaev, P. M.; Meshalkina, J. L.; Yaroslavtsev, A. M.

2018-01-01

Comparative analysis of soils geospatial modeling using multinomial logistic regression, decision trees, random forest, regression trees and support vector machines algorithms was conducted. The visual interpretation of the digital maps obtained and their comparison with the existing map, as well as the quantitative assessment of the individual soil groups detection overall accuracy and of the models kappa showed that multiple logistic regression, support vector method, and random forest models application with spatial prediction of the conditional soil groups distribution can be reliably used for mapping of the study area. It has shown the most accurate detection for sod-podzolics soils (Phaeozems Albic) lightly eroded and moderately eroded soils. In second place, according to the mean overall accuracy of the prediction, there are sod-podzolics soils - non-eroded and warp one, as well as sod-gley soils (Umbrisols Gleyic) and alluvial soils (Fluvisols Dystric, Umbric). Heavy eroded sod-podzolics and gray forest soils (Phaeozems Albic) were detected by methods of automatic classification worst of all.

Chaos in War: Is It Present and What Does It Mean?

DTIC Science & Technology

1994-06-01

the Poincare map. The results of this work indicated that chaos is, in fact, present in warfare. The implications of this result include IV...confirmed the validity of our software and provided us with the Poincare maps and the power spectrum. LTC Pentland of the School for Advanced...nearly identical initial conditions for the logistics equation 20 8 . Poincare map 22 9. Phase-space trajectories of chaotic systems 23 10

Ordering process in the diffusively coupled logistic lattice

NASA Astrophysics Data System (ADS)

Conrado, Claudine V.; Bohr, Tomas

1991-08-01

We study the ordering process in a lattice of diffusively coupled logistic maps for increasing lattice size. Within a window of parameters, the system goes into a weakly chaotic state with long range "antiferromagnetic" order. This happens for arbitrary lattice size L and the ordering time behaves as t ~ L2 as we would expect from a picture of diffusing defects.

Using multiple logistic regression and GIS technology to predict landslide hazard in northeast Kansas, USA

USGS Publications Warehouse

Ohlmacher, G.C.; Davis, J.C.

2003-01-01

Landslides in the hilly terrain along the Kansas and Missouri rivers in northeastern Kansas have caused millions of dollars in property damage during the last decade. To address this problem, a statistical method called multiple logistic regression has been used to create a landslide-hazard map for Atchison, Kansas, and surrounding areas. Data included digitized geology, slopes, and landslides, manipulated using ArcView GIS. Logistic regression relates predictor variables to the occurrence or nonoccurrence of landslides within geographic cells and uses the relationship to produce a map showing the probability of future landslides, given local slopes and geologic units. Results indicated that slope is the most important variable for estimating landslide hazard in the study area. Geologic units consisting mostly of shale, siltstone, and sandstone were most susceptible to landslides. Soil type and aspect ratio were considered but excluded from the final analysis because these variables did not significantly add to the predictive power of the logistic regression. Soil types were highly correlated with the geologic units, and no significant relationships existed between landslides and slope aspect. ?? 2003 Elsevier Science B.V. All rights reserved.

Modelling the spatial distribution of Fasciola hepatica in bovines using decision tree, logistic regression and GIS query approaches for Brazil.

PubMed

Bennema, S C; Molento, M B; Scholte, R G; Carvalho, O S; Pritsch, I

2017-11-01

Fascioliasis is a condition caused by the trematode Fasciola hepatica. In this paper, the spatial distribution of F. hepatica in bovines in Brazil was modelled using a decision tree approach and a logistic regression, combined with a geographic information system (GIS) query. In the decision tree and the logistic model, isothermality had the strongest influence on disease prevalence. Also, the 50-year average precipitation in the warmest quarter of the year was included as a risk factor, having a negative influence on the parasite prevalence. The risk maps developed using both techniques, showed a predicted higher prevalence mainly in the South of Brazil. The prediction performance seemed to be high, but both techniques failed to reach a high accuracy in predicting the medium and high prevalence classes to the entire country. The GIS query map, based on the range of isothermality, minimum temperature of coldest month, precipitation of warmest quarter of the year, altitude and the average dailyland surface temperature, showed a possibility of presence of F. hepatica in a very large area. The risk maps produced using these methods can be used to focus activities of animal and public health programmes, even on non-evaluated F. hepatica areas.

Theater Logistics Management: A Case for a Joint Distribution Solution

DTIC Science & Technology

2008-03-15

Multinational (JIIM) operations necessitate creating joint-multinational-based distribution management centers which effectively manage materiel...in the world. However, as the operation continued, the inherent weakness of the intra-theater logistical distribution management link became clear...compounded the distribution management problem. The common thread between each of the noted GAO failures is the lack of a defined joint, theater

INTRODUCTION OF THE VITELLOGENIN GENE IN EARLY LIFE STAGE FATHEAD MINNOWS AS AN EFFECTIVE EXPOSURE INDICATOR FOR ESTROGENIC COMPOUNDS

EPA Science Inventory

Vitellogenin (Vg) gene expression in adult male fathead minnows (FHM) has previously been used successfully to detect exposures to estrogenic compounds in aquatic systems; however, sample volume(s)required for >24h exposure durations and the logistics of sampling pose some limita...

A novel image encryption algorithm based on chaos maps with Markov properties

NASA Astrophysics Data System (ADS)

Liu, Quan; Li, Pei-yue; Zhang, Ming-chao; Sui, Yong-xin; Yang, Huai-jiang

2015-02-01

In order to construct high complexity, secure and low cost image encryption algorithm, a class of chaos with Markov properties was researched and such algorithm was also proposed. The kind of chaos has higher complexity than the Logistic map and Tent map, which keeps the uniformity and low autocorrelation. An improved couple map lattice based on the chaos with Markov properties is also employed to cover the phase space of the chaos and enlarge the key space, which has better performance than the original one. A novel image encryption algorithm is constructed on the new couple map lattice, which is used as a key stream generator. A true random number is used to disturb the key which can dynamically change the permutation matrix and the key stream. From the experiments, it is known that the key stream can pass SP800-22 test. The novel image encryption can resist CPA and CCA attack and differential attack. The algorithm is sensitive to the initial key and can change the distribution the pixel values of the image. The correlation of the adjacent pixels can also be eliminated. When compared with the algorithm based on Logistic map, it has higher complexity and better uniformity, which is nearer to the true random number. It is also efficient to realize which showed its value in common use.

Highly dissipative Hénon map behavior in the four-level model of the CO 2 laser with modulated losses

NASA Astrophysics Data System (ADS)

Pando L., C. L.; Acosta, G. A. Luna; Meucci, R.; Ciofini, M.

1995-02-01

We show that the four-level model for the CO 2 laser with modulated losses behaves in a qualitatively similar way as the highly dissipative Hénon map. The ubiquity of elements of the universal sequence, their related symbolic dynamics, and the presence of reverse bifurcations of chaotic bands in the model are reminiscent of the logistic map which is the limit of the Hénon map when the Jacobian equals zero. The coexistence of attractors, its dynamics related to contraction of volumes in phase space and the associated return maps can be correlated with those of the highly dissipative Hénon map.

Comparing Forest/Nonforest Classifications of Landsat TM Imagery for Stratifying FIA Estimates of Forest Land Area

Treesearch

Mark D. Nelson; Ronald E. McRoberts; Greg C. Liknes; Geoffrey R. Holden

2005-01-01

Landsat Thematic Mapper (TM) satellite imagery and Forest Inventory and Analysis (FIA) plot data were used to construct forest/nonforest maps of Mapping Zone 41, National Land Cover Dataset 2000 (NLCD 2000). Stratification approaches resulting from Maximum Likelihood, Fuzzy Convolution, Logistic Regression, and k-Nearest Neighbors classification/prediction methods were...

The effects of forest fragmentation on forest stand attributes

Treesearch

Ronald E. McRoberts; Greg C. Liknes

2002-01-01

For two study areas in Minnesota, USA, one heavily forested and one sparsely forested, maps of predicted proportion forest area were created using Landsat Thematic Mapper imagery, forest inventory plot data, and a logistic regression model. The maps were used to estimate quantitative indices of forest fragmentation. Correlations between the values of the indices and...

From Determinism and Probability to Chaos: Chaotic Evolution towards Philosophy and Methodology of Chaotic Optimization

PubMed Central

2015-01-01

We present and discuss philosophy and methodology of chaotic evolution that is theoretically supported by chaos theory. We introduce four chaotic systems, that is, logistic map, tent map, Gaussian map, and Hénon map, in a well-designed chaotic evolution algorithm framework to implement several chaotic evolution (CE) algorithms. By comparing our previous proposed CE algorithm with logistic map and two canonical differential evolution (DE) algorithms, we analyse and discuss optimization performance of CE algorithm. An investigation on the relationship between optimization capability of CE algorithm and distribution characteristic of chaotic system is conducted and analysed. From evaluation result, we find that distribution of chaotic system is an essential factor to influence optimization performance of CE algorithm. We propose a new interactive EC (IEC) algorithm, interactive chaotic evolution (ICE) that replaces fitness function with a real human in CE algorithm framework. There is a paired comparison-based mechanism behind CE search scheme in nature. A simulation experimental evaluation is conducted with a pseudo-IEC user to evaluate our proposed ICE algorithm. The evaluation result indicates that ICE algorithm can obtain a significant better performance than or the same performance as interactive DE. Some open topics on CE, ICE, fusion of these optimization techniques, algorithmic notation, and others are presented and discussed. PMID:25879067

From determinism and probability to chaos: chaotic evolution towards philosophy and methodology of chaotic optimization.

PubMed

Pei, Yan

2015-01-01

We present and discuss philosophy and methodology of chaotic evolution that is theoretically supported by chaos theory. We introduce four chaotic systems, that is, logistic map, tent map, Gaussian map, and Hénon map, in a well-designed chaotic evolution algorithm framework to implement several chaotic evolution (CE) algorithms. By comparing our previous proposed CE algorithm with logistic map and two canonical differential evolution (DE) algorithms, we analyse and discuss optimization performance of CE algorithm. An investigation on the relationship between optimization capability of CE algorithm and distribution characteristic of chaotic system is conducted and analysed. From evaluation result, we find that distribution of chaotic system is an essential factor to influence optimization performance of CE algorithm. We propose a new interactive EC (IEC) algorithm, interactive chaotic evolution (ICE) that replaces fitness function with a real human in CE algorithm framework. There is a paired comparison-based mechanism behind CE search scheme in nature. A simulation experimental evaluation is conducted with a pseudo-IEC user to evaluate our proposed ICE algorithm. The evaluation result indicates that ICE algorithm can obtain a significant better performance than or the same performance as interactive DE. Some open topics on CE, ICE, fusion of these optimization techniques, algorithmic notation, and others are presented and discussed.

MAPPING IN MICRONESIA.

USGS Publications Warehouse

Olsen, Randle W.; Swinnerton, J.R.

1984-01-01

The U. S. Geological Survey has recently completed a series of new topographic maps of Micronesia in cooperation with the Trust Territory of the Pacific Islands, the Federal agency administering the islands. Monocolor 1:10,000-scale manuscripts were compiled, from which 1:25,000-scale metric quadrangles were derived with symbology consistent with USGS quadrangle mapping. The publication of these new maps coincides with the impending political changes resulting from self-determination referendums held in Micronesia. Local sources have helped considerably with field logistics and resolution of geographic name controversies. Technical aspects of this project included development of tropical feature symbology, location of cadastral subdivisions and associated boundaries and mapping of many outlying coral reefs.

Mapping permafrost in the boreal forest with Thematic Mapper satellite data

NASA Technical Reports Server (NTRS)

Morrissey, L. A.; Strong, L. L.; Card, D. H.

1986-01-01

A geographic data base incorporating Landsat TM data was used to develop and evaluate logistic discriminant functions for predicting the distribution of permafrost in a boreal forest watershed. The data base included both satellite-derived information and ancillary map data. Five permafrost classifications were developed from a stratified random sample of the data base and evaluated by comparison with a photo-interpreted permafrost map using contingency table analysis and soil temperatures recorded at sites within the watershed. A classification using a TM thermal band and a TM-derived vegetation map as independent variables yielded the highest mapping accuracy for all permafrost categories.

An investigation of the convergence to the stationary state in the Hassell mapping

NASA Astrophysics Data System (ADS)

de Mendonça, Hans M. J.; Leonel, Edson D.; de Oliveira, Juliano A.

2017-01-01

We investigate the convergence to the fixed point and near it in a transcritical bifurcation observed in a Hassell mapping. We considered a phenomenological description which was reinforced by a theoretical description. At the bifurcation, we confirm the convergence for the fixed point is characterized by a homogeneous function with three exponents. Near the bifurcation the decay to the fixed point is exponential with a relaxation time given by a power law. Although the expression of the mapping is different from the traditional logistic mapping, at the bifurcation and near it, the local dynamics is essentially the same for either mappings.

Digital Sound Encryption with Logistic Map and Number Theoretic Transform

NASA Astrophysics Data System (ADS)

Satria, Yudi; Gabe Rizky, P. H.; Suryadi, MT

2018-03-01

Digital sound security has limits on encrypting in Frequency Domain. Number Theoretic Transform based on field (GF 2521 – 1) improve and solve that problem. The algorithm for this sound encryption is based on combination of Chaos function and Number Theoretic Transform. The Chaos function that used in this paper is Logistic Map. The trials and the simulations are conducted by using 5 different digital sound files data tester in Wave File Extension Format and simulated at least 100 times each. The key stream resulted is random with verified by 15 NIST’s randomness test. The key space formed is very big which more than 10469. The processing speed of algorithm for encryption is slightly affected by Number Theoretic Transform.

4D-Fingerprint Categorical QSAR Models for Skin Sensitization Based on Classification Local Lymph Node Assay Measures

PubMed Central

Li, Yi; Tseng, Yufeng J.; Pan, Dahua; Liu, Jianzhong; Kern, Petra S.; Gerberick, G. Frank; Hopfinger, Anton J.

2008-01-01

Currently, the only validated methods to identify skin sensitization effects are in vivo models, such as the Local Lymph Node Assay (LLNA) and guinea pig studies. There is a tremendous need, in particular due to novel legislation, to develop animal alternatives, eg. Quantitative Structure-Activity Relationship (QSAR) models. Here, QSAR models for skin sensitization using LLNA data have been constructed. The descriptors used to generate these models are derived from the 4D-molecular similarity paradigm and are referred to as universal 4D-fingerprints. A training set of 132 structurally diverse compounds and a test set of 15 structurally diverse compounds were used in this study. The statistical methodologies used to build the models are logistic regression (LR), and partial least square coupled logistic regression (PLS-LR), which prove to be effective tools for studying skin sensitization measures expressed in the two categorical terms of sensitizer and non-sensitizer. QSAR models with low values of the Hosmer-Lemeshow goodness-of-fit statistic, χHL2, are significant and predictive. For the training set, the cross-validated prediction accuracy of the logistic regression models ranges from 77.3% to 78.0%, while that of PLS-logistic regression models ranges from 87.1% to 89.4%. For the test set, the prediction accuracy of logistic regression models ranges from 80.0%-86.7%, while that of PLS-logistic regression models ranges from 73.3%-80.0%. The QSAR models are made up of 4D-fingerprints related to aromatic atoms, hydrogen bond acceptors and negatively partially charged atoms. PMID:17226934

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

PubMed

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

2015-09-10

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

A fast image encryption algorithm based on only blocks in cipher text

NASA Astrophysics Data System (ADS)

Wang, Xing-Yuan; Wang, Qian

2014-03-01

In this paper, a fast image encryption algorithm is proposed, in which the shuffling and diffusion is performed simultaneously. The cipher-text image is divided into blocks and each block has k ×k pixels, while the pixels of the plain-text are scanned one by one. Four logistic maps are used to generate the encryption key stream and the new place in the cipher image of plain image pixels, including the row and column of the block which the pixel belongs to and the place where the pixel would be placed in the block. After encrypting each pixel, the initial conditions of logistic maps would be changed according to the encrypted pixel's value; after encrypting each row of plain image, the initial condition would also be changed by the skew tent map. At last, it is illustrated that this algorithm has a faster speed, big key space, and better properties in withstanding differential attacks, statistical analysis, known plaintext, and chosen plaintext attacks.

Antimicrobial Activity of Aroma Compounds against Saccharomyces cerevisiae and Improvement of Microbiological Stability of Soft Drinks as Assessed by Logistic Regression▿

PubMed Central

Belletti, Nicoletta; Kamdem, Sylvain Sado; Patrignani, Francesca; Lanciotti, Rosalba; Covelli, Alessandro; Gardini, Fausto

2007-01-01

The combined effects of a mild heat treatment (55°C) and the presence of three aroma compounds [citron essential oil, citral, and (E)-2-hexenal] on the spoilage of noncarbonated beverages inoculated with different amounts of a Saccharomyces cerevisiae strain were evaluated. The results, expressed as growth/no growth, were elaborated using a logistic regression in order to assess the probability of beverage spoilage as a function of thermal treatment length, concentration of flavoring agents, and yeast inoculum. The logit models obtained for the three substances were extremely precise. The thermal treatment alone, even if prolonged for 20 min, was not able to prevent yeast growth. However, the presence of increasing concentrations of aroma compounds improved the stability of the products. The inhibiting effect of the compounds was enhanced by a prolonged thermal treatment. In fact, it influenced the vapor pressure of the molecules, which can easily interact within microbial membranes when they are in gaseous form. (E)-2-Hexenal showed a threshold level, related to initial inoculum and thermal treatment length, over which yeast growth was rapidly inhibited. Concentrations over 100 ppm of citral and thermal treatment longer than 16 min allowed a 90% probability of stability for bottles inoculated with 105 CFU/bottle. Citron gave the most interesting responses: beverages with 500 ppm of essential oil needed only 3 min of treatment to prevent yeast growth. In this framework, the logistic regression proved to be an important tool to study alternative hurdle strategies for the stabilization of noncarbonated beverages. PMID:17616627

Evaluation of phenoxybenzamine in the CFA model of pain following gene expression studies and connectivity mapping.

PubMed

Chang, Meiping; Smith, Sarah; Thorpe, Andrew; Barratt, Michael J; Karim, Farzana

2010-09-16

We have previously used the rat 4 day Complete Freund's Adjuvant (CFA) model to screen compounds with potential to reduce osteoarthritic pain. The aim of this study was to identify genes altered in this model of osteoarthritic pain and use this information to infer analgesic potential of compounds based on their own gene expression profiles using the Connectivity Map approach. Using microarrays, we identified differentially expressed genes in L4 and L5 dorsal root ganglia (DRG) from rats that had received intraplantar CFA for 4 days compared to matched, untreated control animals. Analysis of these data indicated that the two groups were distinguishable by differences in genes important in immune responses, nerve growth and regeneration. This list of differentially expressed genes defined a "CFA signature". We used the Connectivity Map approach to identify pharmacologic agents in the Broad Institute Build02 database that had gene expression signatures that were inversely related ('negatively connected') with our CFA signature. To test the predictive nature of the Connectivity Map methodology, we tested phenoxybenzamine (an alpha adrenergic receptor antagonist) - one of the most negatively connected compounds identified in this database - for analgesic activity in the CFA model. Our results indicate that at 10 mg/kg, phenoxybenzamine demonstrated analgesia comparable to that of Naproxen in this model. Evaluation of phenoxybenzamine-induced analgesia in the current study lends support to the utility of the Connectivity Map approach for identifying compounds with analgesic properties in the CFA model.

Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set.

PubMed

Klimenko, Kyrylo; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

2016-08-22

Curation, standardization and data fusion of the antiviral information present in the ChEMBL public database led to the definition of a robust data set, providing an association of antiviral compounds to seven broadly defined antiviral activity classes. Generative topographic mapping (GTM) subjected to evolutionary tuning was then used to produce maps of the antiviral chemical space, providing an optimal separation of compound families associated with the different antiviral classes. The ability to pinpoint the specific spots occupied (responsibility patterns) on a map by various classes of antiviral compounds opened the way for a GTM-supported search for privileged structural motifs, typical for each antiviral class. The privileged locations of antiviral classes were analyzed in order to highlight underlying privileged common structural motifs. Unlike in classical medicinal chemistry, where privileged structures are, almost always, predefined scaffolds, privileged structural motif detection based on GTM responsibility patterns has the decisive advantage of being able to automatically capture the nature ("resolution detail"-scaffold, detailed substructure, pharmacophore pattern, etc.) of the relevant structural motifs. Responsibility patterns were found to represent underlying structural motifs of various natures-from very fuzzy (groups of various "interchangeable" similar scaffolds), to the classical scenario in medicinal chemistry (underlying motif actually being the scaffold), to very precisely defined motifs (specifically substituted scaffolds).

From bird's eye views to molecular communities: two-layered visualization of structure-activity relationships in large compound data sets

NASA Astrophysics Data System (ADS)

Kayastha, Shilva; Kunimoto, Ryo; Horvath, Dragos; Varnek, Alexandre; Bajorath, Jürgen

2017-11-01

The analysis of structure-activity relationships (SARs) becomes rather challenging when large and heterogeneous compound data sets are studied. In such cases, many different compounds and their activities need to be compared, which quickly goes beyond the capacity of subjective assessments. For a comprehensive large-scale exploration of SARs, computational analysis and visualization methods are required. Herein, we introduce a two-layered SAR visualization scheme specifically designed for increasingly large compound data sets. The approach combines a new compound pair-based variant of generative topographic mapping (GTM), a machine learning approach for nonlinear mapping, with chemical space networks (CSNs). The GTM component provides a global view of the activity landscapes of large compound data sets, in which informative local SAR environments are identified, augmented by a numerical SAR scoring scheme. Prioritized local SAR regions are then projected into CSNs that resolve these regions at the level of individual compounds and their relationships. Analysis of CSNs makes it possible to distinguish between regions having different SAR characteristics and select compound subsets that are rich in SAR information.

Assessing the Effects of Forest Fragmentation Using Satellite Imagery and Forest Inventory Data

Treesearch

Ronald E. McRoberts; Greg C. Liknes

2005-01-01

For a study area in the North Central region of the USA, maps of predicted proportion forest area were created using Landsat Thematic Mapper imagery, forest inventory plot data, and a logistic regression model. The maps were used to estimate quantitative indices of forest fragmentation. Correlations between the values of the indices and forest attributes observed on...

Characterization of fatty acid amide hydrolase activity by a fluorescence-based assay.

PubMed

Dato, Florian M; Maaßen, Andreas; Goldfuß, Bernd; Pietsch, Markus

2018-04-01

Fatty acid amide hydrolase (FAAH) is involved in many human diseases, particularly cancer, pain and inflammation as well as neurological, metabolic and cardiovascular disorders. Therefore, FAAH is an attractive target for the development of low-molecular-weight inhibitors as therapeutics, which requires robust assays that can be used for high-throughput screening (HTS) of compound libraries. Here, we report the development of a fluorometric assay based on FAAH's ability to effectively hydrolyze medium-chain fatty acid amides, introducing N-decanoyl-substituted 5-amino-2-methoxypyridine (D-MAP) as new amide substrate. D-MAP is cleaved by FAAH with an 8-fold larger specificity constant than the previously reported octanoyl-analog Oc-MAP (V max /K m of 1.09 and 0.134 mL min -1 mg -1 , respectively), with both MAP derivatives possessing superior substrate properties and much increased aqueous solubility compared to the respective p-nitroaniline compounds D-pNA and Oc-pNA. The new assay with D-MAP as substrate is highly sensitive using a lower enzyme concentration (1 μg mL -1 ) than literature-reported fluorimetric FAAH assays. In addition, D-MAP was validated in comparison to the substrate Oc-MAP for the characterization of FAAH inhibitors by means of the reference compounds URB597 and TC-F2 and was shown to be highly suitable for HTS in both kinetic and endpoint assays (Z' factors of 0.81 and 0.78, respectively). Copyright © 2018 Elsevier Inc. All rights reserved.

Sequential Inverse Problems Bayesian Principles and the Logistic Map Example

NASA Astrophysics Data System (ADS)

Duan, Lian; Farmer, Chris L.; Moroz, Irene M.

2010-09-01

Bayesian statistics provides a general framework for solving inverse problems, but is not without interpretation and implementation problems. This paper discusses difficulties arising from the fact that forward models are always in error to some extent. Using a simple example based on the one-dimensional logistic map, we argue that, when implementation problems are minimal, the Bayesian framework is quite adequate. In this paper the Bayesian Filter is shown to be able to recover excellent state estimates in the perfect model scenario (PMS) and to distinguish the PMS from the imperfect model scenario (IMS). Through a quantitative comparison of the way in which the observations are assimilated in both the PMS and the IMS scenarios, we suggest that one can, sometimes, measure the degree of imperfection.

Kohonen and counterpropagation neural networks applied for mapping and interpretation of IR spectra.

PubMed

Novic, Marjana

2008-01-01

The principles of learning strategy of Kohonen and counterpropagation neural networks are introduced. The advantages of unsupervised learning are discussed. The self-organizing maps produced in both methods are suitable for a wide range of applications. Here, we present an example of Kohonen and counterpropagation neural networks used for mapping, interpretation, and simulation of infrared (IR) spectra. The artificial neural network models were trained for prediction of structural fragments of an unknown compound from its infrared spectrum. The training set contained over 3,200 IR spectra of diverse compounds of known chemical structure. The structure-spectra relationship was encompassed by the counterpropagation neural network, which assigned structural fragments to individual compounds within certain probability limits, assessed from the predictions of test compounds. The counterpropagation neural network model for prediction of fragments of chemical structure is reversible, which means that, for a given structural domain, limited to the training data set in the study, it can be used to simulate the IR spectrum of a chemical defined with a set of structural fragments.

A comparison between univariate probabilistic and multivariate (logistic regression) methods for landslide susceptibility analysis: the example of the Febbraro valley (Northern Alps, Italy)

NASA Astrophysics Data System (ADS)

Rossi, M.; Apuani, T.; Felletti, F.

2009-04-01

The aim of this paper is to compare the results of two statistical methods for landslide susceptibility analysis: 1) univariate probabilistic method based on landslide susceptibility index, 2) multivariate method (logistic regression). The study area is the Febbraro valley, located in the central Italian Alps, where different types of metamorphic rocks croup out. On the eastern part of the studied basin a quaternary cover represented by colluvial and secondarily, by glacial deposits, is dominant. In this study 110 earth flows, mainly located toward NE portion of the catchment, were analyzed. They involve only the colluvial deposits and their extension mainly ranges from 36 to 3173 m2. Both statistical methods require to establish a spatial database, in which each landslide is described by several parameters that can be assigned using a main scarp central point of landslide. The spatial database is constructed using a Geographical Information System (GIS). Each landslide is described by several parameters corresponding to the value of main scarp central point of the landslide. Based on bibliographic review a total of 15 predisposing factors were utilized. The width of the intervals, in which the maps of the predisposing factors have to be reclassified, has been defined assuming constant intervals to: elevation (100 m), slope (5 °), solar radiation (0.1 MJ/cm2/year), profile curvature (1.2 1/m), tangential curvature (2.2 1/m), drainage density (0.5), lineament density (0.00126). For the other parameters have been used the results of the probability-probability plots analysis and the statistical indexes of landslides site. In particular slope length (0 ÷ 2, 2 ÷ 5, 5 ÷ 10, 10 ÷ 20, 20 ÷ 35, 35 ÷ 260), accumulation flow (0 ÷ 1, 1 ÷ 2, 2 ÷ 5, 5 ÷ 12, 12 ÷ 60, 60 ÷27265), Topographic Wetness Index 0 ÷ 0.74, 0.74 ÷ 1.94, 1.94 ÷ 2.62, 2.62 ÷ 3.48, 3.48 ÷ 6,00, 6.00 ÷ 9.44), Stream Power Index (0 ÷ 0.64, 0.64 ÷ 1.28, 1.28 ÷ 1.81, 1.81 ÷ 4.20, 4.20 ÷ 9.40). Geological map and land use map were also used, considering geological and land use properties as categorical variables. Appling the univariate probabilistic method the Landslide Susceptibility Index (LSI) is defined as the sum of the ratio Ra/Rb calculated for each predisposing factor, where Ra is the ratio between number of pixel of class and the total number of pixel of the study area, and Rb is the ratio between number of landslides respect to the pixel number of the interval area. From the analysis of the Ra/Rb ratio the relationship between landslide occurrence and predisposing factors were defined. Then the equation of LSI was used in GIS to trace the landslide susceptibility maps. The multivariate method for landslide susceptibility analysis, based on logistic regression, was performed starting from the density maps of the predisposing factors, calculated with the intervals defined above using the equation Rb/Rbtot, where Rbtot is a sum of all Rb values. Using stepwise forward algorithms the logistic regression was performed in two successive steps: first a univariate logistic regression is used to choose the most significant predisposing factors, then the multivariate logistic regression can be performed. The univariate regression highlighted the importance of the following factors: elevation, accumulation flow, drainage density, lineament density, geology and land use. When the multivariate regression was applied the number of controlling factors was reduced neglecting the geological properties. The resulting final susceptibility equation is: P = 1 / (1 + exp-(6.46-22.34*elevation-5.33*accumulation flow-7.99* drainage density-4.47*lineament density-17.31*land use)) and using this equation the susceptibility maps were obtained. To easy compare the results of the two methodologies, the susceptibility maps were reclassified in five susceptibility intervals (very high, high, moderate, low and very low) using natural breaks. Then the maps were validated using two cumulative distribution curves, one related to the landslides (number of landslides in each susceptibility class) and one to the basin (number of pixel covering each class). Comparing the curves for each method, it results that the two approaches (univariate and multivariate) are appropriate, providing acceptable results. In both maps the distribution of high susceptibility condition is mainly localized on the left slope of the catchment in agreement with the field evidences. The comparison between the methods was obtained by subtraction of the two maps. This operation shows that about 40% of the basin is classified by the same class of susceptibility. In general the univariate probabilistic method tends to overestimate the areal extension of the high susceptibility class with respect to the maps obtained by the logistic regression method.

Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.

PubMed

Sidorov, Pavel; Gaspar, Helena; Marcou, Gilles; Varnek, Alexandre; Horvath, Dragos

2015-12-01

Intuitive, visual rendering--mapping--of high-dimensional chemical spaces (CS), is an important topic in chemoinformatics. Such maps were so far dedicated to specific compound collections--either limited series of known activities, or large, even exhaustive enumerations of molecules, but without associated property data. Typically, they were challenged to answer some classification problem with respect to those same molecules, admired for their aesthetical virtues and then forgotten--because they were set-specific constructs. This work wishes to address the question whether a general, compound set-independent map can be generated, and the claim of "universality" quantitatively justified, with respect to all the structure-activity information available so far--or, more realistically, an exploitable but significant fraction thereof. The "universal" CS map is expected to project molecules from the initial CS into a lower-dimensional space that is neighborhood behavior-compliant with respect to a large panel of ligand properties. Such map should be able to discriminate actives from inactives, or even support quantitative neighborhood-based, parameter-free property prediction (regression) models, for a wide panel of targets and target families. It should be polypharmacologically competent, without requiring any target-specific parameter fitting. This work describes an evolutionary growth procedure of such maps, based on generative topographic mapping, followed by the validation of their polypharmacological competence. Validation was achieved with respect to a maximum of exploitable structure-activity information, covering all of Homo sapiens proteins of the ChEMBL database, antiparasitic and antiviral data, etc. Five evolved maps satisfactorily solved hundreds of activity-based ligand classification challenges for targets, and even in vivo properties independent from training data. They also stood chemogenomics-related challenges, as cumulated responsibility vectors obtained by mapping of target-specific ligand collections were shown to represent validated target descriptors, complying with currently accepted target classification in biology. Therefore, they represent, in our opinion, a robust and well documented answer to the key question "What is a good CS map?"

Relationship between chemical structure and the occupational asthma hazard of low molecular weight organic compounds

PubMed Central

Jarvis, J; Seed, M; Elton, R; Sawyer, L; Agius, R

2005-01-01

Aims: To investigate quantitatively, relationships between chemical structure and reported occupational asthma hazard for low molecular weight (LMW) organic compounds; to develop and validate a model linking asthma hazard with chemical substructure; and to generate mechanistic hypotheses that might explain the relationships. Methods: A learning dataset used 78 LMW chemical asthmagens reported in the literature before 1995, and 301 control compounds with recognised occupational exposures and hazards other than respiratory sensitisation. The chemical structures of the asthmagens and control compounds were characterised by the presence of chemical substructure fragments. Odds ratios were calculated for these fragments to determine which were associated with a likelihood of being reported as an occupational asthmagen. Logistic regression modelling was used to identify the independent contribution of these substructures. A post-1995 set of 21 asthmagens and 77 controls were selected to externally validate the model. Results: Nitrogen or oxygen containing functional groups such as isocyanate, amine, acid anhydride, and carbonyl were associated with an occupational asthma hazard, particularly when the functional group was present twice or more in the same molecule. A logistic regression model using only statistically significant independent variables for occupational asthma hazard correctly assigned 90% of the model development set. The external validation showed a sensitivity of 86% and specificity of 99%. Conclusions: Although a wide variety of chemical structures are associated with occupational asthma, bifunctional reactivity is strongly associated with occupational asthma hazard across a range of chemical substructures. This suggests that chemical cross-linking is an important molecular mechanism leading to the development of occupational asthma. The logistic regression model is freely available on the internet and may offer a useful but inexpensive adjunct to the prediction of occupational asthma hazard. PMID:15778257

Rainfall induced landslide susceptibility mapping using weight-of-evidence, linear and quadratic discriminant and logistic model tree method

NASA Astrophysics Data System (ADS)

Hong, H.; Zhu, A. X.

2017-12-01

Climate change is a common phenomenon and it is very serious all over the world. The intensification of rainfall extremes with climate change is of key importance to society and then it may induce a large impact through landslides. This paper presents GIS-based new ensemble data mining techniques that weight-of-evidence, logistic model tree, linear and quadratic discriminant for landslide spatial modelling. This research was applied in Anfu County, which is a landslide-prone area in Jiangxi Province, China. According to a literature review and research the study area, we select the landslide influencing factor and their maps were digitized in a GIS environment. These landslide influencing factors are the altitude, plan curvature, profile curvature, slope degree, slope aspect, topographic wetness index (TWI), Stream Power Index (SPI), Topographic Wetness Index (SPI), distance to faults, distance to rivers, distance to roads, soil, lithology, normalized difference vegetation index and land use. According to historical information of individual landslide events, interpretation of the aerial photographs, and field surveys supported by the government of Jiangxi Meteorological Bureau of China, 367 landslides were identified in the study area. The landslide locations were divided into two subsets, namely, training and validating (70/30), based on a random selection scheme. In this research, Pearson's correlation was used for the evaluation of the relationship between the landslides and influencing factors. In the next step, three data mining techniques combined with the weight-of-evidence, logistic model tree, linear and quadratic discriminant, were used for the landslide spatial modelling and its zonation. Finally, the landslide susceptibility maps produced by the mentioned models were evaluated by the ROC curve. The results showed that the area under the curve (AUC) of all of the models was > 0.80. At the same time, the highest AUC value was for the linear and quadratic discriminant model (0.864), followed by logistic model tree (0.832), and weight-of-evidence (0.819). In general, the landslide maps can be applied for land use planning and management in the Anfu area.

Geographic information systems and logistic regression for high-resolution malaria risk mapping in a rural settlement of the southern Brazilian Amazon.

PubMed

de Oliveira, Elaine Cristina; dos Santos, Emerson Soares; Zeilhofer, Peter; Souza-Santos, Reinaldo; Atanaka-Santos, Marina

2013-11-15

In Brazil, 99% of the cases of malaria are concentrated in the Amazon region, with high level of transmission. The objectives of the study were to use geographic information systems (GIS) analysis and logistic regression as a tool to identify and analyse the relative likelihood and its socio-environmental determinants of malaria infection in the Vale do Amanhecer rural settlement, Brazil. A GIS database of georeferenced malaria cases, recorded in 2005, and multiple explanatory data layers was built, based on a multispectral Landsat 5 TM image, digital map of the settlement blocks and a SRTM digital elevation model. Satellite imagery was used to map the spatial patterns of land use and cover (LUC) and to derive spectral indices of vegetation density (NDVI) and soil/vegetation humidity (VSHI). An Euclidian distance operator was applied to measure proximity of domiciles to potential mosquito breeding habitats and gold mining areas. The malaria risk model was generated by multiple logistic regression, in which environmental factors were considered as independent variables and the number of cases, binarized by a threshold value was the dependent variable. Out of a total of 336 cases of malaria, 133 positive slides were from inhabitants at Road 08, which corresponds to 37.60% of the notifications. The southern region of the settlement presented 276 cases and a greater number of domiciles in which more than ten cases/home were notified. From these, 102 (30.36%) cases were caused by Plasmodium falciparum and 174 (51.79%) cases by Plasmodium vivax. Malaria risk is the highest in the south of the settlement, associated with proximity to gold mining sites, intense land use, high levels of soil/vegetation humidity and low vegetation density. Mid-resolution, remote sensing data and GIS-derived distance measures can be successfully combined with digital maps of the housing location of (non-) infected inhabitants to predict relative likelihood of disease infection through the analysis by logistic regression. Obtained findings on the relation between malaria cases and environmental factors should be applied in the future for land use planning in rural settlements in the Southern Amazon to minimize risks of disease transmission.

Discrete dynamical laser equation for the critical onset of bistability, entanglement and disappearance

NASA Astrophysics Data System (ADS)

Abdul, M.; Farooq, U.; Akbar, Jehan; Saif, F.

2018-06-01

We transform the semi-classical laser equation for single mode homogeneously broadened lasers to a one-dimensional nonlinear map by using the discrete dynamical approach. The obtained mapping, referred to as laser logistic mapping (LLM), characteristically exhibits convergent, cyclic and chaotic behavior depending on the control parameter. Thus, the so obtained LLM explains stable, bistable, multi-stable, and chaotic solutions for output field intensity. The onset of bistability takes place at a critical value of the effective gain coefficient. The obtained analytical results are confirmed through numerical calculations.

Exact period-four solutions of a family of n-dimensional quadratic maps via harmonic balance and Gröbner bases.

PubMed

D'Amico, María Belén; Calandrini, Guillermo L

2015-11-01

Analytical solutions of the period-four orbits exhibited by a classical family of n-dimensional quadratic maps are presented. Exact expressions are obtained by applying harmonic balance and Gröbner bases to a single-input single-output representation of the system. A detailed study of a generalized scalar quadratic map and a well-known delayed logistic model is included for illustration. In the former example, conditions for the existence of bistability phenomenon are also introduced.

Exact period-four solutions of a family of n-dimensional quadratic maps via harmonic balance and Gröbner bases

NASA Astrophysics Data System (ADS)

D'Amico, María Belén; Calandrini, Guillermo L.

2015-11-01

Analytical solutions of the period-four orbits exhibited by a classical family of n-dimensional quadratic maps are presented. Exact expressions are obtained by applying harmonic balance and Gröbner bases to a single-input single-output representation of the system. A detailed study of a generalized scalar quadratic map and a well-known delayed logistic model is included for illustration. In the former example, conditions for the existence of bistability phenomenon are also introduced.

A Double Perturbation Method for Reducing Dynamical Degradation of the Digital Baker Map

NASA Astrophysics Data System (ADS)

Liu, Lingfeng; Lin, Jun; Miao, Suoxia; Liu, Bocheng

2017-06-01

The digital Baker map is widely used in different kinds of cryptosystems, especially for image encryption. However, any chaotic map which is realized on the finite precision device (e.g. computer) will suffer from dynamical degradation, which refers to short cycle lengths, low complexity and strong correlations. In this paper, a novel double perturbation method is proposed for reducing the dynamical degradation of the digital Baker map. Both state variables and system parameters are perturbed by the digital logistic map. Numerical experiments show that the perturbed Baker map can achieve good statistical and cryptographic properties. Furthermore, a new image encryption algorithm is provided as a simple application. With a rather simple algorithm, the encrypted image can achieve high security, which is competitive to the recently proposed image encryption algorithms.

Comparison of two landslide susceptibility assessments in the Champagne-Ardenne region (France)

NASA Astrophysics Data System (ADS)

Den Eeckhaut, M. Van; Marre, A.; Poesen, J.

2010-02-01

The vineyards of the Montagne de Reims are mostly planted on steep south-oriented cuesta fronts receiving a maximum of sun radiation. Due to the location of the vineyards on steep hillslopes, the viticultural activity is threatened by slope failures. This study attempts to better understand the spatial patterns of landslide susceptibility in the Champagne-Ardenne region by comparing a heuristic (qualitative) and a statistical (quantitative) model in a 1120 km² study area. The heuristic landslide susceptibility model was adopted from the Bureau de Recherches Géologiques et Minières, the GEGEAA - Reims University and the Comité Interprofessionnel du Vin de Champagne. In this model, expert knowledge of the region was used to assign weights to all slope classes and lithologies present in the area, but the final susceptibility map was never evaluated with the location of mapped landslides. For the statistical landslide susceptibility assessment, logistic regression was applied to a dataset of 291 'old' (Holocene) landslides. The robustness of the logistic regression model was evaluated and ROC curves were used for model calibration and validation. With regard to the variables assumed to be important environmental factors controlling landslides, the two models are in agreement. They both indicate that present and future landslides are mainly controlled by slope gradient and lithology. However, the comparison of the two landslide susceptibility maps through (1) an evaluation with the location of mapped 'old' landslides and through (2) a temporal validation with spatial data of 'recent' (1960-1999; n = 48) and 'very recent' (2000-2008; n = 46) landslides showed a better prediction capacity for the statistical model produced in this study compared to the heuristic model. In total, the statistically-derived landslide susceptibility map succeeded in correctly classifying 81.0% of the 'old' and 91.6% of the 'recent' and 'very recent' landslides. On the susceptibility map derived from the heuristic model, on the other hand, only 54.6% of the 'old' and 64.0% of the 'recent' and 'very recent' landslides were correctly classified as unstable. Hence, the landslide susceptibility map obtained from logistic regression is a better tool for regional landslide susceptibility analysis in the study area of the Montagne de Reims. The accurate classification of zones with very high and high susceptibility allows delineating zones where viticulturists should be informed and where implementation of precaution measures is needed to secure slope stability.

Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds

NASA Astrophysics Data System (ADS)

Sidorov, Pavel; Gaspar, Helena; Marcou, Gilles; Varnek, Alexandre; Horvath, Dragos

2015-12-01

Intuitive, visual rendering—mapping—of high-dimensional chemical spaces (CS), is an important topic in chemoinformatics. Such maps were so far dedicated to specific compound collections—either limited series of known activities, or large, even exhaustive enumerations of molecules, but without associated property data. Typically, they were challenged to answer some classification problem with respect to those same molecules, admired for their aesthetical virtues and then forgotten—because they were set-specific constructs. This work wishes to address the question whether a general, compound set-independent map can be generated, and the claim of "universality" quantitatively justified, with respect to all the structure-activity information available so far—or, more realistically, an exploitable but significant fraction thereof. The "universal" CS map is expected to project molecules from the initial CS into a lower-dimensional space that is neighborhood behavior-compliant with respect to a large panel of ligand properties. Such map should be able to discriminate actives from inactives, or even support quantitative neighborhood-based, parameter-free property prediction (regression) models, for a wide panel of targets and target families. It should be polypharmacologically competent, without requiring any target-specific parameter fitting. This work describes an evolutionary growth procedure of such maps, based on generative topographic mapping, followed by the validation of their polypharmacological competence. Validation was achieved with respect to a maximum of exploitable structure-activity information, covering all of Homo sapiens proteins of the ChEMBL database, antiparasitic and antiviral data, etc. Five evolved maps satisfactorily solved hundreds of activity-based ligand classification challenges for targets, and even in vivo properties independent from training data. They also stood chemogenomics-related challenges, as cumulated responsibility vectors obtained by mapping of target-specific ligand collections were shown to represent validated target descriptors, complying with currently accepted target classification in biology. Therefore, they represent, in our opinion, a robust and well documented answer to the key question "What is a good CS map?"

Development of a Logistics Support Framework for Defense Mapping Agency (DMA) Automated Systems

DTIC Science & Technology

1990-09-01

cycle of a particular system. This research identified principles of management , design or system life cycle processes, and ILS elements needed to...Delphi results gathered from DMA expert opinions. The principles of management , depicted in the Logistics Systems Management Matrix (LSMM) portrayed...review were used to form the Delphi survey questions in Chapter III. As shown in Figure 2, the LSMM is a three-dimensional model with thp principles of management on

Robust PRNG based on homogeneously distributed chaotic dynamics

NASA Astrophysics Data System (ADS)

Garasym, Oleg; Lozi, René; Taralova, Ina

2016-02-01

This paper is devoted to the design of new chaotic Pseudo Random Number Generator (CPRNG). Exploring several topologies of network of 1-D coupled chaotic mapping, we focus first on two dimensional networks. Two topologically coupled maps are studied: TTL rc non-alternate, and TTL SC alternate. The primary idea of the novel maps has been based on an original coupling of the tent and logistic maps to achieve excellent random properties and homogeneous /uniform/ density in the phase plane, thus guaranteeing maximum security when used for chaos base cryptography. In this aim two new nonlinear CPRNG: MTTL 2 sc and NTTL 2 are proposed. The maps successfully passed numerous statistical, graphical and numerical tests, due to proposed ring coupling and injection mechanisms.

Probability of detecting atrazine/desethyl-atrazine and elevated concentrations of nitrate (NO2+NO3-N) in ground water in the Idaho part of the upper Snake River basin

USGS Publications Warehouse

Rupert, Michael G.

1998-01-01

Draft Federal regulations may require that each State develop a State Pesticide Management Plan for the herbicides atrazine, alachlor, cyanazine, metolachlor, and simazine. This study developed maps that the Idaho State Department of Agriculture might use to predict the probability of detecting atrazine and desethyl-atrazine (a breakdown product of atrazine) in ground water in the Idaho part of the upper Snake River Basin. These maps can be incorporated in the State Pesticide Management Plan and help provide a sound hydrogeologic basis for atrazine management in the study area. Maps showing the probability of detecting atrazine/desethyl-atrazine in ground water were developed as follows: (1) Ground-water monitoring data were overlaid with hydrogeologic and anthropogenic data using a geographic information system to produce a data set in which each well had corresponding data on atrazine use, depth to ground water, geology, land use, precipitation, soils, and well depth. These data then were downloaded to a statistical software package for analysis by logistic regression. (2) Individual (univariate) relations between atrazine/desethyl-atrazine in ground water and atrazine use, depth to ground water, geology, land use, precipitation, soils, and well depth data were evaluated to identify those independent variables significantly related to atrazine/ desethyl-atrazine detections. (3) Several preliminary multivariate models with various combinations of independent variables were constructed. (4) The multivariate models which best predicted the presence of atrazine/desethyl-atrazine in ground water were selected. (5) The multivariate models were entered into the geographic information system and the probability maps were constructed. Two models which best predicted the presence of atrazine/desethyl-atrazine in ground water were selected; one with and one without atrazine use. Correlations of the predicted probabilities of atrazine/desethyl-atrazine in ground water with the percent of actual detections were good; r-squared values were 0.91 and 0.96, respectively. Models were verified using a second set of groundwater quality data. Verification showed that wells with water containing atrazine/desethyl-atrazine had significantly higher probability ratings than wells with water containing no atrazine/desethylatrazine (p <0.002). Logistic regression also was used to develop a preliminary model to predict the probability of nitrite plus nitrate as nitrogen concentrations greater than background levels of 2 milligrams per liter. A direct comparison between the atrazine/ desethyl-atrazine and nitrite plus nitrate as nitrogen probability maps was possible because the same ground-water monitoring, hydrogeologic, and anthropogenic data were used to develop both maps. Land use, precipitation, soil hydrologic group, and well depth were significantly related with atrazine/desethyl-atrazine detections. Depth to water, land use, and soil drainage were signifi- cantly related with elevated nitrite plus nitrate as nitrogen concentrations. The differences between atrazine/desethyl-atrazine and nitrite plus nitrate as nitrogen relations were attributed to differences in chemical behavior of these compounds in the environment and possibly to differences in the extent of use and rates of their application.

Infant Mortality

MedlinePlus

... Projection Tool The CastCost Toolkit en Español Contraceptive Logistics Publications and Products Epidemiology Modules Multimedia Get Email ... Mortality Rates by State Map from the National Center for Health Statistics. ¹The number of infant deaths ...

Using satellite image-based maps and ground inventory data to estimate the area of the remaining Atlantic forest in the Brazilian state of Santa Catarina

Treesearch

Alexander C. Vibrans; Ronald E. McRoberts; Paolo Moser; Adilson L. Nicoletti

2013-01-01

Estimation of large area forest attributes, such as area of forest cover, from remote sensing-based maps is challenging because of image processing, logistical, and data acquisition constraints. In addition, techniques for estimating and compensating for misclassification and estimating uncertainty are often unfamiliar. Forest area for the state of Santa Catarina in...

Spatial patterns of high Aedes aegypti oviposition activity in northwestern Argentina.

PubMed

Estallo, Elizabet Lilia; Más, Guillermo; Vergara-Cid, Carolina; Lanfri, Mario Alberto; Ludueña-Almeida, Francisco; Scavuzzo, Carlos Marcelo; Introini, María Virginia; Zaidenberg, Mario; Almirón, Walter Ricardo

2013-01-01

In Argentina, dengue has affected mainly the Northern provinces, including Salta. The objective of this study was to analyze the spatial patterns of high Aedes aegypti oviposition activity in San Ramón de la Nueva Orán, northwestern Argentina. The location of clusters as hot spot areas should help control programs to identify priority areas and allocate their resources more effectively. Oviposition activity was detected in Orán City (Salta province) using ovitraps, weekly replaced (October 2005-2007). Spatial autocorrelation was measured with Moran's Index and depicted through cluster maps to identify hot spots. Total egg numbers were spatially interpolated and a classified map with Ae. aegypti high oviposition activity areas was performed. Potential breeding and resting (PBR) sites were geo-referenced. A logistic regression analysis of interpolated egg numbers and PBR location was performed to generate a predictive mapping of mosquito oviposition activity. Both cluster maps and predictive map were consistent, identifying in central and southern areas of the city high Ae. aegypti oviposition activity. A logistic regression model was successfully developed to predict Ae. aegypti oviposition activity based on distance to PBR sites, with tire dumps having the strongest association with mosquito oviposition activity. A predictive map reflecting probability of oviposition activity was produced. The predictive map delimitated an area of maximum probability of Ae. aegypti oviposition activity in the south of Orán city where tire dumps predominate. The overall fit of the model was acceptable (ROC=0.77), obtaining 99% of sensitivity and 75.29% of specificity. Distance to tire dumps is inversely associated with high mosquito activity, allowing us to identify hot spots. These methodologies are useful for prevention, surveillance, and control of tropical vector borne diseases and might assist National Health Ministry to focus resources more effectively.

Combining non selective gas sensors on a mobile robot for identification and mapping of multiple chemical compounds.

PubMed

Bennetts, Victor Hernandez; Schaffernicht, Erik; Pomareda, Victor; Lilienthal, Achim J; Marco, Santiago; Trincavelli, Marco

2014-09-17

In this paper, we address the task of gas distribution modeling in scenarios where multiple heterogeneous compounds are present. Gas distribution modeling is particularly useful in emission monitoring applications where spatial representations of the gaseous patches can be used to identify emission hot spots. In realistic environments, the presence of multiple chemicals is expected and therefore, gas discrimination has to be incorporated in the modeling process. The approach presented in this work addresses the task of gas distribution modeling by combining different non selective gas sensors. Gas discrimination is addressed with an open sampling system, composed by an array of metal oxide sensors and a probabilistic algorithm tailored to uncontrolled environments. For each of the identified compounds, the mapping algorithm generates a calibrated gas distribution model using the classification uncertainty and the concentration readings acquired with a photo ionization detector. The meta parameters of the proposed modeling algorithm are automatically learned from the data. The approach was validated with a gas sensitive robot patrolling outdoor and indoor scenarios, where two different chemicals were released simultaneously. The experimental results show that the generated multi compound maps can be used to accurately predict the location of emitting gas sources.

Interpreting linear support vector machine models with heat map molecule coloring

PubMed Central

2011-01-01

Background Model-based virtual screening plays an important role in the early drug discovery stage. The outcomes of high-throughput screenings are a valuable source for machine learning algorithms to infer such models. Besides a strong performance, the interpretability of a machine learning model is a desired property to guide the optimization of a compound in later drug discovery stages. Linear support vector machines showed to have a convincing performance on large-scale data sets. The goal of this study is to present a heat map molecule coloring technique to interpret linear support vector machine models. Based on the weights of a linear model, the visualization approach colors each atom and bond of a compound according to its importance for activity. Results We evaluated our approach on a toxicity data set, a chromosome aberration data set, and the maximum unbiased validation data sets. The experiments show that our method sensibly visualizes structure-property and structure-activity relationships of a linear support vector machine model. The coloring of ligands in the binding pocket of several crystal structures of a maximum unbiased validation data set target indicates that our approach assists to determine the correct ligand orientation in the binding pocket. Additionally, the heat map coloring enables the identification of substructures important for the binding of an inhibitor. Conclusions In combination with heat map coloring, linear support vector machine models can help to guide the modification of a compound in later stages of drug discovery. Particularly substructures identified as important by our method might be a starting point for optimization of a lead compound. The heat map coloring should be considered as complementary to structure based modeling approaches. As such, it helps to get a better understanding of the binding mode of an inhibitor. PMID:21439031

Detection and Monitoring of Neurotransmitters - a Spectroscopic Analysis

NASA Astrophysics Data System (ADS)

Manciu, Felicia; Lee, Kendall; Durrer, William; Bennet, Kevin

2012-10-01

In this work we demonstrate the capability of confocal Raman mapping spectroscopy for simultaneously and locally detecting important compounds in neuroscience such as dopamine, serotonin, and adenosine. The Raman results show shifting of the characteristic vibrations of the compounds, observations consistent with previous spectroscopic studies. Although some vibrations are common in these neurotransmitters, Raman mapping was achieved by detecting non-overlapping characteristic spectral signatures of the compounds, as follows: for dopamine the vibration attributed to C-O stretching, for serotonin the indole ring stretching vibration, and for adenosine the adenine ring vibrations. Without damage, dyeing, or preferential sample preparation, confocal Raman mapping provided positive detection of each neurotransmitter, allowing association of the high-resolution spectra with specific micro-scale image regions. Such information is particularly important for complex, heterogeneous samples, where modification of the chemical or physical composition can influence the neurotransmission processes. We also report an estimated dopamine diffusion coefficient two orders of magnitude smaller than that calculated by the flow-injection method.

Connectivity Mapping for Candidate Therapeutics Identification Using Next Generation Sequencing RNA-Seq Data

PubMed Central

McArt, Darragh G.; Dunne, Philip D.; Blayney, Jaine K.; Salto-Tellez, Manuel; Van Schaeybroeck, Sandra; Hamilton, Peter W.; Zhang, Shu-Dong

2013-01-01

The advent of next generation sequencing technologies (NGS) has expanded the area of genomic research, offering high coverage and increased sensitivity over older microarray platforms. Although the current cost of next generation sequencing is still exceeding that of microarray approaches, the rapid advances in NGS will likely make it the platform of choice for future research in differential gene expression. Connectivity mapping is a procedure for examining the connections among diseases, genes and drugs by differential gene expression initially based on microarray technology, with which a large collection of compound-induced reference gene expression profiles have been accumulated. In this work, we aim to test the feasibility of incorporating NGS RNA-Seq data into the current connectivity mapping framework by utilizing the microarray based reference profiles and the construction of a differentially expressed gene signature from a NGS dataset. This would allow for the establishment of connections between the NGS gene signature and those microarray reference profiles, alleviating the associated incurring cost of re-creating drug profiles with NGS technology. We examined the connectivity mapping approach on a publicly available NGS dataset with androgen stimulation of LNCaP cells in order to extract candidate compounds that could inhibit the proliferative phenotype of LNCaP cells and to elucidate their potential in a laboratory setting. In addition, we also analyzed an independent microarray dataset of similar experimental settings. We found a high level of concordance between the top compounds identified using the gene signatures from the two datasets. The nicotine derivative cotinine was returned as the top candidate among the overlapping compounds with potential to suppress this proliferative phenotype. Subsequent lab experiments validated this connectivity mapping hit, showing that cotinine inhibits cell proliferation in an androgen dependent manner. Thus the results in this study suggest a promising prospect of integrating NGS data with connectivity mapping. PMID:23840550

Mapping of Drug-like Chemical Universe with Reduced Complexity Molecular Frameworks.

PubMed

Kontijevskis, Aleksejs

2017-04-24

The emergence of the DNA-encoded chemical libraries (DEL) field in the past decade has attracted the attention of the pharmaceutical industry as a powerful mechanism for the discovery of novel drug-like hits for various biological targets. Nuevolution Chemetics technology enables DNA-encoded synthesis of billions of chemically diverse drug-like small molecule compounds, and the efficient screening and optimization of these, facilitating effective identification of drug candidates at an unprecedented speed and scale. Although many approaches have been developed by the cheminformatics community for the analysis and visualization of drug-like chemical space, most of them are restricted to the analysis of a maximum of a few millions of compounds and cannot handle collections of 10 8 -10 12 compounds typical for DELs. To address this big chemical data challenge, we developed the Reduced Complexity Molecular Frameworks (RCMF) methodology as an abstract and very general way of representing chemical structures. By further introducing RCMF descriptors, we constructed a global framework map of drug-like chemical space and demonstrated how chemical space occupied by multi-million-member drug-like Chemetics DNA-encoded libraries and virtual combinatorial libraries with >10 12 members could be analyzed and mapped without a need for library enumeration. We further validate the approach by performing RCMF-based searches in a drug-like chemical universe and mapping Chemetics library selection outputs for LSD1 targets on a global framework chemical space map.

Infrared mapping resolves soft tissue preservation in 50 million year-old reptile skin.

PubMed

Edwards, N P; Barden, H E; van Dongen, B E; Manning, P L; Larson, P L; Bergmann, U; Sellers, W I; Wogelius, R A

2011-11-07

Non-destructive Fourier Transform InfraRed (FTIR) mapping of Eocene aged fossil reptile skin shows that biological control on the distribution of endogenous organic components within fossilized soft tissue can be resolved. Mapped organic functional units within this approximately 50 Myr old specimen from the Green River Formation (USA) include amide and sulphur compounds. These compounds are most probably derived from the original beta keratin present in the skin because fossil leaf- and other non-skin-derived organic matter from the same geological formation do not show intense amide or thiol absorption bands. Maps and spectra from the fossil are directly comparable to extant reptile skin. Furthermore, infrared results are corroborated by several additional quantitative methods including Synchrotron Rapid Scanning X-Ray Fluorescence (SRS-XRF) and Pyrolysis-Gas Chromatography/Mass Spectrometry (Py-GC/MS). All results combine to clearly show that the organic compound inventory of the fossil skin is different from the embedding sedimentary matrix and fossil plant material. A new taphonomic model involving ternary complexation between keratin-derived organic molecules, divalent trace metals and silicate surfaces is presented to explain the survival of the observed compounds. X-ray diffraction shows that suitable minerals for complex formation are present. Previously, this study would only have been possible with major destructive sampling. Non-destructive FTIR imaging methods are thus shown to be a valuable tool for understanding the taphonomy of high-fidelity preservation, and furthermore, may provide insight into the biochemistry of extinct organisms.

Infrared mapping resolves soft tissue preservation in 50 million year-old reptile skin

PubMed Central

Edwards, N. P.; Barden, H. E.; van Dongen, B. E.; Manning, P. L.; Larson, P. L.; Bergmann, U.; Sellers, W. I.; Wogelius, R. A.

2011-01-01

Non-destructive Fourier Transform InfraRed (FTIR) mapping of Eocene aged fossil reptile skin shows that biological control on the distribution of endogenous organic components within fossilized soft tissue can be resolved. Mapped organic functional units within this approximately 50 Myr old specimen from the Green River Formation (USA) include amide and sulphur compounds. These compounds are most probably derived from the original beta keratin present in the skin because fossil leaf- and other non-skin-derived organic matter from the same geological formation do not show intense amide or thiol absorption bands. Maps and spectra from the fossil are directly comparable to extant reptile skin. Furthermore, infrared results are corroborated by several additional quantitative methods including Synchrotron Rapid Scanning X-Ray Fluorescence (SRS-XRF) and Pyrolysis-Gas Chromatography/Mass Spectrometry (Py-GC/MS). All results combine to clearly show that the organic compound inventory of the fossil skin is different from the embedding sedimentary matrix and fossil plant material. A new taphonomic model involving ternary complexation between keratin-derived organic molecules, divalent trace metals and silicate surfaces is presented to explain the survival of the observed compounds. X-ray diffraction shows that suitable minerals for complex formation are present. Previously, this study would only have been possible with major destructive sampling. Non-destructive FTIR imaging methods are thus shown to be a valuable tool for understanding the taphonomy of high-fidelity preservation, and furthermore, may provide insight into the biochemistry of extinct organisms. PMID:21429928

Comparison of Logistic Regression and Random Forests techniques for shallow landslide susceptibility assessment in Giampilieri (NE Sicily, Italy)

NASA Astrophysics Data System (ADS)

Trigila, Alessandro; Iadanza, Carla; Esposito, Carlo; Scarascia-Mugnozza, Gabriele

2015-11-01

The aim of this work is to define reliable susceptibility models for shallow landslides using Logistic Regression and Random Forests multivariate statistical techniques. The study area, located in North-East Sicily, was hit on October 1st 2009 by a severe rainstorm (225 mm of cumulative rainfall in 7 h) which caused flash floods and more than 1000 landslides. Several small villages, such as Giampilieri, were hit with 31 fatalities, 6 missing persons and damage to buildings and transportation infrastructures. Landslides, mainly types such as earth and debris translational slides evolving into debris flows, were triggered on steep slopes and involved colluvium and regolith materials which cover the underlying metamorphic bedrock. The work has been carried out with the following steps: i) realization of a detailed event landslide inventory map through field surveys coupled with observation of high resolution aerial colour orthophoto; ii) identification of landslide source areas; iii) data preparation of landslide controlling factors and descriptive statistics based on a bivariate method (Frequency Ratio) to get an initial overview on existing relationships between causative factors and shallow landslide source areas; iv) choice of criteria for the selection and sizing of the mapping unit; v) implementation of 5 multivariate statistical susceptibility models based on Logistic Regression and Random Forests techniques and focused on landslide source areas; vi) evaluation of the influence of sample size and type of sampling on results and performance of the models; vii) evaluation of the predictive capabilities of the models using ROC curve, AUC and contingency tables; viii) comparison of model results and obtained susceptibility maps; and ix) analysis of temporal variation of landslide susceptibility related to input parameter changes. Models based on Logistic Regression and Random Forests have demonstrated excellent predictive capabilities. Land use and wildfire variables were found to have a strong control on the occurrence of very rapid shallow landslides.

A novel image encryption algorithm using chaos and reversible cellular automata

NASA Astrophysics Data System (ADS)

Wang, Xingyuan; Luan, Dapeng

2013-11-01

In this paper, a novel image encryption scheme is proposed based on reversible cellular automata (RCA) combining chaos. In this algorithm, an intertwining logistic map with complex behavior and periodic boundary reversible cellular automata are used. We split each pixel of image into units of 4 bits, then adopt pseudorandom key stream generated by the intertwining logistic map to permute these units in confusion stage. And in diffusion stage, two-dimensional reversible cellular automata which are discrete dynamical systems are applied to iterate many rounds to achieve diffusion on bit-level, in which we only consider the higher 4 bits in a pixel because the higher 4 bits carry almost the information of an image. Theoretical analysis and experimental results demonstrate the proposed algorithm achieves a high security level and processes good performance against common attacks like differential attack and statistical attack. This algorithm belongs to the class of symmetric systems.

Effect of extreme data loss on heart rate signals quantified by entropy analysis

NASA Astrophysics Data System (ADS)

Li, Yu; Wang, Jun; Li, Jin; Liu, Dazhao

2015-02-01

The phenomenon of data loss always occurs in the analysis of large databases. Maintaining the stability of analysis results in the event of data loss is very important. In this paper, we used a segmentation approach to generate a synthetic signal that is randomly wiped from data according to the Gaussian distribution and the exponential distribution of the original signal. Then, the logistic map is used as verification. Finally, two methods of measuring entropy-base-scale entropy and approximate entropy-are comparatively analyzed. Our results show the following: (1) Two key parameters-the percentage and the average length of removed data segments-can change the sequence complexity according to logistic map testing. (2) The calculation results have preferable stability for base-scale entropy analysis, which is not sensitive to data loss. (3) The loss percentage of HRV signals should be controlled below the range (p = 30 %), which can provide useful information in clinical applications.

Research on Image Encryption Based on DNA Sequence and Chaos Theory

NASA Astrophysics Data System (ADS)

Tian Zhang, Tian; Yan, Shan Jun; Gu, Cheng Yan; Ren, Ran; Liao, Kai Xin

2018-04-01

Nowadays encryption is a common technique to protect image data from unauthorized access. In recent years, many scientists have proposed various encryption algorithms based on DNA sequence to provide a new idea for the design of image encryption algorithm. Therefore, a new method of image encryption based on DNA computing technology is proposed in this paper, whose original image is encrypted by DNA coding and 1-D logistic chaotic mapping. First, the algorithm uses two modules as the encryption key. The first module uses the real DNA sequence, and the second module is made by one-dimensional logistic chaos mapping. Secondly, the algorithm uses DNA complementary rules to encode original image, and uses the key and DNA computing technology to compute each pixel value of the original image, so as to realize the encryption of the whole image. Simulation results show that the algorithm has good encryption effect and security.

Application of logistic regression for landslide susceptibility zoning of Cekmece Area, Istanbul, Turkey

NASA Astrophysics Data System (ADS)

Duman, T. Y.; Can, T.; Gokceoglu, C.; Nefeslioglu, H. A.; Sonmez, H.

2006-11-01

As a result of industrialization, throughout the world, cities have been growing rapidly for the last century. One typical example of these growing cities is Istanbul, the population of which is over 10 million. Due to rapid urbanization, new areas suitable for settlement and engineering structures are necessary. The Cekmece area located west of the Istanbul metropolitan area is studied, because the landslide activity is extensive in this area. The purpose of this study is to develop a model that can be used to characterize landslide susceptibility in map form using logistic regression analysis of an extensive landslide database. A database of landslide activity was constructed using both aerial-photography and field studies. About 19.2% of the selected study area is covered by deep-seated landslides. The landslides that occur in the area are primarily located in sandstones with interbedded permeable and impermeable layers such as claystone, siltstone and mudstone. About 31.95% of the total landslide area is located at this unit. To apply logistic regression analyses, a data matrix including 37 variables was constructed. The variables used in the forwards stepwise analyses are different measures of slope, aspect, elevation, stream power index (SPI), plan curvature, profile curvature, geology, geomorphology and relative permeability of lithological units. A total of 25 variables were identified as exerting strong influence on landslide occurrence, and included by the logistic regression equation. Wald statistics values indicate that lithology, SPI and slope are more important than the other parameters in the equation. Beta coefficients of the 25 variables included the logistic regression equation provide a model for landslide susceptibility in the Cekmece area. This model is used to generate a landslide susceptibility map that correctly classified 83.8% of the landslide-prone areas.

Mapping erosion susceptibility by a multivariate statistical method: A case study from the Ayvalık region, NW Turkey

NASA Astrophysics Data System (ADS)

Akgün, Aykut; Türk, Necdet

2011-09-01

Erosion is one of the most important natural hazard phenomena in the world, and it poses a significant threat to Turkey in terms of land degredation and desertification. To cope with this problem, we must determine which areas are erosion-prone. Many studies have been carried out and different models and methods have been used to this end. In this study, we used a logistic regression to prepare an erosion susceptibility map for the Ayvalık region in Balıkesir (NW Turkey). The following were our assessment parameters: weathering grades of rocks, slope gradient, structural lineament density, drainage density, land cover, stream power index (SPI) and profile curvature. These were processed by Idrisi Kilimanjaro GIS software. We used logistic regression analysis to relate predictor variables to the occurrence or non-occurrence of gully erosion sites within geographic cells, and then we used this relationship to produce a probability map for future erosion sites. The results indicate that lineament density, weathering grades of rocks and drainage density are the most important variables governing erosion susceptibility. Other variables, such as land cover and slope gradient, were revealed as secondary important variables. Highly weathered basalt, andesite, basaltic andesite and lacustrine sediments were the units most susceptible to erosion. In order to calculate the prediction accuracy of the erosion susceptibility map generated, we compared it with the map showing the gully erosion areas. On the basis of this comparison, the area under curvature (AUC) value was found to be 0.81. This result suggests that the erosion susceptibility map we generated is accurate.

Accurate atom-mapping computation for biochemical reactions.

PubMed

Latendresse, Mario; Malerich, Jeremiah P; Travers, Mike; Karp, Peter D

2012-11-26

The complete atom mapping of a chemical reaction is a bijection of the reactant atoms to the product atoms that specifies the terminus of each reactant atom. Atom mapping of biochemical reactions is useful for many applications of systems biology, in particular for metabolic engineering where synthesizing new biochemical pathways has to take into account for the number of carbon atoms from a source compound that are conserved in the synthesis of a target compound. Rapid, accurate computation of the atom mapping(s) of a biochemical reaction remains elusive despite significant work on this topic. In particular, past researchers did not validate the accuracy of mapping algorithms. We introduce a new method for computing atom mappings called the minimum weighted edit-distance (MWED) metric. The metric is based on bond propensity to react and computes biochemically valid atom mappings for a large percentage of biochemical reactions. MWED models can be formulated efficiently as Mixed-Integer Linear Programs (MILPs). We have demonstrated this approach on 7501 reactions of the MetaCyc database for which 87% of the models could be solved in less than 10 s. For 2.1% of the reactions, we found multiple optimal atom mappings. We show that the error rate is 0.9% (22 reactions) by comparing these atom mappings to 2446 atom mappings of the manually curated Kyoto Encyclopedia of Genes and Genomes (KEGG) RPAIR database. To our knowledge, our computational atom-mapping approach is the most accurate and among the fastest published to date. The atom-mapping data will be available in the MetaCyc database later in 2012; the atom-mapping software will be available within the Pathway Tools software later in 2012.

Inland empire logistics GIS mapping project.

DOT National Transportation Integrated Search

2009-01-01

The Inland Empire has experienced exponential growth in the area of warehousing and distribution facilities within the last decade and it seems that it will continue way into the future. Where are these facilities located? How large are the facilitie...

Simultaneous measurement and modulation of multiple physiological parameters in the isolated heart using optical techniques

PubMed Central

Lee, Peter; Yan, Ping; Ewart, Paul; Kohl, Peter

2012-01-01

Whole-heart multi-parametric optical mapping has provided valuable insight into the interplay of electro-physiological parameters, and this technology will continue to thrive as dyes are improved and technical solutions for imaging become simpler and cheaper. Here, we show the advantage of using improved 2nd-generation voltage dyes, provide a simple solution to panoramic multi-parametric mapping, and illustrate the application of flash photolysis of caged compounds for studies in the whole heart. For proof of principle, we used the isolated rat whole-heart model. After characterising the blue and green isosbestic points of di-4-ANBDQBS and di-4-ANBDQPQ, respectively, two voltage and calcium mapping systems are described. With two newly custom-made multi-band optical filters, (1) di-4-ANBDQBS and fluo-4 and (2) di-4-ANBDQPQ and rhod-2 mapping are demonstrated. Furthermore, we demonstrate three-parameter mapping using di-4-ANBDQPQ, rhod-2 and NADH. Using off-the-shelf optics and the di-4-ANBDQPQ and rhod-2 combination, we demonstrate panoramic multi-parametric mapping, affording a 360° spatiotemporal record of activity. Finally, local optical perturbation of calcium dynamics in the whole heart is demonstrated using the caged compound, o-nitrophenyl ethylene glycol tetraacetic acid (NP-EGTA), with an ultraviolet light-emitting diode (LED). Calcium maps (heart loaded with di-4-ANBDQPQ and rhod-2) demonstrate successful NP-EGTA loading and local flash photolysis. All imaging systems were built using only a single camera. In conclusion, using novel 2nd-generation voltage dyes, we developed scalable techniques for multi-parametric optical mapping of the whole heart from one point of view and panoramically. In addition to these parameter imaging approaches, we show that it is possible to use caged compounds and ultraviolet LEDs to locally perturb electrophysiological parameters in the whole heart. PMID:22886365

Mapping of the DLQI scores to EQ-5D utility values using ordinal logistic regression.

PubMed

Ali, Faraz Mahmood; Kay, Richard; Finlay, Andrew Y; Piguet, Vincent; Kupfer, Joerg; Dalgard, Florence; Salek, M Sam

2017-11-01

The Dermatology Life Quality Index (DLQI) and the European Quality of Life-5 Dimension (EQ-5D) are separate measures that may be used to gather health-related quality of life (HRQoL) information from patients. The EQ-5D is a generic measure from which health utility estimates can be derived, whereas the DLQI is a specialty-specific measure to assess HRQoL. To reduce the burden of multiple measures being administered and to enable a more disease-specific calculation of health utility estimates, we explored an established mathematical technique known as ordinal logistic regression (OLR) to develop an appropriate model to map DLQI data to EQ-5D-based health utility estimates. Retrospective data from 4010 patients were randomly divided five times into two groups for the derivation and testing of the mapping model. Split-half cross-validation was utilized resulting in a total of ten ordinal logistic regression models for each of the five EQ-5D dimensions against age, sex, and all ten items of the DLQI. Using Monte Carlo simulation, predicted health utility estimates were derived and compared against those observed. This method was repeated for both OLR and a previously tested mapping methodology based on linear regression. The model was shown to be highly predictive and its repeated fitting demonstrated a stable model using OLR as well as linear regression. The mean differences between OLR-predicted health utility estimates and observed health utility estimates ranged from 0.0024 to 0.0239 across the ten modeling exercises, with an average overall difference of 0.0120 (a 1.6% underestimate, not of clinical importance). This modeling framework developed in this study will enable researchers to calculate EQ-5D health utility estimates from a specialty-specific study population, reducing patient and economic burden.

Coumarin incorporated triazoles: a new class of anticonvulsants.

PubMed

Bhat, Mashooq A; Al-Omar, Mohammed A

2011-01-01

A series of coumarin incorporated 1,2,4- triazole compounds (1-14) were evaluated for their possible anticonvulsant and neurotoxic properties, log P values, pharmacophoric mapping and three dimensional structure analysis. Compound (6) with para-fluoro substitution showed significant anticonvulsant activity.

Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge.

PubMed

Gaspar, Héléna A; Baskin, Igor I; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

2015-01-26

This paper is devoted to the analysis and visualization in 2-dimensional space of large data sets of millions of compounds using the incremental version of generative topographic mapping (iGTM). The iGTM algorithm implemented in the in-house ISIDA-GTM program was applied to a database of more than 2 million compounds combining data sets of 36 chemicals suppliers and the NCI collection, encoded either by MOE descriptors or by MACCS keys. Taking advantage of the probabilistic nature of GTM, several approaches to data analysis were proposed. The chemical space coverage was evaluated using the normalized Shannon entropy. Different views of the data (property landscapes) were obtained by mapping various physical and chemical properties (molecular weight, aqueous solubility, LogP, etc.) onto the iGTM map. The superposition of these views helped to identify the regions in the chemical space populated by compounds with desirable physicochemical profiles and the suppliers providing them. The data sets similarity in the latent space was assessed by applying several metrics (Euclidean distance, Tanimoto and Bhattacharyya coefficients) to data probability distributions based on cumulated responsibility vectors. As a complementary approach, data sets were compared by considering them as individual objects on a meta-GTM map, built on cumulated responsibility vectors or property landscapes produced with iGTM. We believe that the iGTM methodology described in this article represents a fast and reliable way to analyze and visualize large chemical databases.

Decision-making tools for distribution networks in disaster relief.

DOT National Transportation Integrated Search

2011-08-05

The devastation caused by the 2010 earthquake in Haiti was compounded by the significant logistical : challenges of distributing relief to those in need. Unfortunately this is the case with many disasters. : Rapid and efficient distribution of water,...

A Tamarisk Habitat Suitability Map for the Continental US

NASA Technical Reports Server (NTRS)

Morisette, Jeffrey T.; Jernevich, Catherine S.; Ullah, Asad; Cai, Weijie; Pedelty, Jeffrey A.; Gentle, Jim; Stohlgren, Thomas J.; Schnase, John L.

2005-01-01

This paper presents a national-scale map of habitat suitability for a high-priority invasive species, Tamarisk (Tamarisk spp., salt cedar). We successfully integrate satellite data and tens of thousands of field sampling points through logistic regression modeling to create a habitat suitability map that is 90% accurate. This interagency effort uses field data collected and coordinated through the US Geological Survey and nation-wide environmental data layers derived from NASA s MODerate Resolution Imaging Spectroradiometer (MODIS). We demonstrate the utilization of the map by ranking the lower 48 US states (and the District of Columbia) based upon their absolute, as well as proportional, areas of highly likely and moderately likely habitat for Tamarisk. The interagency effort and modeling approach presented here could be applied to map other harmful species in the US and globally.

Pharmacophore modeling of diverse classes of p38 MAP kinase inhibitors.

PubMed

Sarma, Rituparna; Sinha, Sharat; Ravikumar, Muttineni; Kishore Kumar, Madala; Mahmood, S K

2008-12-01

Mitogen-activated protein (MAP) p38 kinase is a serine-threonine protein kinase and its inhibitors are useful in the treatment of inflammatory diseases. Pharmacophore models were developed using HypoGen program of Catalyst with diverse classes of p38 MAP kinase inhibitors. The best pharmacophore hypothesis (Hypo1) with hydrogen-bond acceptor (HBA), hydrophobic (HY), hydrogen-bond donor (HBD), and ring aromatic (RA) as features has correlation coefficient of 0.959, root mean square deviation (RMSD) of 1.069 and configuration cost of 14.536. The model was validated using test set containing 119 compounds and had high correlation coefficient of 0.851. The results demonstrate that results obtained in this study can be considered to be useful and reliable tools in identifying structurally diverse compounds with desired biological activity.

Evolution of probability densities in stochastic coupled map lattices

NASA Astrophysics Data System (ADS)

Losson, Jérôme; Mackey, Michael C.

1995-08-01

This paper describes the statistical properties of coupled map lattices subjected to the influence of stochastic perturbations. The stochastic analog of the Perron-Frobenius operator is derived for various types of noise. When the local dynamics satisfy rather mild conditions, this equation is shown to possess either stable, steady state solutions (i.e., a stable invariant density) or density limit cycles. Convergence of the phase space densities to these limit cycle solutions explains the nonstationary behavior of statistical quantifiers at equilibrium. Numerical experiments performed on various lattices of tent, logistic, and shift maps with diffusivelike interelement couplings are examined in light of these theoretical results.

Postharvest changes in the phenolic profile of watercress induced by post-packaging irradiation and modified atmosphere packaging.

PubMed

Pinela, José; Barros, Lillian; Barreira, João C M; Carvalho, Ana Maria; Oliveira, M Beatriz P P; Santos-Buelga, Celestino; Ferreira, Isabel C F R

2018-07-15

The effects of γ-ray irradiation and modified atmosphere packaging (MAP) on watercress (Nasturtium officinale R. Br.) phenolic compounds were evaluated after 7-day storage at 4 °C. Irradiation doses of 1, 2 and 5 kGy were tested, as well as vacuum-packaging and MAP enriched with 100% N 2 and Ar. A non-irradiated, air-packaged control was included in all experiments. p-Coumaric acid was the most abundant compound in fresh watercress, followed by quercetin-3-O-sophoroside and isorhamnetin-O-hydroxyferuloylhexoside-O-hexoside. Four kaempferol glycoside derivatives were identified for the first time in this species. In general, flavonoids predominated over phenolic acids. Samples stored under vacuum and irradiated at 2 kGy revealed lower phenolic levels. Ar-enriched MAP and control conditions preserved the initial phenolic content. The 5 kGy dose also maintained concentrations of flavonoids and total phenolic compounds, but increased the phenolic acids content. Additionally, flavonoids were found strongly correlated to DPPH scavenging activity and β-carotene bleaching inhibition capacity. Copyright © 2018 Elsevier Ltd. All rights reserved.

Design of an image encryption scheme based on a multiple chaotic map

NASA Astrophysics Data System (ADS)

Tong, Xiao-Jun

2013-07-01

In order to solve the problem that chaos is degenerated in limited computer precision and Cat map is the small key space, this paper presents a chaotic map based on topological conjugacy and the chaotic characteristics are proved by Devaney definition. In order to produce a large key space, a Cat map named block Cat map is also designed for permutation process based on multiple-dimensional chaotic maps. The image encryption algorithm is based on permutation-substitution, and each key is controlled by different chaotic maps. The entropy analysis, differential analysis, weak-keys analysis, statistical analysis, cipher random analysis, and cipher sensibility analysis depending on key and plaintext are introduced to test the security of the new image encryption scheme. Through the comparison to the proposed scheme with AES, DES and Logistic encryption methods, we come to the conclusion that the image encryption method solves the problem of low precision of one dimensional chaotic function and has higher speed and higher security.

Genome wide association mapping for leaf

USDA-ARS?s Scientific Manuscript database

Cyanogenic glucosides are natural compounds found in over 1,000 species of angiosperms that produce HCN and are deemed undesirable for agricultural use. However, these compounds are important components of primary defensive mechanisms of many plant species. One of the best-studied cyanogenic gluco...

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

Not Available

Greenland's Mineral Resources Administration (MRA) plans a series of licensing rounds off western Greenland. Meanwhile, the MRA has declared the Jameson Land basin of east central Greenland as open acreage. Greenland Geological Survey (GGU), Copenhagen, has prepared a report on the geographical conditions, logistics, exploration history, and geological development of Jameson Land. The article emphasizes source and reservoir rocks, conceptual play types with six seismic examples, and thermal history with basin modeling. It also includes two interpreted regional seismic lines, a geological and an aeromagnetic map, depth structure, and isopach maps of selected formations.

Science in the Sun: How Science is Performed as a Spatial Practice

NASA Astrophysics Data System (ADS)

Kass, Natalie

This study analyzes how spatial organization impacts science communication at the St. Petersburg Science Festival in Florida. Through map analysis, qualitative interviews, and a close reading of evaluation reports, the author determines that sponsorship, logistics, exhibitor ambience, and map usability and design are the factors most affecting the spatial performance of science. To mitigate their effects, technical communicators can identify these factors and provide the necessary revisions when considering how science is communicated to the public.

Spatial Patterns of High Aedes aegypti Oviposition Activity in Northwestern Argentina

PubMed Central

Estallo, Elizabet Lilia; Más, Guillermo; Vergara-Cid, Carolina; Lanfri, Mario Alberto; Ludueña-Almeida, Francisco; Scavuzzo, Carlos Marcelo; Introini, María Virginia; Zaidenberg, Mario; Almirón, Walter Ricardo

2013-01-01

Background In Argentina, dengue has affected mainly the Northern provinces, including Salta. The objective of this study was to analyze the spatial patterns of high Aedes aegypti oviposition activity in San Ramón de la Nueva Orán, northwestern Argentina. The location of clusters as hot spot areas should help control programs to identify priority areas and allocate their resources more effectively. Methodology Oviposition activity was detected in Orán City (Salta province) using ovitraps, weekly replaced (October 2005–2007). Spatial autocorrelation was measured with Moran’s Index and depicted through cluster maps to identify hot spots. Total egg numbers were spatially interpolated and a classified map with Ae. aegypti high oviposition activity areas was performed. Potential breeding and resting (PBR) sites were geo-referenced. A logistic regression analysis of interpolated egg numbers and PBR location was performed to generate a predictive mapping of mosquito oviposition activity. Principal Findings Both cluster maps and predictive map were consistent, identifying in central and southern areas of the city high Ae. aegypti oviposition activity. A logistic regression model was successfully developed to predict Ae. aegypti oviposition activity based on distance to PBR sites, with tire dumps having the strongest association with mosquito oviposition activity. A predictive map reflecting probability of oviposition activity was produced. The predictive map delimitated an area of maximum probability of Ae. aegypti oviposition activity in the south of Orán city where tire dumps predominate. The overall fit of the model was acceptable (ROC = 0.77), obtaining 99% of sensitivity and 75.29% of specificity. Conclusions Distance to tire dumps is inversely associated with high mosquito activity, allowing us to identify hot spots. These methodologies are useful for prevention, surveillance, and control of tropical vector borne diseases and might assist National Health Ministry to focus resources more effectively. PMID:23349813

Using Deep Learning for Compound Selectivity Prediction.

PubMed

Zhang, Ruisheng; Li, Juan; Lu, Jingjing; Hu, Rongjing; Yuan, Yongna; Zhao, Zhili

2016-01-01

Compound selectivity prediction plays an important role in identifying potential compounds that bind to the target of interest with high affinity. However, there is still short of efficient and accurate computational approaches to analyze and predict compound selectivity. In this paper, we propose two methods to improve the compound selectivity prediction. We employ an improved multitask learning method in Neural Networks (NNs), which not only incorporates both activity and selectivity for other targets, but also uses a probabilistic classifier with a logistic regression. We further improve the compound selectivity prediction by using the multitask learning method in Deep Belief Networks (DBNs) which can build a distributed representation model and improve the generalization of the shared tasks. In addition, we assign different weights to the auxiliary tasks that are related to the primary selectivity prediction task. In contrast to other related work, our methods greatly improve the accuracy of the compound selectivity prediction, in particular, using the multitask learning in DBNs with modified weights obtains the best performance.

A Multi-Stage Reverse Logistics Network Problem by Using Hybrid Priority-Based Genetic Algorithm

NASA Astrophysics Data System (ADS)

Lee, Jeong-Eun; Gen, Mitsuo; Rhee, Kyong-Gu

Today remanufacturing problem is one of the most important problems regarding to the environmental aspects of the recovery of used products and materials. Therefore, the reverse logistics is gaining become power and great potential for winning consumers in a more competitive context in the future. This paper considers the multi-stage reverse Logistics Network Problem (m-rLNP) while minimizing the total cost, which involves reverse logistics shipping cost and fixed cost of opening the disassembly centers and processing centers. In this study, we first formulate the m-rLNP model as a three-stage logistics network model. Following for solving this problem, we propose a Genetic Algorithm pri (GA) with priority-based encoding method consisting of two stages, and introduce a new crossover operator called Weight Mapping Crossover (WMX). Additionally also a heuristic approach is applied in the 3rd stage to ship of materials from processing center to manufacturer. Finally numerical experiments with various scales of the m-rLNP models demonstrate the effectiveness and efficiency of our approach by comparing with the recent researches.

Reduced weight decontamination formulation utilizing a solid peracid compound for neutralization of chemical and biological warfare agents

DOEpatents

Tucker, Mark D [Albuquerque, NM

2011-09-20

A reduced weight decontamination formulation that utilizes a solid peracid compound (sodium borate peracetate) and a cationic surfactant (dodecyltrimethylammonium chloride) that can be packaged with all water removed. This reduces the packaged weight of the decontamination formulation by .about.80% (as compared to the "all-liquid" DF-200 formulation) and significantly lowers the logistics burden on the warfighter. Water (freshwater or saltwater) is added to the new decontamination formulation at the time of use from a local source.

Selenium in irrigated agricultural areas of the western United States

USGS Publications Warehouse

Nolan, B.T.; Clark, M.L.

1997-01-01

A logistic regression model was developed to predict the likelihood that Se exceeds the USEPA chronic criterion for aquatic life (5 ??g/L) in irrigated agricultural areas of the western USA. Preliminary analysis of explanatory variables used in the model indicated that surface-water Se concentration increased with increasing dissolved solids (DS) concentration and with the presence of Upper Cretaceous, mainly marine sediment. The presence or absence of Cretaceous sediment was the major variable affecting Se concentration in surface-water samples from the National Irrigation Water Quality Program. Median Se concentration was 14 ??g/L in samples from areas underlain by Cretaceous sediments and < 1 ??g/L in samples from areas underlain by non-Cretaceous sediments. Wilcoxon rank sum tests indicated that elevated Se concentrations in samples from areas with Cretaceous sediments, irrigated areas, and from closed lakes and ponds were statistically significant. Spearman correlations indicated that Se was positively correlated with a binary geology variable (0.64) and DS (0.45). Logistic regression models indicated that the concentration of Se in surface water was almost certain to exceed the Environmental Protection Agency aquatic-life chronic criterion of 5 ??g/L when DS was greater than 3000 mg/L in areas with Cretaceous sediments. The 'best' logistic regression model correctly predicted Se exceedances and nonexceedances 84.4% of the time, and model sensitivity was 80.7%. A regional map of Cretaceous sediment showed the location of potential problem areas. The map and logistic regression model are tools that can be used to determine the potential for Se contamination of irrigated agricultural areas in the western USA.

Differentiation of orbital lymphoma and idiopathic orbital inflammatory pseudotumor: combined diagnostic value of conventional MRI and histogram analysis of ADC maps.

PubMed

Ren, Jiliang; Yuan, Ying; Wu, Yingwei; Tao, Xiaofeng

2018-05-02

The overlap of morphological feature and mean ADC value restricted clinical application of MRI in the differential diagnosis of orbital lymphoma and idiopathic orbital inflammatory pseudotumor (IOIP). In this paper, we aimed to retrospectively evaluate the combined diagnostic value of conventional magnetic resonance imaging (MRI) and whole-tumor histogram analysis of apparent diffusion coefficient (ADC) maps in the differentiation of the two lesions. In total, 18 patients with orbital lymphoma and 22 patients with IOIP were included, who underwent both conventional MRI and diffusion weighted imaging before treatment. Conventional MRI features and histogram parameters derived from ADC maps, including mean ADC (ADC mean ), median ADC (ADC median ), skewness, kurtosis, 10th, 25th, 75th and 90th percentiles of ADC (ADC 10 , ADC 25 , ADC 75 , ADC 90 ) were evaluated and compared between orbital lymphoma and IOIP. Multivariate logistic regression analysis was used to identify the most valuable variables for discriminating. Differential model was built upon the selected variables and receiver operating characteristic (ROC) analysis was also performed to determine the differential ability of the model. Multivariate logistic regression showed ADC 10 (P = 0.023) and involvement of orbit preseptal space (P = 0.029) were the most promising indexes in the discrimination of orbital lymphoma and IOIP. The logistic model defined by ADC 10 and involvement of orbit preseptal space was built, which achieved an AUC of 0.939, with sensitivity of 77.30% and specificity of 94.40%. Conventional MRI feature of involvement of orbit preseptal space and ADC histogram parameter of ADC 10 are valuable in differential diagnosis of orbital lymphoma and IOIP.

An ERTS multispectral scanner experiment for mapping iron compounds

NASA Technical Reports Server (NTRS)

Vincent, R. K. (Principal Investigator)

1972-01-01

There are no author-identified significant results in this report. An experimental plan for enhancing spectral features related to the chemical composition of geological targets in ERTS multispectral scanner data is described. The experiment is designed to produce visible-reflective infrared ratio images from ERTS-1 data. Iron compounds are promising remote sensing targets because they display prominent spectral features in the visible-reflective infrared wavelength region and are geologically significant. The region selected for this ERTS experiment is the southern end of the Wind River Range in Wyoming. If this method proves successful it should prove useful for regional geologic mapping, mineralogical exploration, and soil mapping. It may also be helpful to ERTS users in scientific disciplines other than geology, especially to those concerned with targets composed of mixtures of live vegetation and soil or rock.

Biosynthesis of 8-O-methylated benzoxazinoid defense compounds in maize

USDA-ARS?s Scientific Manuscript database

Benzoxazinoids are important defense compounds in grasses. Here, we investigated the biosynthesis and biological roles of the 8-O-methylated benzoxazinoids, DIM2BOA-Glc and HDM2BOA-Glc. Using quantitative trait locus mapping and heterologous expression, we identified a 2-oxoglutarate-dependent dioxy...

QTL and candidate gene mapping for polyphenolic composition in apple fruit

PubMed Central

2012-01-01

Background The polyphenolic products of the phenylpropanoid pathway, including proanthocyanidins, anthocyanins and flavonols, possess antioxidant properties that may provide health benefits. To investigate the genetic architecture of control of their biosynthesis in apple fruit, various polyphenolic compounds were quantified in progeny from a 'Royal Gala' × 'Braeburn' apple population segregating for antioxidant content, using ultra high performance liquid chromatography of extracts derived from fruit cortex and skin. Results Construction of genetic maps for 'Royal Gala' and 'Braeburn' enabled detection of 79 quantitative trait loci (QTL) for content of 17 fruit polyphenolic compounds. Seven QTL clusters were stable across two years of harvest and included QTLs for content of flavanols, flavonols, anthocyanins and hydroxycinnamic acids. Alignment of the parental genetic maps with the apple whole genome sequence in silico enabled screening for co-segregation with the QTLs of a range of candidate genes coding for enzymes in the polyphenolic biosynthetic pathway. This co-location was confirmed by genetic mapping of markers derived from the gene sequences. Leucoanthocyanidin reductase (LAR1) co-located with a QTL cluster for the fruit flavanols catechin, epicatechin, procyanidin dimer and five unknown procyanidin oligomers identified near the top of linkage group (LG) 16, while hydroxy cinnamate/quinate transferase (HCT/HQT) co-located with a QTL for chlorogenic acid concentration mapping near the bottom of LG 17. Conclusion We conclude that LAR1 and HCT/HQT are likely to influence the concentration of these compounds in apple fruit and provide useful allele-specific markers for marker assisted selection of trees bearing fruit with healthy attributes. PMID:22269060

A three-dimensional spatial mapping approach to quantify fine-scale heterogeneity among leaves within canopies1

PubMed Central

Wingfield, Jenna L.; Ruane, Lauren G.; Patterson, Joshua D.

2017-01-01

Premise of the study: The three-dimensional structure of tree canopies creates environmental heterogeneity, which can differentially influence the chemistry, morphology, physiology, and/or phenology of leaves. Previous studies that subdivide canopy leaves into broad categories (i.e., “upper/lower”) fail to capture the differences in microenvironments experienced by leaves throughout the three-dimensional space of a canopy. Methods: We use a three-dimensional spatial mapping approach based on spherical polar coordinates to examine the fine-scale spatial distributions of photosynthetically active radiation (PAR) and the concentration of ultraviolet (UV)-absorbing compounds (A300) among leaves within the canopies of black mangroves (Avicennia germinans). Results: Linear regressions revealed that interior leaves received less PAR and produced fewer UV-absorbing compounds than leaves on the exterior of the canopy. By allocating more UV-absorbing compounds to the leaves on the exterior of the canopy, black mangroves may be maximizing UV-protection while minimizing biosynthesis of UV-absorbing compounds. Discussion: Three-dimensional spatial mapping provides an inexpensive and portable method to detect fine-scale differences in environmental and biological traits within canopies. We used it to understand the relationship between PAR and A300, but the same approach can also be used to identify traits associated with the spatial distribution of herbivores, pollinators, and pathogens. PMID:29188145

A comparison of rule-based and machine learning approaches for classifying patient portal messages.

PubMed

Cronin, Robert M; Fabbri, Daniel; Denny, Joshua C; Rosenbloom, S Trent; Jackson, Gretchen Purcell

2017-09-01

Secure messaging through patient portals is an increasingly popular way that consumers interact with healthcare providers. The increasing burden of secure messaging can affect clinic staffing and workflows. Manual management of portal messages is costly and time consuming. Automated classification of portal messages could potentially expedite message triage and delivery of care. We developed automated patient portal message classifiers with rule-based and machine learning techniques using bag of words and natural language processing (NLP) approaches. To evaluate classifier performance, we used a gold standard of 3253 portal messages manually categorized using a taxonomy of communication types (i.e., main categories of informational, medical, logistical, social, and other communications, and subcategories including prescriptions, appointments, problems, tests, follow-up, contact information, and acknowledgement). We evaluated our classifiers' accuracies in identifying individual communication types within portal messages with area under the receiver-operator curve (AUC). Portal messages often contain more than one type of communication. To predict all communication types within single messages, we used the Jaccard Index. We extracted the variables of importance for the random forest classifiers. The best performing approaches to classification for the major communication types were: logistic regression for medical communications (AUC: 0.899); basic (rule-based) for informational communications (AUC: 0.842); and random forests for social communications and logistical communications (AUCs: 0.875 and 0.925, respectively). The best performing classification approach of classifiers for individual communication subtypes was random forests for Logistical-Contact Information (AUC: 0.963). The Jaccard Indices by approach were: basic classifier, Jaccard Index: 0.674; Naïve Bayes, Jaccard Index: 0.799; random forests, Jaccard Index: 0.859; and logistic regression, Jaccard Index: 0.861. For medical communications, the most predictive variables were NLP concepts (e.g., Temporal_Concept, which maps to 'morning', 'evening' and Idea_or_Concept which maps to 'appointment' and 'refill'). For logistical communications, the most predictive variables contained similar numbers of NLP variables and words (e.g., Telephone mapping to 'phone', 'insurance'). For social and informational communications, the most predictive variables were words (e.g., social: 'thanks', 'much', informational: 'question', 'mean'). This study applies automated classification methods to the content of patient portal messages and evaluates the application of NLP techniques on consumer communications in patient portal messages. We demonstrated that random forest and logistic regression approaches accurately classified the content of portal messages, although the best approach to classification varied by communication type. Words were the most predictive variables for classification of most communication types, although NLP variables were most predictive for medical communication types. As adoption of patient portals increases, automated techniques could assist in understanding and managing growing volumes of messages. Further work is needed to improve classification performance to potentially support message triage and answering. Copyright © 2017 Elsevier B.V. All rights reserved.

Microcomputer Simulation of Nonlinear Systems: From Oscillations to Chaos.

ERIC Educational Resources Information Center

Raw, Cecil J. G.; Stacey, Larry M.

1989-01-01

Presents two short microcomputer programs which illustrate features of nonlinear dynamics, including steady states, periodic oscillations, period doubling, and chaos. Logistic maps are explained, inclusion in undergraduate chemistry and physics courses to teach nonlinear equations is discussed, and applications in social and biological sciences…

Recurrence-plot-based measures of complexity and their application to heart-rate-variability data.

PubMed

Marwan, Norbert; Wessel, Niels; Meyerfeldt, Udo; Schirdewan, Alexander; Kurths, Jürgen

2002-08-01

The knowledge of transitions between regular, laminar or chaotic behaviors is essential to understand the underlying mechanisms behind complex systems. While several linear approaches are often insufficient to describe such processes, there are several nonlinear methods that, however, require rather long time observations. To overcome these difficulties, we propose measures of complexity based on vertical structures in recurrence plots and apply them to the logistic map as well as to heart-rate-variability data. For the logistic map these measures enable us not only to detect transitions between chaotic and periodic states, but also to identify laminar states, i.e., chaos-chaos transitions. The traditional recurrence quantification analysis fails to detect the latter transitions. Applying our measures to the heart-rate-variability data, we are able to detect and quantify the laminar phases before a life-threatening cardiac arrhythmia occurs thereby facilitating a prediction of such an event. Our findings could be of importance for the therapy of malignant cardiac arrhythmias.

Optical image encryption scheme with multiple light paths based on compressive ghost imaging

NASA Astrophysics Data System (ADS)

Zhu, Jinan; Yang, Xiulun; Meng, Xiangfeng; Wang, Yurong; Yin, Yongkai; Sun, Xiaowen; Dong, Guoyan

2018-02-01

An optical image encryption method with multiple light paths is proposed based on compressive ghost imaging. In the encryption process, M random phase-only masks (POMs) are generated by means of logistic map algorithm, and these masks are then uploaded to the spatial light modulator (SLM). The collimated laser light is divided into several beams by beam splitters as it passes through the SLM, and the light beams illuminate the secret images, which are converted into sparse images by discrete wavelet transform beforehand. Thus, the secret images are simultaneously encrypted into intensity vectors by ghost imaging. The distances between the SLM and secret images vary and can be used as the main keys with original POM and the logistic map algorithm coefficient in the decryption process. In the proposed method, the storage space can be significantly decreased and the security of the system can be improved. The feasibility, security and robustness of the method are further analysed through computer simulations.

Scanning genomic areas under selection sweep and association mapping as tools to identify horticultural important genes in watermelon

USDA-ARS?s Scientific Manuscript database

Watermelon (Citrullus lanatus var. lanatus) contains 88% water, sugars, and several important health-related compounds, including lycopene, citrulline, arginine, and glutathione. The current genetic diversity study uses microsatellites with known map positions to identify genomic regions that under...

Critical fluctuations near the pitchfork bifurcations of period-doubling maps

NASA Astrophysics Data System (ADS)

Noble, Andrew; Karimeddiny, Saba; Hastings, Alan; Machta, Jonathan

2015-03-01

Period-doubling maps, such as the logistic map, have been a subject of intense study in both physics and biology. The period-doubling route to chaos proceeds through a sequence of supercritical pitchfork bifurcations. Here, motivated by applications to population ecology, we investigate the asymptotic behavior of period-doubling bifurcations subject to environmental or demographic noise. We demonstrate, analytically, that fluctuations in the vicinity of each noisy pitchfork bifurcation are described by finite-size mean-field theory. Our results establish an exact correspondence between the bifurcations of far-from-equilibrium systems and the mean-field critical phenomena of equilibrium systems. This material is based upon work supported by the National Science Foundation under INSPIRE Grant No. 1344187.

Landslide susceptibility mapping using decision-tree based CHi-squared automatic interaction detection (CHAID) and Logistic regression (LR) integration

NASA Astrophysics Data System (ADS)

Althuwaynee, Omar F.; Pradhan, Biswajeet; Ahmad, Noordin

2014-06-01

This article uses methodology based on chi-squared automatic interaction detection (CHAID), as a multivariate method that has an automatic classification capacity to analyse large numbers of landslide conditioning factors. This new algorithm was developed to overcome the subjectivity of the manual categorization of scale data of landslide conditioning factors, and to predict rainfall-induced susceptibility map in Kuala Lumpur city and surrounding areas using geographic information system (GIS). The main objective of this article is to use CHi-squared automatic interaction detection (CHAID) method to perform the best classification fit for each conditioning factor, then, combining it with logistic regression (LR). LR model was used to find the corresponding coefficients of best fitting function that assess the optimal terminal nodes. A cluster pattern of landslide locations was extracted in previous study using nearest neighbor index (NNI), which were then used to identify the clustered landslide locations range. Clustered locations were used as model training data with 14 landslide conditioning factors such as; topographic derived parameters, lithology, NDVI, land use and land cover maps. Pearson chi-squared value was used to find the best classification fit between the dependent variable and conditioning factors. Finally the relationship between conditioning factors were assessed and the landslide susceptibility map (LSM) was produced. An area under the curve (AUC) was used to test the model reliability and prediction capability with the training and validation landslide locations respectively. This study proved the efficiency and reliability of decision tree (DT) model in landslide susceptibility mapping. Also it provided a valuable scientific basis for spatial decision making in planning and urban management studies.

Association of nitrogen compounds in drinking water with incidence of esophageal squamous cell carcinoma in Shexian, China.

PubMed

Zhang, Nan; Yu, Cao; Wen, Denggui; Chen, Jun; Ling, Yiwei; Terajima, Kenshi; Akazawa, Kohei; Shan, Baoen; Wang, Shijie

2012-01-01

The incidence of esophageal squamous cell carcinoma (ESCC), which is the eighth most common malignancy worldwide, is highest in China. The purpose of this study was to investigate the association between nitrogen compounds in drinking water with the incidence of ESCC by geographical spatial analysis. The incidence of ESCC is high in Shexian county, China, and environmental factors, particularly nitrogen-contaminated drinking water, are the main suspected risk factors. This study focuses on three nitrogen compounds in drinking water, namely, nitrates, nitrites, and ammonia, all of which are derived mainly from domestic garbage and agricultural fertilizer. The study surveyed 48 villages in the Shexian area with a total population of 54,716 (661 adults with ESCC and 54,055 non-cancer subjects). Hot-spot analysis was used to identify spatial clusters with a high incidence of ESCC and a high concentration of nitrogen compounds. Logistic regression analysis was used to detect risk factors for ESCC incidence. Most areas with high concentrations of nitrate nitrogen in drinking water had a high incidence of ESCC. Correlation analysis revealed a significant positive relationship between nitrate concentration and ESCC (P = 0.01). Logistic regression analysis also confirmed that nitrate nitrogen has a significantly higher odds ratio. The results indicate that nitrate nitrogen is associated with ESCC incidence in Shexian county. In conclusion, high concentrations of nitrate nitrogen in drinking water may be a significant risk factor for the incidence of ESCC.

Chaotic Behaviour of a Driven P-N Junction

NASA Astrophysics Data System (ADS)

Perez, Jose Maria

The chaotic behavior of a driven p-n junction is experimentally examined. Bifurcation diagrams for the system are measured, showing period doubling bifurcations up to f/32, onset of chaos, reverse bifurcations of chaotic bands, and periodic windows. Some of the measured bifurcation diagrams are similar to the bifurcation diagram of the logistic map x(,n+1) = (lamda)x(,n)(1 - x(,n)). A return map is also measured showing approximately a one-dimensional map with a single extremum at low driving voltages. The intermittency route to chaos is experimentally observed to occur near a tangent bifurcation as the system approaches a period 5 window at (lamda) = (lamda)(,5). Data are presented for the dependence of the average laminar length on (epsilon) = (lamda)(,5) - (lamda), and for the probability distribution P(l) vs. l. The effects of additive stochastic noise on period doubling, chaos, windows, and intermittency are examined and are found to agree with the logistic model and universal predictions. Three examples of crisis of the attractor are observed. The crises occur when an unstable orbit intersects the chaotic attractor. A period adding sequence is reported in which wide periodic windows of period 2, 3, 4, ... are observed for increasing driving voltage. The initial period doubling cascade and the period adding sequence are compared to two theoretical models, with reasonable success.

A simple statistical method for analyzing flood susceptibility with incorporating rainfall and impervious surface

NASA Astrophysics Data System (ADS)

Chiang, Shou-Hao; Chen, Chi-Farn

2016-04-01

Flood, as known as the most frequent natural hazard in Taiwan, has induced severe damages of residents and properties in urban areas. The flood risk is even more severe in Tainan since 1990s, with the significant urban development over recent decades. Previous studies have indicated that the characteristics and the vulnerability of flood are affected by the increase of impervious surface area (ISA) and the changing climate condition. Tainan City, in southern Taiwan is selected as the study area. This study uses logistic regression to functionalize the relationship between rainfall variables, ISA and historical flood events. Specifically, rainfall records from 2001 to 2014 were collected and mapped, and Landsat images of year 2001, 2004, 2007, 2010 and 2014 were used to generate the ISA with SVM (support vector machine) classifier. The result shows that rainfall variables and ISA are significantly correlated to the flood occurrence in Tainan City. With applying the logistic function, the likelihood of flood occurrence can be estimated and mapped over the study area. This study suggests the method is simple and feasible for rapid flood susceptibility mapping, when real-time rainfall observations can be available, and it has potential for future flood assessment, with incorporating climate change projections and urban growth prediction.

cis-fumagillin, a new methionine aminopeptidase (type 2) inhibitor produced by Penicillium sp. F2757.

PubMed

Kwon, J Y; Jeong, H W; Kim, H K; Kang, K H; Chang, Y H; Bae, K S; Choi, J D; Lee, U C; Son, K H; Kwon, B M

2000-08-01

Selective inhibition against the yeast MetAP2 (methionine aminopeptidase type 2) was detected in the fermentation broth of a fungus F2757 that was later identified as Penicillium janczewskii. A new compound cis-fumagillin methyl ester (1) was isolated from the diazomethane treated fermentation extracts together with the known compound fumagillin methyl ester (2). The cis-fumagillin methyl ester, a stereoisomer of fumagillin methyl ester at the C2'-C3' position of the aliphatic side chain, selectively inhibited growth of the map1 mutant yeast strain (MetAP1 deletion strain) at a concentration as low as 1 ng. However, the wild type yeast w303 and the mutant map2 (MetAP2 deleted) strains were resistant up to 10 microg of the compound. In enzyme experiments, compound 1 inhibited the MetAP2 with an IC50 value of 6.3 nM, but it did not inhibit the MetAP1 (IC50 >200 microM). Compound 2 also inhibited the MetAP2 with an IC50 value of 9.2 nM and 105 microM against MetAP1.

Using Logistic Regression to Predict the Probability of Debris Flows in Areas Burned by Wildfires, Southern California, 2003-2006

USGS Publications Warehouse

Rupert, Michael G.; Cannon, Susan H.; Gartner, Joseph E.; Michael, John A.; Helsel, Dennis R.

2008-01-01

Logistic regression was used to develop statistical models that can be used to predict the probability of debris flows in areas recently burned by wildfires by using data from 14 wildfires that burned in southern California during 2003-2006. Twenty-eight independent variables describing the basin morphology, burn severity, rainfall, and soil properties of 306 drainage basins located within those burned areas were evaluated. The models were developed as follows: (1) Basins that did and did not produce debris flows soon after the 2003 to 2006 fires were delineated from data in the National Elevation Dataset using a geographic information system; (2) Data describing the basin morphology, burn severity, rainfall, and soil properties were compiled for each basin. These data were then input to a statistics software package for analysis using logistic regression; and (3) Relations between the occurrence or absence of debris flows and the basin morphology, burn severity, rainfall, and soil properties were evaluated, and five multivariate logistic regression models were constructed. All possible combinations of independent variables were evaluated to determine which combinations produced the most effective models, and the multivariate models that best predicted the occurrence of debris flows were identified. Percentage of high burn severity and 3-hour peak rainfall intensity were significant variables in all models. Soil organic matter content and soil clay content were significant variables in all models except Model 5. Soil slope was a significant variable in all models except Model 4. The most suitable model can be selected from these five models on the basis of the availability of independent variables in the particular area of interest and field checking of probability maps. The multivariate logistic regression models can be entered into a geographic information system, and maps showing the probability of debris flows can be constructed in recently burned areas of southern California. This study demonstrates that logistic regression is a valuable tool for developing models that predict the probability of debris flows occurring in recently burned landscapes.

Knowledge-based commodity distribution planning

NASA Technical Reports Server (NTRS)

Saks, Victor; Johnson, Ivan

1994-01-01

This paper presents an overview of a Decision Support System (DSS) that incorporates Knowledge-Based (KB) and commercial off the shelf (COTS) technology components. The Knowledge-Based Logistics Planning Shell (KBLPS) is a state-of-the-art DSS with an interactive map-oriented graphics user interface and powerful underlying planning algorithms. KBLPS was designed and implemented to support skilled Army logisticians to prepare and evaluate logistics plans rapidly, in order to support corps-level battle scenarios. KBLPS represents a substantial advance in graphical interactive planning tools, with the inclusion of intelligent planning algorithms that provide a powerful adjunct to the planning skills of commodity distribution planners.

An iterative approach for compound detection in an unknown pharmaceutical drug product: Application on Raman microscopy.

PubMed

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

2016-02-20

Raman chemical imaging provides both spectral and spatial information on a pharmaceutical drug product. Even if the main objective of chemical imaging is to obtain distribution maps of each formulation compound, identification of pure signals in a mixture dataset remains of huge interest. In this work, an iterative approach is proposed to identify the compounds in a pharmaceutical drug product, assuming that the chemical composition of the product is not known by the analyst and that a low dose compound can be present in the studied medicine. The proposed approach uses a spectral library, spectral distances and orthogonal projections to iteratively detect pure compounds of a tablet. Since the proposed method is not based on variance decomposition, it should be well adapted for a drug product which contains a low dose product, interpreted as a compound located in few pixels and with low spectral contributions. The method is tested on a tablet specifically manufactured for this study with one active pharmaceutical ingredient and five excipients. A spectral library, constituted of 24 pure pharmaceutical compounds, is used as a reference spectral database. Pure spectra of active and excipients, including a modification of the crystalline form and a low dose compound, are iteratively detected. Once the pure spectra are identified, multivariate curve resolution-alternating least squares process is performed on the data to provide distribution maps of each compound in the studied sample. Distributions of the two crystalline forms of active and the five excipients were in accordance with the theoretical formulation. Copyright © 2015 Elsevier B.V. All rights reserved.

Perceptual mapping of chemesthetic stimuli in naïve assessors

PubMed Central

Byrnes, Nadia; Nestrud, Michael A.; Hayes, John E.

2015-01-01

Chemesthetic compounds, responsible for sensations such as burning, cooling, and astringency, are difficult stimuli to work with, especially when the evaluation task requires retasting. Here, we developed a protocol by which chemesthetic compounds can be assessed using sorting. We compared the performance of two cohorts of untrained assessors on this task, one with nose clips and the other without. Similarity matrices were analyzed using multidimensional scaling (MDS) to produce perceptual maps for the two cohorts. Overall, the groupings from the nose open cohort tended to follow a biological basis, consistent with previous findings that suggest compounds that activate a common receptor will elicit similar sensations. The nose-open and nose-pinched cohorts generated significantly different maps. The nose-pinched cohort had a higher variance in the MDS solution than the nose-open group. While the nose-open cohort generated seven clusters, the nose-pinched cohort generated only two clusters, seemingly based on the ready identification of chemesthetic sensations or not. There was less consensus regarding the attributes used to describe the samples in the nose-pinched cohort than in the nose-open cohort as well, as this cohort collectively generated more attributes but fewer were significant in regression. PMID:26236421

Template-based combinatorial enumeration of virtual compound libraries for lipids

PubMed Central

2012-01-01

A variety of software packages are available for the combinatorial enumeration of virtual libraries for small molecules, starting from specifications of core scaffolds with attachments points and lists of R-groups as SMILES or SD files. Although SD files include atomic coordinates for core scaffolds and R-groups, it is not possible to control 2-dimensional (2D) layout of the enumerated structures generated for virtual compound libraries because different packages generate different 2D representations for the same structure. We have developed a software package called LipidMapsTools for the template-based combinatorial enumeration of virtual compound libraries for lipids. Virtual libraries are enumerated for the specified lipid abbreviations using matching lists of pre-defined templates and chain abbreviations, instead of core scaffolds and lists of R-groups provided by the user. 2D structures of the enumerated lipids are drawn in a specific and consistent fashion adhering to the framework for representing lipid structures proposed by the LIPID MAPS consortium. LipidMapsTools is lightweight, relatively fast and contains no external dependencies. It is an open source package and freely available under the terms of the modified BSD license. PMID:23006594

Template-based combinatorial enumeration of virtual compound libraries for lipids.

PubMed

Sud, Manish; Fahy, Eoin; Subramaniam, Shankar

2012-09-25

A variety of software packages are available for the combinatorial enumeration of virtual libraries for small molecules, starting from specifications of core scaffolds with attachments points and lists of R-groups as SMILES or SD files. Although SD files include atomic coordinates for core scaffolds and R-groups, it is not possible to control 2-dimensional (2D) layout of the enumerated structures generated for virtual compound libraries because different packages generate different 2D representations for the same structure. We have developed a software package called LipidMapsTools for the template-based combinatorial enumeration of virtual compound libraries for lipids. Virtual libraries are enumerated for the specified lipid abbreviations using matching lists of pre-defined templates and chain abbreviations, instead of core scaffolds and lists of R-groups provided by the user. 2D structures of the enumerated lipids are drawn in a specific and consistent fashion adhering to the framework for representing lipid structures proposed by the LIPID MAPS consortium. LipidMapsTools is lightweight, relatively fast and contains no external dependencies. It is an open source package and freely available under the terms of the modified BSD license.

32 CFR Appendix F to Part 286 - DoD Freedom of Information Act Program Components

Code of Federal Regulations, 2010 CFR

2010-07-01

... Defense Information Systems Agency Defense Contract Audit Agency Defense Intelligence Agency Defense Security Service Defense Logistics Agency National Imagery and Mapping Agency Defense Special Weapons Agency National Security Agency Office of the Inspector General, Department of Defense Defense Finance...

Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines.

PubMed

Tian, Sheng; Li, Youyong; Wang, Junmei; Xu, Xiaojie; Xu, Lei; Wang, Xiaohong; Chen, Lei; Hou, Tingjun

2013-01-21

In order to better understand the structural features of natural compounds from traditional Chinese medicines, the scaffold architectures of drug-like compounds in MACCS-II Drug Data Report (MDDR), non-drug-like compounds in Available Chemical Directory (ACD), and natural compounds in Traditional Chinese Medicine Compound Database (TCMCD) were explored and compared. First, the different scaffolds were extracted from ACD, MDDR and TCMCD by using three scaffold representations, including Murcko frameworks, Scaffold Tree, and ring systems with different complexity and side chains. Then, by examining the accumulative frequency of the scaffolds in each dataset, we observed that the Level 1 scaffolds of the Scaffold Tree offer advantages over the other scaffold architectures to represent the scaffold diversity of the compound libraries. By comparing the similarity of the scaffold architectures presented in MDDR, ACD and TCMCD, structural overlaps were observed not only between MDDR and TCMCD but also between MDDR and ACD. Finally, Tree Maps were used to cluster the Level 1 scaffolds of the Scaffold Tree and visualize the scaffold space of the three datasets. The analysis of the scaffold architectures of MDDR, ACD and TCMCD shows that, on average, drug-like molecules in MDDR have the highest diversity while natural compounds in TCMCD have the highest complexity. According to the Tree Maps, it can be observed that the Level 1 scaffolds present in MDDR have higher diversity than those presented in TCMCD and ACD. However, some representative scaffolds in MDDR with high frequency show structural similarities to those in TCMCD and ACD, suggesting that some scaffolds in TCMCD and ACD may be potentially drug-like fragments for fragment-based and de novo drug design.

Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines

PubMed Central

2013-01-01

Background In order to better understand the structural features of natural compounds from traditional Chinese medicines, the scaffold architectures of drug-like compounds in MACCS-II Drug Data Report (MDDR), non-drug-like compounds in Available Chemical Directory (ACD), and natural compounds in Traditional Chinese Medicine Compound Database (TCMCD) were explored and compared. Results First, the different scaffolds were extracted from ACD, MDDR and TCMCD by using three scaffold representations, including Murcko frameworks, Scaffold Tree, and ring systems with different complexity and side chains. Then, by examining the accumulative frequency of the scaffolds in each dataset, we observed that the Level 1 scaffolds of the Scaffold Tree offer advantages over the other scaffold architectures to represent the scaffold diversity of the compound libraries. By comparing the similarity of the scaffold architectures presented in MDDR, ACD and TCMCD, structural overlaps were observed not only between MDDR and TCMCD but also between MDDR and ACD. Finally, Tree Maps were used to cluster the Level 1 scaffolds of the Scaffold Tree and visualize the scaffold space of the three datasets. Conclusion The analysis of the scaffold architectures of MDDR, ACD and TCMCD shows that, on average, drug-like molecules in MDDR have the highest diversity while natural compounds in TCMCD have the highest complexity. According to the Tree Maps, it can be observed that the Level 1 scaffolds present in MDDR have higher diversity than those presented in TCMCD and ACD. However, some representative scaffolds in MDDR with high frequency show structural similarities to those in TCMCD and ACD, suggesting that some scaffolds in TCMCD and ACD may be potentially drug-like fragments for fragment-based and de novo drug design. PMID:23336706

Numerical computation of orbits and rigorous verification of existence of snapback repellers.

PubMed

Peng, Chen-Chang

2007-03-01

In this paper we show how analysis from numerical computation of orbits can be applied to prove the existence of snapback repellers in discrete dynamical systems. That is, we present a computer-assisted method to prove the existence of a snapback repeller of a specific map. The existence of a snapback repeller of a dynamical system implies that it has chaotic behavior [F. R. Marotto, J. Math. Anal. Appl. 63, 199 (1978)]. The method is applied to the logistic map and the discrete predator-prey system.

Genetic and Quantitative Trait Locus Analysis for Bio-Oil Compounds after Fast Pyrolysis in Maize Cobs.

PubMed

Jeffrey, Brandon; Kuzhiyil, Najeeb; de Leon, Natalia; Lübberstedt, Thomas

2016-01-01

Fast pyrolysis has been identified as one of the biorenewable conversion platforms that could be a part of an alternative energy future, but it has not yet received the same attention as cellulosic ethanol in the analysis of genetic inheritance within potential feedstocks such as maize. Ten bio-oil compounds were measured via pyrolysis/gas chromatography-mass spectrometry (Py/GC-MS) in maize cobs. 184 recombinant inbred lines (RILs) of the intermated B73 x Mo17 (IBM) Syn4 population were analyzed in two environments, using 1339 markers, for quantitative trait locus (QTL) mapping. QTL mapping was performed using composite interval mapping with significance thresholds established by 1000 permutations at α = 0.05. 50 QTL were found in total across those ten traits with R2 values ranging from 1.7 to 5.8%, indicating a complex quantitative inheritance of these traits.

An authenticated image encryption scheme based on chaotic maps and memory cellular automata

NASA Astrophysics Data System (ADS)

Bakhshandeh, Atieh; Eslami, Ziba

2013-06-01

This paper introduces a new image encryption scheme based on chaotic maps, cellular automata and permutation-diffusion architecture. In the permutation phase, a piecewise linear chaotic map is utilized to confuse the plain-image and in the diffusion phase, we employ the Logistic map as well as a reversible memory cellular automata to obtain an efficient and secure cryptosystem. The proposed method admits advantages such as highly secure diffusion mechanism, computational efficiency and ease of implementation. A novel property of the proposed scheme is its authentication ability which can detect whether the image is tampered during the transmission or not. This is particularly important in applications where image data or part of it contains highly sensitive information. Results of various analyses manifest high security of this new method and its capability for practical image encryption.

The Biomes of Homewood: Interactive Map Software

ERIC Educational Resources Information Center

Shingles, Richard; Feist, Theron; Brosnan, Rae

2005-01-01

To build a learning community, the General Biology faculty at Johns Hopkins University conducted collaborative, problem-based learning assignments outside of class in which students are assigned to specific areas on campus, and gather and report data about their area. To overcome the logistics challenges presented by conducting such assignments in…

Compress compound images in H.264/MPGE-4 AVC by exploiting spatial correlation.

PubMed

Lan, Cuiling; Shi, Guangming; Wu, Feng

2010-04-01

Compound images are a combination of text, graphics and natural image. They present strong anisotropic features, especially on the text and graphics parts. These anisotropic features often render conventional compression inefficient. Thus, this paper proposes a novel coding scheme from the H.264 intraframe coding. In the scheme, two new intramodes are developed to better exploit spatial correlation in compound images. The first is the residual scalar quantization (RSQ) mode, where intrapredicted residues are directly quantized and coded without transform. The second is the base colors and index map (BCIM) mode that can be viewed as an adaptive color quantization. In this mode, an image block is represented by several representative colors, referred to as base colors, and an index map to compress. Every block selects its coding mode from two new modes and the previous intramodes in H.264 by rate-distortion optimization (RDO). Experimental results show that the proposed scheme improves the coding efficiency even more than 10 dB at most bit rates for compound images and keeps a comparable efficient performance to H.264 for natural images.

Effects of estrogen receptor modulators on cytoskeletal proteins in the central nervous system.

PubMed

Segura-Uribe, Julia J; Pinto-Almazán, Rodolfo; Coyoy-Salgado, Angélica; Fuentes-Venado, Claudia E; Guerra-Araiza, Christian

2017-08-01

Estrogen receptor modulators are compounds of interest because of their estrogenic agonistic/antagonistic effects and tissue specificity. These compounds have many clinical applications, particularly for breast cancer treatment and osteoporosis in postmenopausal women, as well as for the treatment of climacteric symptoms. Similar to estrogens, neuroprotective effects of estrogen receptor modulators have been described in different models. However, the mechanisms of action of these compounds in the central nervous system have not been fully described. We conducted a systematic search to investigate the effects of estrogen receptor modulators in the central nervous system, focusing on the modulation of cytoskeletal proteins. We found that raloxifene, tamoxifen, and tibolone modulate some cytoskeletal proteins such as tau, microtuble-associated protein 1 (MAP1), MAP2, neurofilament 38 (NF38) by different mechanisms of action and at different levels: neuronal microfilaments, intermediate filaments, and microtubule-associated proteins. Finally, we emphasize the importance of the study of these compounds in the treatment of neurodegenerative diseases since they present the benefits of estrogens without their side effects.

Effects of estrogen receptor modulators on cytoskeletal proteins in the central nervous system

PubMed Central

Segura-Uribe, Julia J.; Pinto-Almazán, Rodolfo; Coyoy-Salgado, Angélica; Fuentes-Venado, Claudia E.; Guerra-Araiza, Christian

2017-01-01

Estrogen receptor modulators are compounds of interest because of their estrogenic agonistic/antagonistic effects and tissue specificity. These compounds have many clinical applications, particularly for breast cancer treatment and osteoporosis in postmenopausal women, as well as for the treatment of climacteric symptoms. Similar to estrogens, neuroprotective effects of estrogen receptor modulators have been described in different models. However, the mechanisms of action of these compounds in the central nervous system have not been fully described. We conducted a systematic search to investigate the effects of estrogen receptor modulators in the central nervous system, focusing on the modulation of cytoskeletal proteins. We found that raloxifene, tamoxifen, and tibolone modulate some cytoskeletal proteins such as tau, microtuble-associated protein 1 (MAP1), MAP2, neurofilament 38 (NF38) by different mechanisms of action and at different levels: neuronal microfilaments, intermediate filaments, and microtubule-associated proteins. Finally, we emphasize the importance of the study of these compounds in the treatment of neurodegenerative diseases since they present the benefits of estrogens without their side effects. PMID:28966632

Distribution and visualisation of chlorhexidine within the skin using ToF-SIMS: a potential platform for the design of more efficacious skin antiseptic formulations.

PubMed

Judd, Amy M; Scurr, David J; Heylings, Jon R; Wan, Ka-Wai; Moss, Gary P

2013-07-01

In order to increase the efficacy of a topically applied antimicrobial compound the permeation profile, localisation and mechanism of action within the skin must first be investigated. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to visualise the distribution of a conventional antimicrobial compound, chlorhexidine digluconate, within porcine skin without the need for laborious preparation, radio-labels or fluorescent tags. High mass resolution and high spatial resolution mass spectra and chemical images were achieved when analysing chlorhexidine digluconate treated cryo-sectioned porcine skin sections by ToF-SIMS. The distribution of chlorhexidine digluconate was mapped throughout the skin sections and our studies indicate that the compound appears to be localised within the stratum corneum. In parallel, tape strips taken from chlorhexidine digluconate treated porcine skin were analysed by ToF-SIMS to support the distribution profile obtained from the skin sections. ToF-SIMS can act as a powerful complementary technique to map the distribution of topically applied compounds within the skin.

Modeling of geogenic radon in Switzerland based on ordered logistic regression.

PubMed

Kropat, Georg; Bochud, François; Murith, Christophe; Palacios Gruson, Martha; Baechler, Sébastien

2017-01-01

The estimation of the radon hazard of a future construction site should ideally be based on the geogenic radon potential (GRP), since this estimate is free of anthropogenic influences and building characteristics. The goal of this study was to evaluate terrestrial gamma dose rate (TGD), geology, fault lines and topsoil permeability as predictors for the creation of a GRP map based on logistic regression. Soil gas radon measurements (SRC) are more suited for the estimation of GRP than indoor radon measurements (IRC) since the former do not depend on ventilation and heating habits or building characteristics. However, SRC have only been measured at a few locations in Switzerland. In former studies a good correlation between spatial aggregates of IRC and SRC has been observed. That's why we used IRC measurements aggregated on a 10 km × 10 km grid to calibrate an ordered logistic regression model for geogenic radon potential (GRP). As predictors we took into account terrestrial gamma doserate, regrouped geological units, fault line density and the permeability of the soil. The classification success rate of the model results to 56% in case of the inclusion of all 4 predictor variables. Our results suggest that terrestrial gamma doserate and regrouped geological units are more suited to model GRP than fault line density and soil permeability. Ordered logistic regression is a promising tool for the modeling of GRP maps due to its simplicity and fast computation time. Future studies should account for additional variables to improve the modeling of high radon hazard in the Jura Mountains of Switzerland. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Geospatial techniques for allocating vulnerability zoning of geohazards along the Karakorum Highway, Gilgit-Baltistan-Pakistan

NASA Astrophysics Data System (ADS)

Khan, K. M.; Rashid, S.; Yaseen, M.; Ikram, M.

2016-12-01

The Karakoram Highway (KKH) 'eighth wonder of the world', constructed and completed by the consent of Pakistan and China in 1979 as a Friendship Highway. It connect Gilgit-Baltistan, a strategically prominent region of Pakistan, with Xinjiang region in China. Due to manifold geology/geomorphology, soil formation, steep slopes, climate change well as unsustainable anthropogenic activities, still, KKH is remarkably vulnerable to natural hazards i.e. land subsistence, landslides, erosion, rock fall, floods, debris flows, cyclical torrential rainfall and snowfall, lake outburst etc. Most of the time these geohazard's damaging effects jeopardized the life in the region. To ascertain the nature and frequency of the disaster and vulnerability zoning, a rating and management (logistic) analysis were made to investigate the spatiotemporal sharing of the natural hazard. The substantial dynamics of the physiograpy, geology, geomorphology, soils and climate were carefully understand while slope, aspect, elevation, profile curvature and rock hardness was calculated by different techniques. To assess the nature and intensity geospatial analysis were conducted and magnitude of every factor was gauged by using logistic regression. Moreover, ever relative variable was integrated in the evaluation process. Logistic regression and geospatial techniques were used to map the geohazard vulnerability zoning (GVZ). The GVZ model findings were endorsed by the reviews of documented hazards in the current years and the precision was realized more than 88.1 %. The study has proved the model authentication by highlighting the comfortable indenture among the vulnerability mapping and past documented hazards. By using a receiver operating characteristic curve, the logistic regression model made satisfactory results. The outcomes will be useful in sustainable land use and infrastructure planning, mainly in high risk zones for reduceing economic damages and community betterment.

MHC class I-associated peptides derive from selective regions of the human genome.

PubMed

Pearson, Hillary; Daouda, Tariq; Granados, Diana Paola; Durette, Chantal; Bonneil, Eric; Courcelles, Mathieu; Rodenbrock, Anja; Laverdure, Jean-Philippe; Côté, Caroline; Mader, Sylvie; Lemieux, Sébastien; Thibault, Pierre; Perreault, Claude

2016-12-01

MHC class I-associated peptides (MAPs) define the immune self for CD8+ T lymphocytes and are key targets of cancer immunosurveillance. Here, the goals of our work were to determine whether the entire set of protein-coding genes could generate MAPs and whether specific features influence the ability of discrete genes to generate MAPs. Using proteogenomics, we have identified 25,270 MAPs isolated from the B lymphocytes of 18 individuals who collectively expressed 27 high-frequency HLA-A,B allotypes. The entire MAP repertoire presented by these 27 allotypes covered only 10% of the exomic sequences expressed in B lymphocytes. Indeed, 41% of expressed protein-coding genes generated no MAPs, while 59% of genes generated up to 64 MAPs, often derived from adjacent regions and presented by different allotypes. We next identified several features of transcripts and proteins associated with efficient MAP production. From these data, we built a logistic regression model that predicts with good accuracy whether a gene generates MAPs. Our results show preferential selection of MAPs from a limited repertoire of proteins with distinctive features. The notion that the MHC class I immunopeptidome presents only a small fraction of the protein-coding genome for monitoring by the immune system has profound implications in autoimmunity and cancer immunology.

MHC class I–associated peptides derive from selective regions of the human genome

PubMed Central

Pearson, Hillary; Granados, Diana Paola; Durette, Chantal; Bonneil, Eric; Courcelles, Mathieu; Rodenbrock, Anja; Laverdure, Jean-Philippe; Côté, Caroline; Thibault, Pierre

2016-01-01

MHC class I–associated peptides (MAPs) define the immune self for CD8+ T lymphocytes and are key targets of cancer immunosurveillance. Here, the goals of our work were to determine whether the entire set of protein-coding genes could generate MAPs and whether specific features influence the ability of discrete genes to generate MAPs. Using proteogenomics, we have identified 25,270 MAPs isolated from the B lymphocytes of 18 individuals who collectively expressed 27 high-frequency HLA-A,B allotypes. The entire MAP repertoire presented by these 27 allotypes covered only 10% of the exomic sequences expressed in B lymphocytes. Indeed, 41% of expressed protein-coding genes generated no MAPs, while 59% of genes generated up to 64 MAPs, often derived from adjacent regions and presented by different allotypes. We next identified several features of transcripts and proteins associated with efficient MAP production. From these data, we built a logistic regression model that predicts with good accuracy whether a gene generates MAPs. Our results show preferential selection of MAPs from a limited repertoire of proteins with distinctive features. The notion that the MHC class I immunopeptidome presents only a small fraction of the protein-coding genome for monitoring by the immune system has profound implications in autoimmunity and cancer immunology. PMID:27841757

Micron Scale Mapping and Depth Profiling of Organic Compounds in Geologic Material: Femtosecond - Laser Desorption Laser Postionization - Mass Spectrometry (fs-LDPI-MS)

NASA Astrophysics Data System (ADS)

Pasterski, M. J.; Barry, G. E.; Hanley, L.; Kenig, F. P. H.

2017-12-01

One of the major challenges within the field of organic geochemistry is to determine whether an observed biomarker signature is indigenous (emplaced during sedimentation), non-indigenous (emplaced after sedimentation) or contaminant (incorporated during sampling, storage or analysis). The challenge of determining the mode of emplacement of an observed biomarker signature is accentuated in analyses of Precambrian samples, and may be an issue upon Mars sample return. Current geochemical techniques (e.g. gas chromatography-mass spectrometry, GC-MS, GC×GC-MS) can determine the composition and structure of the organic constituents of a sample. However, the preparatory steps necessary prior to GC-MS analysis (sample crushing, solvent extraction) make it impossible to determine the precise spatial distribution of organic molecules within rocks and sediments. Here, we will present data from the first set of micron (2-5 μm width × 8 μm depth) resolution MS-images of organic compounds in geologic material. Fs-LDPI-MS was utilized to create MS-images of organic compounds in four samples: (1) an Antarctic igneous dike used as a sample blank; (2) a 93 million year-old (Ma) burrowed carbonate collected near Pueblo, CO; (3) a 164 Ma organic rich mudstone collected in central England; and (4) a 2680 Ma metasediment collected in Timmins, ON, Canada. Prior to this study, all samples had been analyzed via GC-MS to determine the bulk hydrocarbon composition. For this study, thick sections (70-100 μm thick) were prepared in-house using custom-designed clean preparation techniques. Petrographic maps of the thick sections were created to highlight geologic features such as burrows (sample 2), particulate organic matter (sample 3) and hydrothermal veins (sample 4). Fs-LDPI-MS analysis was performed on the mapped thick sections. MS-images of targeted organic compounds were created, and the MS-images were overlain with the petrographic maps to determine the spatial distribution of the organic compounds relative to host rock features. We were able to use the spatial distribution of the targeted organic compounds to unambiguously characterize them as either indigenous, non-indigenous or contaminants. This technique is applicable to the analysis of both Precambrian samples and extraterrestrial material.

Groundwater vulnerability assessment for organic compounds: fuzzy multi-criteria approach for Mexico city.

PubMed

Mazari-Hiriart, Marisa; Cruz-Bello, Gustavo; Bojórquez-Tapia, Luis A; Juárez-Marusich, Lourdes; Alcantar-López, Georgina; Marín, Luis E; Soto-Galera, Ernesto

2006-03-01

This study was based on a groundwater vulnerability assessment approach implemented for the Mexico City Metropolitan Area (MCMA). The approach is based on a fuzzy multi-criteria procedure integrated in a geographic information system. The approach combined the potential contaminant sources with the permeability of geological materials. Initially, contaminant sources were ranked by experts through the Analytic Hierarchy Process. An aggregated contaminant sources map layer was obtained through the simple additive weighting method, using a scalar multiplication of criteria weights and binary maps showing the location of each source. A permeability map layer was obtained through the reclassification of a geology map using the respective hydraulic conductivity values, followed by a linear normalization of these values against a compatible scale. A fuzzy logic procedure was then applied to transform and combine the two map layers, resulting in a groundwater vulnerability map layer of five classes: very low, low, moderate, high, and very high. Results provided a more coherent assessment of the policy-making priorities considered when discussing the vulnerability of groundwater to organic compounds. The very high and high vulnerability areas covered a relatively small area (71 km(2) or 1.5% of the total study area), allowing the identification of the more critical locations. The advantage of a fuzzy logic procedure is that it enables the best possible use to be made of the information available regarding groundwater vulnerability in the MCMA.

Ensemble of ground subsidence hazard maps using fuzzy logic

NASA Astrophysics Data System (ADS)

Park, Inhye; Lee, Jiyeong; Saro, Lee

2014-06-01

Hazard maps of ground subsidence around abandoned underground coal mines (AUCMs) in Samcheok, Korea, were constructed using fuzzy ensemble techniques and a geographical information system (GIS). To evaluate the factors related to ground subsidence, a spatial database was constructed from topographic, geologic, mine tunnel, land use, groundwater, and ground subsidence maps. Spatial data, topography, geology, and various ground-engineering data for the subsidence area were collected and compiled in a database for mapping ground-subsidence hazard (GSH). The subsidence area was randomly split 70/30 for training and validation of the models. The relationships between the detected ground-subsidence area and the factors were identified and quantified by frequency ratio (FR), logistic regression (LR) and artificial neural network (ANN) models. The relationships were used as factor ratings in the overlay analysis to create ground-subsidence hazard indexes and maps. The three GSH maps were then used as new input factors and integrated using fuzzy-ensemble methods to make better hazard maps. All of the hazard maps were validated by comparison with known subsidence areas that were not used directly in the analysis. As the result, the ensemble model was found to be more effective in terms of prediction accuracy than the individual model.

Discriminating between adaptive and carcinogenic liver hypertrophy in rat studies using logistic ridge regression analysis of toxicogenomic data: The mode of action and predictive models.

PubMed

Liu, Shujie; Kawamoto, Taisuke; Morita, Osamu; Yoshinari, Kouichi; Honda, Hiroshi

2017-03-01

Chemical exposure often results in liver hypertrophy in animal tests, characterized by increased liver weight, hepatocellular hypertrophy, and/or cell proliferation. While most of these changes are considered adaptive responses, there is concern that they may be associated with carcinogenesis. In this study, we have employed a toxicogenomic approach using a logistic ridge regression model to identify genes responsible for liver hypertrophy and hypertrophic hepatocarcinogenesis and to develop a predictive model for assessing hypertrophy-inducing compounds. Logistic regression models have previously been used in the quantification of epidemiological risk factors. DNA microarray data from the Toxicogenomics Project-Genomics Assisted Toxicity Evaluation System were used to identify hypertrophy-related genes that are expressed differently in hypertrophy induced by carcinogens and non-carcinogens. Data were collected for 134 chemicals (72 non-hypertrophy-inducing chemicals, 27 hypertrophy-inducing non-carcinogenic chemicals, and 15 hypertrophy-inducing carcinogenic compounds). After applying logistic ridge regression analysis, 35 genes for liver hypertrophy (e.g., Acot1 and Abcc3) and 13 genes for hypertrophic hepatocarcinogenesis (e.g., Asns and Gpx2) were selected. The predictive models built using these genes were 94.8% and 82.7% accurate, respectively. Pathway analysis of the genes indicates that, aside from a xenobiotic metabolism-related pathway as an adaptive response for liver hypertrophy, amino acid biosynthesis and oxidative responses appear to be involved in hypertrophic hepatocarcinogenesis. Early detection and toxicogenomic characterization of liver hypertrophy using our models may be useful for predicting carcinogenesis. In addition, the identified genes provide novel insight into discrimination between adverse hypertrophy associated with carcinogenesis and adaptive hypertrophy in risk assessment. Copyright © 2017 Elsevier Inc. All rights reserved.

MOSAIC: a chemical-genetic interaction data repository and web resource for exploring chemical modes of action.

PubMed

Nelson, Justin; Simpkins, Scott W; Safizadeh, Hamid; Li, Sheena C; Piotrowski, Jeff S; Hirano, Hiroyuki; Yashiroda, Yoko; Osada, Hiroyuki; Yoshida, Minoru; Boone, Charles; Myers, Chad L

2018-04-01

Chemical-genomic approaches that map interactions between small molecules and genetic perturbations offer a promising strategy for functional annotation of uncharacterized bioactive compounds. We recently developed a new high-throughput platform for mapping chemical-genetic (CG) interactions in yeast that can be scaled to screen large compound collections, and we applied this system to generate CG interaction profiles for more than 13 000 compounds. When integrated with the existing global yeast genetic interaction network, CG interaction profiles can enable mode-of-action prediction for previously uncharacterized compounds as well as discover unexpected secondary effects for known drugs. To facilitate future analysis of these valuable data, we developed a public database and web interface named MOSAIC. The website provides a convenient interface for querying compounds, bioprocesses (Gene Ontology terms) and genes for CG information including direct CG interactions, bioprocesses and gene-level target predictions. MOSAIC also provides access to chemical structure information of screened molecules, chemical-genomic profiles and the ability to search for compounds sharing structural and functional similarity. This resource will be of interest to chemical biologists for discovering new small molecule probes with specific modes-of-action as well as computational biologists interested in analysing CG interaction networks. MOSAIC is available at http://mosaic.cs.umn.edu. hisyo@riken.jp, yoshidam@riken.jp, charlie.boone@utoronto.ca or chadm@umn.edu. Supplementary data are available at Bioinformatics online.

Electrophysiological/sonographic mapping of the superficial peroneal nerve to facilitate biopsy under local anaesthesia.

PubMed

Tudose, Andrei; Hogg, Florence R A; Bland, Jeremy D P; Walsh, Daniel C

2017-04-01

The anatomical surface markings for the superficial peroneal nerve have been described and it may be preferred for biopsy in cases of suspected vasculitis as biopsy of the peroneus brevis muscle increases diagnostic yield. The procedure is however unfamiliar to many surgeons and the anatomical variability of the subcutaneous part underestimated. Where the nerve has some preserved sensory nerve action potential it may be mapped pre-operatively, greatly facilitating minimally traumatic biopsy with potential logistical and wound healing advantages. We review the literature relating to the anatomical course of the nerve and present a case illustrating the advantages of pre-operative mapping, given its location in the anterior compartment of the leg 26% of the time.

Intracellular pH of Mycobacterium avium subsp. paratuberculosis following exposure to antimicrobial compounds monitored at the single cell level.

PubMed

Gaggìa, Francesca; Nielsen, Dennis Sandris; Biavati, Bruno; Siegumfeldt, Henrik

2010-07-31

Mycobacterium avium subsp. paratuberculosis (MAP) is the etiologic agent of Johne's disease; moreover, it seems to be implicated in the development of Crohn's disease in humans. In the present study, fluorescence ratio imaging microscopy (FRIM) was used to assess changes in intracellular pH (pH(i)) of one strain of MAP after exposure to nisin and neutralized cell-free supernatants (NCSs) from five bacteriocin-producing lactic acid bacteria (LAB) with known probiotic properties. The evaluation of pH(i) by FRIM provides information about the physiological state of bacterial cells, bypassing the long and problematic incubations needed for methods relying upon growth of MAP such as determination of colony forming units. The FRIM results showed that both nisin and the cell-free supernatant from Lactobacillus plantarum PCA 236 affected the pH(i) of MAP within a few hours. However, monitoring the population for 24h revealed the presence of a subpopulation of cells probably resistant to the antimicrobial compounds tested. Use of nisin and bacteriocin-producing LAB strains could lead to new intervention strategies for the control of MAP based on in vivo application of probiotic cultures as feed additives at farm level. Copyright 2010 Elsevier B.V. All rights reserved.

Low cross-reactivity of T-cell responses against lipids from Mycobacterium bovis and M. avium paratuberculosis during natural infection

PubMed Central

Van Rhijn, Ildiko; Nguyen, Thi Kim Anh; Michel, Anita; Cooper, Dave; Govaerts, Marc; Cheng, Tan-Yun; van Eden, Willem; Moody, D. Branch; Coetzer, Jacobus A. W.; Rutten, Victor; Koets, Ad P.

2011-01-01

Although CD1 proteins are known to present mycobacterial lipid antigens to T cells, there is little understanding of the in vivo behavior of T cells restricted by CD1a, CD1b and CD1c, and the relative immunogenicity and immunodominance of individual lipids within the total array of lipids that comprise a bacterium. Because bovines express multiple CD1 proteins and are natural hosts of Mycobacterium bovis and Mycobacterium avium paratuberculosis (MAP), we used them as a new animal model of CD1 function. Here, we report the surprisingly divergent responses against lipids produced by these two pathogens during infection. Despite considerable overlap in lipid content, only three out of 69 animals cross-react with M. bovis and MAP total lipid preparations. The unidentified immunodominant compound of M. bovis is a hydrophilic compound, whereas the immunodominant lipid of MAP is presented by CD1b and was identified as glucose monomycolate (GMM). The preferential recognition of GMM antigen by MAP-infected cattle may be explained by the higher expression of GMM by MAP than by M. bovis. The bacterial species-specific nature of the CD1-restricted, adaptive T-cell response affects the approach to development of lipid based immunodiagnostic tests. PMID:19688747

Rapid mapping of compound eye visual sampling parameters with FACETS, a highly automated wide-field goniometer.

PubMed

Douglass, John K; Wehling, Martin F

2016-12-01

A highly automated goniometer instrument (called FACETS) has been developed to facilitate rapid mapping of compound eye parameters for investigating regional visual field specializations. The instrument demonstrates the feasibility of analyzing the complete field of view of an insect eye in a fraction of the time required if using non-motorized, non-computerized methods. Faster eye mapping makes it practical for the first time to employ sample sizes appropriate for testing hypotheses about the visual significance of interspecific differences in regional specializations. Example maps of facet sizes are presented from four dipteran insects representing the Asilidae, Calliphoridae, and Stratiomyidae. These maps provide the first quantitative documentation of the frontal enlarged-facet zones (EFZs) that typify asilid eyes, which, together with the EFZs in male Calliphoridae, are likely to be correlated with high-spatial-resolution acute zones. The presence of EFZs contrasts sharply with the almost homogeneous distribution of facet sizes in the stratiomyid. Moreover, the shapes of EFZs differ among species, suggesting functional specializations that may reflect differences in visual ecology. Surveys of this nature can help identify species that should be targeted for additional studies, which will elucidate fundamental principles and constraints that govern visual field specializations and their evolution.

Proceedings of the Annual U.S. Army Operations Research Symposium (13th) , AORS XIII, Held at Fort Lee, Virginia on 29 October - 1 November 1974, Co- Hosted by Army Logistics Center, Fort Lee, Virginia and Army Quartermaster Center and Fort Lee, Virginia. Volume 1

DTIC Science & Technology

1974-11-01

Challenge to Operations Research" 263 Mr. R. H. Adams Mr..F. P. Paca Mr. A. T. Sylvester "A Combat Rates Logistics Analysis...Staff; if we average a tour of duty in the Pentagon as three years, the Army has had eight successive generations of planners and operators in the...doctrine, originally enunciated for Greece and Turkey, brought the Army full tilt into the Military Assistance Program ( MAP ) as this contributed to

Predicting Dural Tear in Compound Depressed Skull Fractures: A Prospective Multicenter Correlational Study.

PubMed

Salia, Shemsedin Musefa; Mersha, Hagos Biluts; Aklilu, Abenezer Tirsit; Baleh, Abat Sahlu; Lund-Johansen, Morten

2018-06-01

Compound depressed skull fracture (DSF) is a neurosurgical emergency. Preoperative knowledge of dural status is indispensable for treatment decision making. This study aimed to determine predictors of dural tear from clinical and imaging characteristics in patients with compound DSF. This prospective, multicenter correlational study in neurosurgical hospitals in Addis Ababa, Ethiopia, included 128 patients operated on from January 1, 2016, to October 31, 2016. Clinical, imaging, and intraoperative findings were evaluated. Univariate and multivariate analyses were used to establish predictors of dural tear. A logistic regression model was developed to predict probability of dural tear. Model validation was done using the receiver operating characteristic curve. Dural tear was seen in 55.5% of 128 patients. Demographics, injury mechanism, clinical presentation, and site of DSF had no significant correlation with dural tear. In univariate and multivariate analyses, depth of fracture depression (odds ratio 1.3, P < 0.001), pneumocephalus (odds ratio 2.8, P = 0.005), and brain contusions/intracerebral hematoma (odds ratio 5.5, P < 0.001) were significantly correlated with dural tear. We developed a logistic regression model (diagnostic test) to calculate probability of dural tear. Using the receiver operating characteristic curve, we determined the cutoff value for a positive test giving the highest accuracy to be 30% with a corresponding sensitivity of 93.0% and specificity of 43.9%. Dural tear in compound DSF can be predicted with 93.0% sensitivity using preoperative findings and may guide treatment decision making in resource-limited settings where risk of extensive cranial surgery outweighs the benefit. Copyright © 2018 Elsevier Inc. All rights reserved.

The role of extreme orbits in the global organization of periodic regions in parameter space for one dimensional maps

NASA Astrophysics Data System (ADS)

da Costa, Diogo Ricardo; Hansen, Matheus; Guarise, Gustavo; Medrano-T, Rene O.; Leonel, Edson D.

2016-04-01

We show that extreme orbits, trajectories that connect local maximum and minimum values of one dimensional maps, play a major role in the parameter space of dissipative systems dictating the organization for the windows of periodicity, hence producing sets of shrimp-like structures. Here we solve three fundamental problems regarding the distribution of these sets and give: (i) their precise localization in the parameter space, even for sets of very high periods; (ii) their local and global distributions along cascades; and (iii) the association of these cascades to complicate sets of periodicity. The extreme orbits are proved to be a powerful indicator to investigate the organization of windows of periodicity in parameter planes. As applications of the theory, we obtain some results for the circle map and perturbed logistic map. The formalism presented here can be extended to many other different nonlinear and dissipative systems.

TQ-bifurcations in discrete dynamical systems: Analysis of qualitative rearrangements of the oscillation mode

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

Makarenko, A. V., E-mail: avm.science@mail.ru

A new class of bifurcations is defined in discrete dynamical systems, and methods for their diagnostics and the analysis of their properties are presented. The TQ-bifurcations considered are implemented in discrete mappings and are related to the qualitative rearrangement of the shape of trajectories in an extended space of states. Within the demonstration of the main capabilities of the toolkit, an analysis is carried out of a logistic mapping in a domain to the right of the period-doubling limit point. Five critical values of the parameter are found for which the geometric structure of the trajectories of the mapping experiencesmore » a qualitative rearrangement. In addition, an analysis is carried out of the so-called “trace map,” which arises in the problems of quantum-mechanical description of various properties of discrete crystalline and quasicrystalline lattices.« less

A method of recovering the initial vectors of globally coupled map lattices based on symbolic dynamics

NASA Astrophysics Data System (ADS)

Sun, Li-Sha; Kang, Xiao-Yun; Zhang, Qiong; Lin, Lan-Xin

2011-12-01

Based on symbolic dynamics, a novel computationally efficient algorithm is proposed to estimate the unknown initial vectors of globally coupled map lattices (CMLs). It is proved that not all inverse chaotic mapping functions are satisfied for contraction mapping. It is found that the values in phase space do not always converge on their initial values with respect to sufficient backward iteration of the symbolic vectors in terms of global convergence or divergence (CD). Both CD property and the coupling strength are directly related to the mapping function of the existing CML. Furthermore, the CD properties of Logistic, Bernoulli, and Tent chaotic mapping functions are investigated and compared. Various simulation results and the performances of the initial vector estimation with different signal-to-noise ratios (SNRs) are also provided to confirm the proposed algorithm. Finally, based on the spatiotemporal chaotic characteristics of the CML, the conditions of estimating the initial vectors using symbolic dynamics are discussed. The presented method provides both theoretical and experimental results for better understanding and characterizing the behaviours of spatiotemporal chaotic systems.

Spatial analysis of land use and shallow groundwater vulnerability in the watershed adjacent to Assateague Island National Seashore, Maryland and Virginia, USA

USGS Publications Warehouse

LaMotte, A.E.; Greene, E.A.

2007-01-01

Spatial relations between land use and groundwater quality in the watershed adjacent to Assateague Island National Seashore, Maryland and Virginia, USA were analyzed by the use of two spatial models. One model used a logit analysis and the other was based on geostatistics. The models were developed and compared on the basis of existing concentrations of nitrate as nitrogen in samples from 529 domestic wells. The models were applied to produce spatial probability maps that show areas in the watershed where concentrations of nitrate in groundwater are likely to exceed a predetermined management threshold value. Maps of the watershed generated by logistic regression and probability kriging analysis showing where the probability of nitrate concentrations would exceed 3 mg/L (>0.50) compared favorably. Logistic regression was less dependent on the spatial distribution of sampled wells, and identified an additional high probability area within the watershed that was missed by probability kriging. The spatial probability maps could be used to determine the natural or anthropogenic factors that best explain the occurrence and distribution of elevated concentrations of nitrate (or other constituents) in shallow groundwater. This information can be used by local land-use planners, ecologists, and managers to protect water supplies and identify land-use planning solutions and monitoring programs in vulnerable areas. ?? 2006 Springer-Verlag.

High spatial resolution three-dimensional mapping of vegetation spectral dynamics using computer vision

Treesearch

Jonathan P. Dandois; Erle C. Ellis

2013-01-01

High spatial resolution three-dimensional (3D) measurements of vegetation by remote sensing are advancing ecological research and environmental management. However, substantial economic and logistical costs limit this application, especially for observing phenological dynamics in ecosystem structure and spectral traits. Here we demonstrate a new aerial remote sensing...

Modeling critical habitat for Flammulated Owls (Otus flammeolus)

Treesearch

David A. Christie; Astrid M. van Woudenberg

1997-01-01

Multiple logistic regression analysis was used to produce a prediction model for Flammulated Owl (Otus flammeolus) breeding habitat within the Kamloops Forest Region in south-central British Columbia. Using the model equation, a pilot habitat prediction map was created within a Geographic Information System (GIS) environment that had a 75.7 percent...

32 CFR 644.535 - Support in clearance of Air Force lands.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Logistics Command for assistance in making the economic study. The disposal planning report will include, but need not be limited to, the following: (a) A map which depicts and annotates differing areas... of each of the differing areas based on their highest and best use, and based on the assumption that...

32 CFR 644.535 - Support in clearance of Air Force lands.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Logistics Command for assistance in making the economic study. The disposal planning report will include, but need not be limited to, the following: (a) A map which depicts and annotates differing areas... of each of the differing areas based on their highest and best use, and based on the assumption that...

32 CFR 644.535 - Support in clearance of Air Force lands.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Logistics Command for assistance in making the economic study. The disposal planning report will include, but need not be limited to, the following: (a) A map which depicts and annotates differing areas... of each of the differing areas based on their highest and best use, and based on the assumption that...

32 CFR 644.535 - Support in clearance of Air Force lands.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Logistics Command for assistance in making the economic study. The disposal planning report will include, but need not be limited to, the following: (a) A map which depicts and annotates differing areas... of each of the differing areas based on their highest and best use, and based on the assumption that...

32 CFR 644.535 - Support in clearance of Air Force lands.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Logistics Command for assistance in making the economic study. The disposal planning report will include, but need not be limited to, the following: (a) A map which depicts and annotates differing areas... of each of the differing areas based on their highest and best use, and based on the assumption that...

Logistic Map for Cancellable Biometrics

NASA Astrophysics Data System (ADS)

Supriya, V. G., Dr; Manjunatha, Ramachandra, Dr

2017-08-01

This paper presents design and implementation of secured biometric template protection system by transforming the biometric template using binary chaotic signals and 3 different key streams to obtain another form of template and demonstrating its efficiency by the results and investigating on its security through analysis including, key space analysis, information entropy and key sensitivity analysis.

Urban change analysis and future growth of Istanbul.

PubMed

Akın, Anıl; Sunar, Filiz; Berberoğlu, Süha

2015-08-01

This study is aimed at analyzing urban change within Istanbul and assessing the city's future growth potential using appropriate approach modeling for the year 2040. Urban growth is a major driving force of land-use change, and spatial and temporal components of urbanization can be identified through accurate spatial modeling. In this context, widely used urban modeling approaches, such as the Markov chain and logistic regression based on cellular automata (CA), were used to simulate urban growth within Istanbul. The distance from each pixel to the urban and road classes, elevation, and slope, together with municipality and land use maps (as an excluded layer), were identified as factors. Calibration data were obtained from remotely sensed data recorded in 1972, 1986, and 2013. Validation was performed by overlaying the simulated and actual 2013 urban maps, and a kappa index of agreement was derived. The results indicate that urban expansion will influence mainly forest areas during the time period of 2013-2040. The urban expansion was predicted as 429 and 327 km(2) with the Markov chain and logistic regression models, respectively.

Explore Stochastic Instabilities of Periodic Points by Transition Path Theory

NASA Astrophysics Data System (ADS)

Cao, Yu; Lin, Ling; Zhou, Xiang

2016-06-01

We consider the noise-induced transitions from a linearly stable periodic orbit consisting of T periodic points in randomly perturbed discrete logistic map. Traditional large deviation theory and asymptotic analysis at small noise limit cannot distinguish the quantitative difference in noise-induced stochastic instabilities among the T periodic points. To attack this problem, we generalize the transition path theory to the discrete-time continuous-space stochastic process. In our first criterion to quantify the relative instability among T periodic points, we use the distribution of the last passage location related to the transitions from the whole periodic orbit to a prescribed disjoint set. This distribution is related to individual contributions to the transition rate from each periodic points. The second criterion is based on the competency of the transition paths associated with each periodic point. Both criteria utilize the reactive probability current in the transition path theory. Our numerical results for the logistic map reveal the transition mechanism of escaping from the stable periodic orbit and identify which periodic point is more prone to lose stability so as to make successful transitions under random perturbations.

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

Kwasniewski, Bartosz K

The construction of reversible extensions of dynamical systems presented in a previous paper by the author and A.V. Lebedev is enhanced, so that it applies to arbitrary mappings (not necessarily with open range). It is based on calculating the maximal ideal space of C*-algebras that extends endomorphisms to partial automorphisms via partial isometric representations, and involves a new set of 'parameters' (the role of parameters is played by chosen sets or ideals). As model examples, we give a thorough description of reversible extensions of logistic maps and a classification of systems associated with compression of unitaries generating homeomorphisms of themore » circle. Bibliography: 34 titles.« less

A Novel Bit-level Image Encryption Method Based on Chaotic Map and Dynamic Grouping

NASA Astrophysics Data System (ADS)

Zhang, Guo-Ji; Shen, Yan

2012-10-01

In this paper, a novel bit-level image encryption method based on dynamic grouping is proposed. In the proposed method, the plain-image is divided into several groups randomly, then permutation-diffusion process on bit level is carried out. The keystream generated by logistic map is related to the plain-image, which confuses the relationship between the plain-image and the cipher-image. The computer simulation results of statistical analysis, information entropy analysis and sensitivity analysis show that the proposed encryption method is secure and reliable enough to be used for communication application.

QUADrATiC: scalable gene expression connectivity mapping for repurposing FDA-approved therapeutics.

PubMed

O'Reilly, Paul G; Wen, Qing; Bankhead, Peter; Dunne, Philip D; McArt, Darragh G; McPherson, Suzanne; Hamilton, Peter W; Mills, Ken I; Zhang, Shu-Dong

2016-05-04

Gene expression connectivity mapping has proven to be a powerful and flexible tool for research. Its application has been shown in a broad range of research topics, most commonly as a means of identifying potential small molecule compounds, which may be further investigated as candidates for repurposing to treat diseases. The public release of voluminous data from the Library of Integrated Cellular Signatures (LINCS) programme further enhanced the utilities and potentials of gene expression connectivity mapping in biomedicine. We describe QUADrATiC ( http://go.qub.ac.uk/QUADrATiC ), a user-friendly tool for the exploration of gene expression connectivity on the subset of the LINCS data set corresponding to FDA-approved small molecule compounds. It enables the identification of compounds for repurposing therapeutic potentials. The software is designed to cope with the increased volume of data over existing tools, by taking advantage of multicore computing architectures to provide a scalable solution, which may be installed and operated on a range of computers, from laptops to servers. This scalability is provided by the use of the modern concurrent programming paradigm provided by the Akka framework. The QUADrATiC Graphical User Interface (GUI) has been developed using advanced Javascript frameworks, providing novel visualization capabilities for further analysis of connections. There is also a web services interface, allowing integration with other programs or scripts. QUADrATiC has been shown to provide an improvement over existing connectivity map software, in terms of scope (based on the LINCS data set), applicability (using FDA-approved compounds), usability and speed. It offers potential to biological researchers to analyze transcriptional data and generate potential therapeutics for focussed study in the lab. QUADrATiC represents a step change in the process of investigating gene expression connectivity and provides more biologically-relevant results than previous alternative solutions.

Improved pose and affinity predictions using different protocols tailored on the basis of data availability

NASA Astrophysics Data System (ADS)

Prathipati, Philip; Nagao, Chioko; Ahmad, Shandar; Mizuguchi, Kenji

2016-09-01

The D3R 2015 grand drug design challenge provided a set of blinded challenges for evaluating the applicability of our protocols for pose and affinity prediction. In the present study, we report the application of two different strategies for the two D3R protein targets HSP90 and MAP4K4. HSP90 is a well-studied target system with numerous co-crystal structures and SAR data. Furthermore the D3R HSP90 test compounds showed high structural similarity to existing HSP90 inhibitors in BindingDB. Thus, we adopted an integrated docking and scoring approach involving a combination of both pharmacophoric and heavy atom similarity alignments, local minimization and quantitative structure activity relationships modeling, resulting in the reasonable prediction of pose [with the root mean square deviation (RMSD) values of 1.75 Å for mean pose 1, 1.417 Å for the mean best pose and 1.85 Å for the mean all poses] and affinity (ROC AUC = 0.702 at 7.5 pIC50 cut-off and R = 0.45 for 180 compounds). The second protein, MAP4K4, represents a novel system with limited SAR and co-crystal structure data and little structural similarity of the D3R MAP4K4 test compounds to known MAP4K4 ligands. For this system, we implemented an exhaustive pose and affinity prediction protocol involving docking and scoring using the PLANTS software which considers side chain flexibility together with protein-ligand fingerprints analysis assisting in pose prioritization. This protocol through fares poorly in pose prediction (with the RMSD values of 4.346 Å for mean pose 1, 4.69 Å for mean best pose and 4.75 Å for mean all poses) and produced reasonable affinity prediction (AUC = 0.728 at 7.5 pIC50 cut-off and R = 0.67 for 18 compounds, ranked 1st among 80 submissions).

Autonomous excursions using tablets and smartphones

NASA Astrophysics Data System (ADS)

Marra, Wouter; Groothengel, Marin; van de Grint, Liesbeth; Karssenberg, Derek; Stouthamer, Esther

2017-04-01

Excursions and fieldworks are valuable components for geosciences education. However, field activities can be time consuming for teachers and pose a logistical challenge to fit in regular courses. Furthermore, the participation of students diminishes with group size in case of instructor-led outings. We are developing excursions that students can follow autonomously without a teacher present, using instructions, assignments and background information on tablets and smartphones. The goal of this approach is to increase the level of active participation, and to reduce logistical and time table issues. We developed a bike-excursion about the landscape and geology in the vicinity of our University. Such excursion was on the wish-list for several years, but posed a logistical challenge for the group of about 80 students in the available timeslot. In our approach, students had a time-window of two weeks in which they could finish the excursion in groups of 2. 8-Inch tablets with water- and shock-proof cases were available for this excursion. For the excursion we used three apps: 1) IZI-Travel for providing the route, spoken navigation instructions, spoken explanations at stops, location-related images, assignments as text, and multiple-choose questions. 2) PDF-Maps for providing geo-referenced maps. 3) ESRI Collector which the students used to digitize polygons on a map, and to collect geo-referenced photos with explanation. These data were answers to assignments and were later used in a tutorial on campus. The assignments where students had to collect data, and the small group size (pairs) increased the level of active participation. The use of a final tutorial on campus was important for the autonomous excursion, as it gave students the opportunity to discuss their observations and questions with their teacher. The developed teaching materials are available online to use and adapt for others. Parts could be useful for other universities and schools in the vicinity of the excursion location.

QTL analysis and candidate gene mapping for the polyphenol content in cider apple.

PubMed

Verdu, Cindy F; Guyot, Sylvain; Childebrand, Nicolas; Bahut, Muriel; Celton, Jean-Marc; Gaillard, Sylvain; Lasserre-Zuber, Pauline; Troggio, Michela; Guilet, David; Laurens, François

2014-01-01

Polyphenols have favorable antioxidant potential on human health suggesting that their high content is responsible for the beneficial effects of apple consumption. They control the quality of ciders as they predominantly account for astringency, bitterness, color and aroma. In this study, we identified QTLs controlling phenolic compound concentrations and the average polymerization degree of flavanols in a cider apple progeny. Thirty-two compounds belonging to five groups of phenolic compounds were identified and quantified by reversed phase liquid chromatography on both fruit extract and juice, over three years. The average polymerization degree of flavanols was estimated in fruit by phloroglucinolysis coupled to HPLC. Parental maps were built using SSR and SNP markers and used for the QTL analysis. Sixty-nine and 72 QTLs were detected on 14 and 11 linkage groups of the female and male maps, respectively. A majority of the QTLs identified in this study are specific to this population, while others are consistent with previous studies. This study presents for the first time in apple, QTLs for the mean polymerization degree of procyanidins, for which the mechanisms involved remains unknown to this day. Identification of candidate genes underlying major QTLs was then performed in silico and permitted the identification of 18 enzymes of the polyphenol pathway and six transcription factors involved in the apple anthocyanin regulation. New markers were designed from sequences of the most interesting candidate genes in order to confirm their co-localization with underlying QTLs by genetic mapping. Finally, the potential use of these QTLs in breeding programs is discussed.

Genetic analysis of metabolites in apple fruits indicates an mQTL hotspot for phenolic compounds on linkage group 16

PubMed Central

Khan, Sabaz Ali; Chibon, Pierre-Yves; de Vos, Ric C.H.; Schipper, Bert A.; Walraven, Evert; Beekwilder, Jules; van Dijk, Thijs; Finkers, Richard; Visser, Richard G.F.; van de Weg, Eric W.; Bovy, Arnaud; Cestaro, Alessandro; Velasco, Riccardo; Jacobsen, Evert; Schouten, Henk J.

2012-01-01

Apple (Malus×domestica Borkh) is among the main sources of phenolic compounds in the human diet. The genetic basis of the quantitative variations of these potentially beneficial phenolic compounds was investigated. A segregating F1 population was used to map metabolite quantitative trait loci (mQTLs). Untargeted metabolic profiling of peel and flesh tissues of ripe fruits was performed using liquid chromatography–mass spectrometry (LC-MS), resulting in the detection of 418 metabolites in peel and 254 in flesh. In mQTL mapping using MetaNetwork, 669 significant mQTLs were detected: 488 in the peel and 181 in the flesh. Four linkage groups (LGs), LG1, LG8, LG13, and LG16, were found to contain mQTL hotspots, mainly regulating metabolites that belong to the phenylpropanoid pathway. The genetics of annotated metabolites was studied in more detail using MapQTL®. A number of quercetin conjugates had mQTLs on LG1 or LG13. The most important mQTL hotspot with the largest number of metabolites was detected on LG16: mQTLs for 33 peel-related and 17 flesh-related phenolic compounds. Structural genes involved in the phenylpropanoid biosynthetic pathway were located, using the apple genome sequence. The structural gene leucoanthocyanidin reductase (LAR1) was in the mQTL hotspot on LG16, as were seven transcription factor genes. The authors believe that this is the first time that a QTL analysis was performed on such a high number of metabolites in an outbreeding plant species. PMID:22330898

Predicting the potential distribution of invasive exotic species using GIS and information-theoretic approaches: A case of ragweed (Ambrosia artemisiifolia L.) distribution in China

USGS Publications Warehouse

Hao, Chen; LiJun, Chen; Albright, Thomas P.

2007-01-01

Invasive exotic species pose a growing threat to the economy, public health, and ecological integrity of nations worldwide. Explaining and predicting the spatial distribution of invasive exotic species is of great importance to prevention and early warning efforts. We are investigating the potential distribution of invasive exotic species, the environmental factors that influence these distributions, and the ability to predict them using statistical and information-theoretic approaches. For some species, detailed presence/absence occurrence data are available, allowing the use of a variety of standard statistical techniques. However, for most species, absence data are not available. Presented with the challenge of developing a model based on presence-only information, we developed an improved logistic regression approach using Information Theory and Frequency Statistics to produce a relative suitability map. This paper generated a variety of distributions of ragweed (Ambrosia artemisiifolia L.) from logistic regression models applied to herbarium specimen location data and a suite of GIS layers including climatic, topographic, and land cover information. Our logistic regression model was based on Akaike's Information Criterion (AIC) from a suite of ecologically reasonable predictor variables. Based on the results we provided a new Frequency Statistical method to compartmentalize habitat-suitability in the native range. Finally, we used the model and the compartmentalized criterion developed in native ranges to "project" a potential distribution onto the exotic ranges to build habitat-suitability maps. ?? Science in China Press 2007.

In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches

PubMed Central

Li, Rui-Juan; Wang, Ya-Li; Wang, Qing-He; Wang, Jian; Cheng, Mao-Sheng

2015-01-01

Inosine 5′-monophosphate dehydrogenase (IMPDH) is one of the crucial enzymes in the de novo biosynthesis of guanosine nucleotides. It has served as an attractive target in immunosuppressive, anticancer, antiviral, and antiparasitic therapeutic strategies. In this study, pharmacophore mapping and molecular docking approaches were employed to discover novel Homo sapiens IMPDH (hIMPDH) inhibitors. The Güner-Henry (GH) scoring method was used to evaluate the quality of generated pharmacophore hypotheses. One of the generated pharmacophore hypotheses was found to possess a GH score of 0.67. Ten potential compounds were selected from the ZINC database using a pharmacophore mapping approach and docked into the IMPDH active site. We find two hits (i.e., ZINC02090792 and ZINC00048033) that match well the optimal pharmacophore features used in this investigation, and it is found that they form interactions with key residues of IMPDH. We propose that these two hits are lead compounds for the development of novel hIMPDH inhibitors. PMID:25784957

QSAR modeling and chemical space analysis of antimalarial compounds

NASA Astrophysics Data System (ADS)

Sidorov, Pavel; Viira, Birgit; Davioud-Charvet, Elisabeth; Maran, Uko; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

2017-05-01

Generative topographic mapping (GTM) has been used to visualize and analyze the chemical space of antimalarial compounds as well as to build predictive models linking structure of molecules with their antimalarial activity. For this, a database, including 3000 molecules tested in one or several of 17 anti- Plasmodium activity assessment protocols, has been compiled by assembling experimental data from in-house and ChEMBL databases. GTM classification models built on subsets corresponding to individual bioassays perform similarly to the earlier reported SVM models. Zones preferentially populated by active and inactive molecules, respectively, clearly emerge in the class landscapes supported by the GTM model. Their analysis resulted in identification of privileged structural motifs of potential antimalarial compounds. Projection of marketed antimalarial drugs on this map allowed us to delineate several areas in the chemical space corresponding to different mechanisms of antimalarial activity. This helped us to make a suggestion about the mode of action of the molecules populating these zones.

QSAR modeling and chemical space analysis of antimalarial compounds.

PubMed

Sidorov, Pavel; Viira, Birgit; Davioud-Charvet, Elisabeth; Maran, Uko; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

2017-05-01

Generative topographic mapping (GTM) has been used to visualize and analyze the chemical space of antimalarial compounds as well as to build predictive models linking structure of molecules with their antimalarial activity. For this, a database, including ~3000 molecules tested in one or several of 17 anti-Plasmodium activity assessment protocols, has been compiled by assembling experimental data from in-house and ChEMBL databases. GTM classification models built on subsets corresponding to individual bioassays perform similarly to the earlier reported SVM models. Zones preferentially populated by active and inactive molecules, respectively, clearly emerge in the class landscapes supported by the GTM model. Their analysis resulted in identification of privileged structural motifs of potential antimalarial compounds. Projection of marketed antimalarial drugs on this map allowed us to delineate several areas in the chemical space corresponding to different mechanisms of antimalarial activity. This helped us to make a suggestion about the mode of action of the molecules populating these zones.

Halogenated naphthyl methoxy piperidines for mapping serotonin transporter sites

DOEpatents

Goodman, Mark M.; Faraj, Bahjat

1999-01-01

Halogenated naphthyl methoxy piperidines having a strong affinity for the serotonin transporter are disclosed. Those compounds can be labeled with positron-emitting and/or gamma emitting halogen isotopes by a late step synthesis that maximizes the useable lifeterm of the label. The labeled compounds are useful for localizing serotonin transporter sites by positron emission tomography and/or single photon emission computed tomography.

Halogenated naphthyl methoxy piperidines for mapping serotonin transporter sites

DOEpatents

Goodman, M.M.; Faraj, B.

1999-07-06

Halogenated naphthyl methoxy piperidines having a strong affinity for the serotonin transporter are disclosed. Those compounds can be labeled with positron-emitting and/or gamma emitting halogen isotopes by a late step synthesis that maximizes the useable lifeterm of the label. The labeled compounds are useful for localizing serotonin transporter sites by positron emission tomography and/or single photon emission computed tomography.

Fire performance and decay resistance of solid wood and plywood treated with quaternary ammonia compounds and common fire retardants

Treesearch

Evren Terzi; S. Nami Kartal; Robert White; Katsumi Shinoda; Yuji Imamura

2010-01-01

In this study, the fire performance and decay resistance of solid wood and plywood treated with quaternary ammonia compounds (didecyl dimethyl ammonium chloride (DDAC) and didecyl dimethyl ammonium tetrafluoroborate (DBF)) were compared with the performance of untreated control specimens and specimens treated with common fire retardants ((monoammonium phosphate (MAP),...

Determination Of Slope Instability Using Spatially Integrated Mapping Framework

NASA Astrophysics Data System (ADS)

Baharuddin, I. N. Z.; Omar, R. C.; Roslan, R.; Khalid, N. H. N.; Hanifah, M. I. M.

2016-11-01

The determination and identification of slope instability are often rely on data obtained from in-situ soil investigation work where it involves the logistic of machineries and manpower, thus these aspects may increase the cost especially for remote locations. Therefore a method, which is able to identify possible slope instability without frequent ground walkabout survey, is needed. This paper presents the method used in prediction of slope instability using spatial integrated mapping framework which applicable for remote areas such as tropical forest and natural hilly terrain. Spatial data such as geology, topography, land use map, slope angle and elevation were used in regional analysis during desktop study. Through this framework, the occurrence of slope instability was able to be identified and was validate using a confirmatory site- specific analysis.

Integrating genomics and proteomics data to predict drug effects using binary linear programming.

PubMed

Ji, Zhiwei; Su, Jing; Liu, Chenglin; Wang, Hongyan; Huang, Deshuang; Zhou, Xiaobo

2014-01-01

The Library of Integrated Network-Based Cellular Signatures (LINCS) project aims to create a network-based understanding of biology by cataloging changes in gene expression and signal transduction that occur when cells are exposed to a variety of perturbations. It is helpful for understanding cell pathways and facilitating drug discovery. Here, we developed a novel approach to infer cell-specific pathways and identify a compound's effects using gene expression and phosphoproteomics data under treatments with different compounds. Gene expression data were employed to infer potential targets of compounds and create a generic pathway map. Binary linear programming (BLP) was then developed to optimize the generic pathway topology based on the mid-stage signaling response of phosphorylation. To demonstrate effectiveness of this approach, we built a generic pathway map for the MCF7 breast cancer cell line and inferred the cell-specific pathways by BLP. The first group of 11 compounds was utilized to optimize the generic pathways, and then 4 compounds were used to identify effects based on the inferred cell-specific pathways. Cross-validation indicated that the cell-specific pathways reliably predicted a compound's effects. Finally, we applied BLP to re-optimize the cell-specific pathways to predict the effects of 4 compounds (trichostatin A, MS-275, staurosporine, and digoxigenin) according to compound-induced topological alterations. Trichostatin A and MS-275 (both HDAC inhibitors) inhibited the downstream pathway of HDAC1 and caused cell growth arrest via activation of p53 and p21; the effects of digoxigenin were totally opposite. Staurosporine blocked the cell cycle via p53 and p21, but also promoted cell growth via activated HDAC1 and its downstream pathway. Our approach was also applied to the PC3 prostate cancer cell line, and the cross-validation analysis showed very good accuracy in predicting effects of 4 compounds. In summary, our computational model can be used to elucidate potential mechanisms of a compound's efficacy.

Field-temperature phase diagram and entropy landscape of CeAuSb 2

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

Zhao, Lishan; Yelland, Edward A.; Bruin, Jan A. N.

2016-05-12

Here, we report a field-temperature phase diagram and an entropy map for the heavy-fermion compound CeAuSb 2. CeAuSb 2 orders antiferromagnetically below T N = 6.6 K and has two metamagnetic transitions, at 2.8 and 5.6 T. The locations of the critical end points of the metamagnetic transitions, which may play a strong role in the putative quantum criticality of CeAuSb 2 and related compounds, are identified. The entropy map reveals an apparent entropy balance with Fermi-liquid behavior, implying that above the Neel transition the Ce moments are incorporated into the Fermi liquid. High-field data showing that the magnetic behaviormore » is remarkably anisotropic are also reported.« less

Mapping seagrass and colonized hard bottom in Springs Coast, Florida using WorldView-2 satellite imagery

NASA Astrophysics Data System (ADS)

Baumstark, René; Duffey, Renee; Pu, Ruiliang

2016-11-01

The offshore extent of seagrass habitat along the West Florida (USA) coast represents an important corridor for inshore-offshore migration of economically important fish and shellfish. Surviving at the fringe of light requirements, offshore seagrass beds are sensitive to changes in water clarity. Beyond and intermingled with the offshore seagrass areas are large swaths of colonized hard bottom. These offshore habitats of the West Florida coast have lacked mapping efforts needed for status and trends monitoring. The objective of this study was to propose an object-based classification method for mapping offshore habitats and to compare results to traditional photo-interpreted maps. Benthic maps were created from WorldView-2 satellite imagery using an Object Based Image Analysis (OBIA) method and a visual photo-interpretation method. A logistic regression analysis identified depth and distance from shore as significant parameters for discriminating spectrally similar seagrass and colonized hard bottom features. Seagrass, colonized hard bottom and unconsolidated sediment (sand) were mapped with 78% overall accuracy using the OBIA method compared to 71% overall accuracy using the photo-interpretation method. This study suggests an alternative for mapping deeper, offshore habitats capable of producing higher thematic and spatial resolution maps compared to those created with the traditional photo-interpretation method.

Dairy farms testing positive for Mycobacterium avium ssp. paratuberculosis have poorer hygiene practices and are less cautious when purchasing cattle than test-negative herds.

PubMed

Wolf, R; Barkema, H W; De Buck, J; Orsel, K

2016-06-01

Mycobacterium avium ssp. paratuberculosis (MAP), the causative agent of Johne's disease, is present on most dairy farms in Alberta, causing economic losses and presenting a potential public health concern. The objective of this cross-sectional study was to identify risk factors for Alberta dairy herds being MAP-positive based on environmental samples (ES). Risk assessments were conducted and ES were collected on 354 Alberta dairy farms (62% of eligible producers) voluntarily participating in the Alberta Johne's Disease Initiative. In univariate logistic regression, risk factors addressing animal and pen hygiene, as well as the use of feeding equipment to remove manure and manure application on pastures, were all associated with the number of positive ES. Furthermore, based on factor analysis, risk factors were clustered and could be summarized as 4 independent factors: (1) animal, pen, and feeder contamination; (2) shared equipment and pasture contamination; (3) calf diet; and (4) cattle purchase. Using these factor scores as independent variables in multivariate logistic regression models, a 1-unit increase in animal, pen, and feeder contamination resulted in 1.31 times higher odds of having at least 1 positive ES. Furthermore, a 1-unit increase in cattle purchase also resulted in 1.31 times the odds of having at least 1 positive ES. Finally, a 100-cow increase in herd size resulted in an odds ratio of 2.1 for having at least 1 positive ES. In conclusion, cleanliness of animals, pens, and feeders, as well as cattle purchase practices, affected risk of herd infection with MAP. Therefore, improvements in those management practices should be the focus of effective tools to control MAP on dairy farms. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Composing chaotic music from the letter m

NASA Astrophysics Data System (ADS)

Sotiropoulos, Anastasios D.

Chaotic music is composed from a proposed iterative map depicting the letter m, relating the pitch, duration and loudness of successive steps. Each of the two curves of the letter m is based on the classical logistic map. Thus, the generating map is xn+1 = r xn(1/2 - xn) for xn between 0 and 1/2 defining the first curve, and xn+1 = r (xn - 1/2)(1 - xn) for xn between 1/2 and 1 representing the second curve. The parameter r which determines the height(s) of the letter m varies from 2 to 16, the latter value ensuring fully developed chaotic solutions for the whole letter m; r = 8 yielding full chaotic solutions only for its first curve. The m-model yields fixed points, bifurcation points and chaotic regions for each separate curve, as well as values of the parameter r greater than 8 which produce inter-fixed points, inter-bifurcation points and inter-chaotic regions from the interplay of the two curves. Based on this, music is composed from mapping the m- recurrence model solutions onto actual notes. The resulting musical score strongly depends on the sequence of notes chosen by the composer to define the musical range corresponding to the range of the chaotic mathematical solutions x from 0 to 1. Here, two musical ranges are used; one is the middle chromatic scale and the other is the seven- octaves range. At the composer's will and, for aesthetics, within the same composition, notes can be the outcome of different values of r and/or shifted in any octave. Compositions with endings of non-repeating note patterns result from values of r in the m-model that do not produce bifurcations. Scores of chaotic music composed from the m-model and the classical logistic model are presented.

Accounting for geophysical information in geostatistical characterization of unexploded ordnance (UXO) sites.

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

Saito, Hirotaka; Goovaerts, Pierre; McKenna, Sean Andrew

2003-06-01

Efficient and reliable unexploded ordnance (UXO) site characterization is needed for decisions regarding future land use. There are several types of data available at UXO sites and geophysical signal maps are one of the most valuable sources of information. Incorporation of such information into site characterization requires a flexible and reliable methodology. Geostatistics allows one to account for exhaustive secondary information (i.e.,, known at every location within the field) in many different ways. Kriging and logistic regression were combined to map the probability of occurrence of at least one geophysical anomaly of interest, such as UXO, from a limited numbermore » of indicator data. Logistic regression is used to derive the trend from a geophysical signal map, and kriged residuals are added to the trend to estimate the probabilities of the presence of UXO at unsampled locations (simple kriging with varying local means or SKlm). Each location is identified for further remedial action if the estimated probability is greater than a given threshold. The technique is illustrated using a hypothetical UXO site generated by a UXO simulator, and a corresponding geophysical signal map. Indicator data are collected along two transects located within the site. Classification performances are then assessed by computing proportions of correct classification, false positive, false negative, and Kappa statistics. Two common approaches, one of which does not take any secondary information into account (ordinary indicator kriging) and a variant of common cokriging (collocated cokriging), were used for comparison purposes. Results indicate that accounting for exhaustive secondary information improves the overall characterization of UXO sites if an appropriate methodology, SKlm in this case, is used.« less

Data-driven mapping of the potential mountain permafrost distribution.

PubMed

Deluigi, Nicola; Lambiel, Christophe; Kanevski, Mikhail

2017-07-15

Existing mountain permafrost distribution models generally offer a good overview of the potential extent of this phenomenon at a regional scale. They are however not always able to reproduce the high spatial discontinuity of permafrost at the micro-scale (scale of a specific landform; ten to several hundreds of meters). To overcome this lack, we tested an alternative modelling approach using three classification algorithms belonging to statistics and machine learning: Logistic regression, Support Vector Machines and Random forests. These supervised learning techniques infer a classification function from labelled training data (pixels of permafrost absence and presence) with the aim of predicting the permafrost occurrence where it is unknown. The research was carried out in a 588km 2 area of the Western Swiss Alps. Permafrost evidences were mapped from ortho-image interpretation (rock glacier inventorying) and field data (mainly geoelectrical and thermal data). The relationship between selected permafrost evidences and permafrost controlling factors was computed with the mentioned techniques. Classification performances, assessed with AUROC, range between 0.81 for Logistic regression, 0.85 with Support Vector Machines and 0.88 with Random forests. The adopted machine learning algorithms have demonstrated to be efficient for permafrost distribution modelling thanks to consistent results compared to the field reality. The high resolution of the input dataset (10m) allows elaborating maps at the micro-scale with a modelled permafrost spatial distribution less optimistic than classic spatial models. Moreover, the probability output of adopted algorithms offers a more precise overview of the potential distribution of mountain permafrost than proposing simple indexes of the permafrost favorability. These encouraging results also open the way to new possibilities of permafrost data analysis and mapping. Copyright © 2017 Elsevier B.V. All rights reserved.

Comparative metabolism and elimination of acetanilide compounds by rat.

PubMed

Davison, K L; Larsen, G L; Feil, V J

1994-10-01

1. 14C-labelled propachlor, alachlor, butachlor, metolachlor, methoxypropachlor and some of their mercapturic acid pathway metabolites (MAP) were given to rat either by gavage or by perfusion into a renal artery. MAP metabolites were isolated from bile and urine. 2. Rat gavaged with propachlor and methoxypropachlor eliminated 14C mostly in urine, whereas rat gavaged with alachlor, butachlor and metolachlor eliminated 14C about equally divided between urine and faeces. When bile ducts were cannulated, the gavaged rat eliminated most of the 14C in bile for all compounds. The amount of 14C in bile from the propachlor-gavaged rat was less than that for the other acetanilides, with the difference being in the urine. 3. The mercapturic acid metabolites 2-methylsulphinyl-N-(1-methylhydroxyethyl)-N-phenylacetam ide and 2-methylsulphinyl-N-(1-methylmethoxyethyl)-N-phenylacetam ide were isolated from the urine and bile of the methoxypropachlor-gavaged rat. 4. Bile was the major route for 14C elimination when MAP metabolites of alachlor, butachlor and metolachlor were perfused into a renal artery. Urine was the major route for 14C elimination when MAP metabolites of propachlor and methoxypropachlor were perfused. Mercapturic acid conjugates were major metabolites in bile and urine when MAP metabolites were perfused. 5. We conclude that alkyl groups on the phenyl portion of the acetanilide causes biliary elimination to be favoured over urinary elimination.

Bifurcation Analysis and Application for Impulsive Systems with Delayed Impulses

NASA Astrophysics Data System (ADS)

Church, Kevin E. M.; Liu, Xinzhi

In this article, we present a systematic approach to bifurcation analysis of impulsive systems with autonomous or periodic right-hand sides that may exhibit delayed impulse terms. Methods include Lyapunov-Schmidt reduction and center manifold reduction. Both methods are presented abstractly in the context of the stroboscopic map associated to a given impulsive system, and are illustrated by way of two in-depth examples: the analysis of a SIR model of disease transmission with seasonality and unevenly distributed moments of treatment, and a scalar logistic differential equation with a delayed census impulsive harvesting effort. It is proven that in some special cases, the logistic equation can exhibit a codimension two bifurcation at a 1:1 resonance point.

The logistics of choice.

PubMed

Killeen, Peter R

2015-07-01

The generalized matching law (GML) is reconstructed as a logistic regression equation that privileges no particular value of the sensitivity parameter, a. That value will often approach 1 due to the feedback that drives switching that is intrinsic to most concurrent schedules. A model of that feedback reproduced some features of concurrent data. The GML is a law only in the strained sense that any equation that maps data is a law. The machine under the hood of matching is in all likelihood the very law that was displaced by the Matching Law. It is now time to return the Law of Effect to centrality in our science. © Society for the Experimental Analysis of Behavior.

Susceptibility assessment of earthquake-triggered landslides in El Salvador using logistic regression

NASA Astrophysics Data System (ADS)

García-Rodríguez, M. J.; Malpica, J. A.; Benito, B.; Díaz, M.

2008-03-01

This work has evaluated the probability of earthquake-triggered landslide occurrence in the whole of El Salvador, with a Geographic Information System (GIS) and a logistic regression model. Slope gradient, elevation, aspect, mean annual precipitation, lithology, land use, and terrain roughness are the predictor variables used to determine the dependent variable of occurrence or non-occurrence of landslides within an individual grid cell. The results illustrate the importance of terrain roughness and soil type as key factors within the model — using only these two variables the analysis returned a significance level of 89.4%. The results obtained from the model within the GIS were then used to produce a map of relative landslide susceptibility.

Discriminating between adaptive and carcinogenic liver hypertrophy in rat studies using logistic ridge regression analysis of toxicogenomic data: The mode of action and predictive models

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

Liu, Shujie; Kawamoto, Taisuke; Morita, Osamu

Chemical exposure often results in liver hypertrophy in animal tests, characterized by increased liver weight, hepatocellular hypertrophy, and/or cell proliferation. While most of these changes are considered adaptive responses, there is concern that they may be associated with carcinogenesis. In this study, we have employed a toxicogenomic approach using a logistic ridge regression model to identify genes responsible for liver hypertrophy and hypertrophic hepatocarcinogenesis and to develop a predictive model for assessing hypertrophy-inducing compounds. Logistic regression models have previously been used in the quantification of epidemiological risk factors. DNA microarray data from the Toxicogenomics Project-Genomics Assisted Toxicity Evaluation System weremore » used to identify hypertrophy-related genes that are expressed differently in hypertrophy induced by carcinogens and non-carcinogens. Data were collected for 134 chemicals (72 non-hypertrophy-inducing chemicals, 27 hypertrophy-inducing non-carcinogenic chemicals, and 15 hypertrophy-inducing carcinogenic compounds). After applying logistic ridge regression analysis, 35 genes for liver hypertrophy (e.g., Acot1 and Abcc3) and 13 genes for hypertrophic hepatocarcinogenesis (e.g., Asns and Gpx2) were selected. The predictive models built using these genes were 94.8% and 82.7% accurate, respectively. Pathway analysis of the genes indicates that, aside from a xenobiotic metabolism-related pathway as an adaptive response for liver hypertrophy, amino acid biosynthesis and oxidative responses appear to be involved in hypertrophic hepatocarcinogenesis. Early detection and toxicogenomic characterization of liver hypertrophy using our models may be useful for predicting carcinogenesis. In addition, the identified genes provide novel insight into discrimination between adverse hypertrophy associated with carcinogenesis and adaptive hypertrophy in risk assessment. - Highlights: • Hypertrophy (H) and hypertrophic carcinogenesis (C) were studied by toxicogenomics. • Important genes for H and C were selected by logistic ridge regression analysis. • Amino acid biosynthesis and oxidative responses may be involved in C. • Predictive models for H and C provided 94.8% and 82.7% accuracy, respectively. • The identified genes could be useful for assessment of liver hypertrophy.« less

Self Organizing Map-Based Classification of Cathepsin k and S Inhibitors with Different Selectivity Profiles Using Different Structural Molecular Fingerprints: Design and Application for Discovery of Novel Hits.

PubMed

Ihmaid, Saleh K; Ahmed, Hany E A; Zayed, Mohamed F; Abadleh, Mohammed M

2016-01-30

The main step in a successful drug discovery pipeline is the identification of small potent compounds that selectively bind to the target of interest with high affinity. However, there is still a shortage of efficient and accurate computational methods with powerful capability to study and hence predict compound selectivity properties. In this work, we propose an affordable machine learning method to perform compound selectivity classification and prediction. For this purpose, we have collected compounds with reported activity and built a selectivity database formed of 153 cathepsin K and S inhibitors that are considered of medicinal interest. This database has three compound sets, two K/S and S/K selective ones and one non-selective KS one. We have subjected this database to the selectivity classification tool 'Emergent Self-Organizing Maps' for exploring its capability to differentiate selective cathepsin inhibitors for one target over the other. The method exhibited good clustering performance for selective ligands with high accuracy (up to 100 %). Among the possibilites, BAPs and MACCS molecular structural fingerprints were used for such a classification. The results exhibited the ability of the method for structure-selectivity relationship interpretation and selectivity markers were identified for the design of further novel inhibitors with high activity and target selectivity.

Release of (and lessons learned from mining) a pioneering large toxicogenomics database.

PubMed

Sandhu, Komal S; Veeramachaneni, Vamsi; Yao, Xiang; Nie, Alex; Lord, Peter; Amaratunga, Dhammika; McMillian, Michael K; Verheyen, Geert R

2015-07-01

We release the Janssen Toxicogenomics database. This rat liver gene-expression database was generated using Codelink microarrays, and has been used over the past years within Janssen to derive signatures for multiple end points and to classify proprietary compounds. The release consists of gene-expression responses to 124 compounds, selected to give a broad coverage of liver-active compounds. A selection of the compounds were also analyzed on Affymetrix microarrays. The release includes results of an in-house reannotation pipeline to Entrez gene annotations, to classify probes into different confidence classes. High confidence unambiguously annotated probes were used to create gene-level data which served as starting point for cross-platform comparisons. Connectivity map-based similarity methods show excellent agreement between Codelink and Affymetrix runs of the same samples. We also compared our dataset with the Japanese Toxicogenomics Project and observed reasonable agreement, especially for compounds with stronger gene signatures. We describe an R-package containing the gene-level data and show how it can be used for expression-based similarity searches. Comparing the same biological samples run on the Affymetrix and the Codelink platform, good correspondence is observed using connectivity mapping approaches. As expected, this correspondence is smaller when the data are compared with an independent dataset such as TG-GATE. We hope that this collection of gene-expression profiles will be incorporated in toxicogenomics pipelines of users.

Use of geographically weighted logistic regression to quantify spatial variation in the environmental and sociodemographic drivers of leptospirosis in Fiji: a modelling study.

PubMed

Mayfield, Helen J; Lowry, John H; Watson, Conall H; Kama, Mike; Nilles, Eric J; Lau, Colleen L

2018-05-01

Leptospirosis is a globally important zoonotic disease, with complex exposure pathways that depend on interactions between human beings, animals, and the environment. Major drivers of outbreaks include flooding, urbanisation, poverty, and agricultural intensification. The intensity of these drivers and their relative importance vary between geographical areas; however, non-spatial regression methods are incapable of capturing the spatial variations. This study aimed to explore the use of geographically weighted logistic regression (GWLR) to provide insights into the ecoepidemiology of human leptospirosis in Fiji. We obtained field data from a cross-sectional community survey done in 2013 in the three main islands of Fiji. A blood sample obtained from each participant (aged 1-90 years) was tested for anti-Leptospira antibodies and household locations were recorded using GPS receivers. We used GWLR to quantify the spatial variation in the relative importance of five environmental and sociodemographic covariates (cattle density, distance to river, poverty rate, residential setting [urban or rural], and maximum rainfall in the wettest month) on leptospirosis transmission in Fiji. We developed two models, one using GWLR and one with standard logistic regression; for each model, the dependent variable was the presence or absence of anti-Leptospira antibodies. GWLR results were compared with results obtained with standard logistic regression, and used to produce a predictive risk map and maps showing the spatial variation in odds ratios (OR) for each covariate. The dataset contained location information for 2046 participants from 1922 households representing 81 communities. The Aikaike information criterion value of the GWLR model was 1935·2 compared with 1254·2 for the standard logistic regression model, indicating that the GWLR model was more efficient. Both models produced similar OR for the covariates, but GWLR also detected spatial variation in the effect of each covariate. Maximum rainfall had the least variation across space (median OR 1·30, IQR 1·27-1·35), and distance to river varied the most (1·45, 1·35-2·05). The predictive risk map indicated that the highest risk was in the interior of Viti Levu, and the agricultural region and southern end of Vanua Levu. GWLR provided a valuable method for modelling spatial heterogeneity of covariates for leptospirosis infection and their relative importance over space. Results of GWLR could be used to inform more place-specific interventions, particularly for diseases with strong environmental or sociodemographic drivers of transmission. WHO, Australian National Health & Medical Research Council, University of Queensland, UK Medical Research Council, Chadwick Trust. Copyright © 2018 The Author(s). Published by Elsevier Ltd. This is an Open Access article under the CC BY 4.0 license. Published by Elsevier Ltd.. All rights reserved.

Landslide susceptibility assessment in Lianhua County (China): A comparison between a random forest data mining technique and bivariate and multivariate statistical models

NASA Astrophysics Data System (ADS)

Hong, Haoyuan; Pourghasemi, Hamid Reza; Pourtaghi, Zohre Sadat

2016-04-01

Landslides are an important natural hazard that causes a great amount of damage around the world every year, especially during the rainy season. The Lianhua area is located in the middle of China's southern mountainous area, west of Jiangxi Province, and is known to be an area prone to landslides. The aim of this study was to evaluate and compare landslide susceptibility maps produced using the random forest (RF) data mining technique with those produced by bivariate (evidential belief function and frequency ratio) and multivariate (logistic regression) statistical models for Lianhua County, China. First, a landslide inventory map was prepared using aerial photograph interpretation, satellite images, and extensive field surveys. In total, 163 landslide events were recognized in the study area, with 114 landslides (70%) used for training and 49 landslides (30%) used for validation. Next, the landslide conditioning factors-including the slope angle, altitude, slope aspect, topographic wetness index (TWI), slope-length (LS), plan curvature, profile curvature, distance to rivers, distance to faults, distance to roads, annual precipitation, land use, normalized difference vegetation index (NDVI), and lithology-were derived from the spatial database. Finally, the landslide susceptibility maps of Lianhua County were generated in ArcGIS 10.1 based on the random forest (RF), evidential belief function (EBF), frequency ratio (FR), and logistic regression (LR) approaches and were validated using a receiver operating characteristic (ROC) curve. The ROC plot assessment results showed that for landslide susceptibility maps produced using the EBF, FR, LR, and RF models, the area under the curve (AUC) values were 0.8122, 0.8134, 0.7751, and 0.7172, respectively. Therefore, we can conclude that all four models have an AUC of more than 0.70 and can be used in landslide susceptibility mapping in the study area; meanwhile, the EBF and FR models had the best performance for Lianhua County, China. Thus, the resultant susceptibility maps will be useful for land use planning and hazard mitigation aims.

Invariants, Attractors and Bifurcation in Two Dimensional Maps with Polynomial Interaction

NASA Astrophysics Data System (ADS)

Hacinliyan, Avadis Simon; Aybar, Orhan Ozgur; Aybar, Ilknur Kusbeyzi

This work will present an extended discrete-time analysis on maps and their generalizations including iteration in order to better understand the resulting enrichment of the bifurcation properties. The standard concepts of stability analysis and bifurcation theory for maps will be used. Both iterated maps and flows are used as models for chaotic behavior. It is well known that when flows are converted to maps by discretization, the equilibrium points remain the same but a richer bifurcation scheme is observed. For example, the logistic map has a very simple behavior as a differential equation but as a map fold and period doubling bifurcations are observed. A way to gain information about the global structure of the state space of a dynamical system is investigating invariant manifolds of saddle equilibrium points. Studying the intersections of the stable and unstable manifolds are essential for understanding the structure of a dynamical system. It has been known that the Lotka-Volterra map and systems that can be reduced to it or its generalizations in special cases involving local and polynomial interactions admit invariant manifolds. Bifurcation analysis of this map and its higher iterates can be done to understand the global structure of the system and the artifacts of the discretization by comparing with the corresponding results from the differential equation on which they are based.

Organic Molecules in Meteorites

NASA Astrophysics Data System (ADS)

Martins, Zita

2015-08-01

Carbonaceous meteorites are primitive samples from the asteroid belt, containing 3-5wt% organic carbon. The exogenous delivery of organic matter by carbonaceous meteorites may have contributed to the organic inventory of the early Earth. The majority (>70%) of the meteoritic organic material consist of insoluble organic matter (IOM) [1]. The remaining meteoritic organic material (<30%) consists of a rich organic inventory of soluble organic compounds, including key compounds important in terrestrial biochemistry [2-4]. Different carbonaceous meteorites contain soluble organic molecules with different abundances and distributions, which may reflect the extension of aqueous alteration or thermal metamorphism on the meteorite parent bodies. Extensive aqueous alteration on the meteorite parent body may result on 1) the decomposition of α-amino acids [5, 6]; 2) synthesis of β- and γ-amino acids [2, 6-9]; 3) higher relative abundances of alkylated polycyclic aromatic hydrocarbons (PAHs) [6, 10]; and 4) higher L-enantiomer excess (Lee) value of isovaline [6, 11, 12].The soluble organic content of carbonaceous meteorites may also have a contribution from Fischer-Tropsch/Haber-Bosch type gas-grain reactions after the meteorite parent body cooled to lower temperatures [13, 14].The analysis of the abundances and distribution of the organic molecules present in meteorites helps to determine the physical and chemical conditions of the early solar system, and the prebiotic organic compounds available on the early Earth.[1] Cody and Alexander (2005) GCA 69, 1085. [2] Cronin and Chang (1993) in: The Chemistry of Life’s Origin. pp. 209-258. [3] Martins and Sephton (2009) in: Amino acids, peptides and proteins in organic chemistry. pp. 1-42. [4] Martins (2011) Elements 7, 35. [5] Botta et al. (2007) MAPS 42, 81. [6] Martins et al. (2015) MAPS, in press. [7] Cooper and Cronin (1995) GCA 59, 1003. [8] Glavin et al. (2006) MAPS. 41, 889. [9] Glavin et al. (2011) MAPS 45, 1948. [10] Elsila et al. (2005) GCA 5, 1349. [11] Glavin and Dworkin (2009) PNAS 106, 5487. [12] Pizzarello et al. (2003) GCA 67, 1589. [13] Chan et al. (2012) MAPS. 47, 1502. [14] Burton et al. (2011) MAPS 46, 1703.

Selectivity mapping of the binding sites of (E)-resveratrol imprinted polymers using structurally diverse polyphenolic compounds present in Pinot noir grape skins.

PubMed

Hashim, Shima N N S; Schwarz, Lachlan J; Danylec, Basil; Potdar, Mahesh K; Boysen, Reinhard I; Hearn, Milton T W

2016-12-01

This investigation describes a general procedure for the selectivity mapping of molecularly imprinted polymers, using (E)-resveratrol-imprinted polymers as the exemplar, and polyphenolic compounds present in Pinot noir grape skin extracts as the test compounds. The procedure is based on the analysis of samples generated before and after solid-phase extraction of (E)-resveratrol and other polyphenols contained within the Pinot noir grape skins using (E)-resveratrol-imprinted polymers. Capillary reversed-phase high-performance liquid chromatography (RP-HPLC) and electrospray ionisation tandem mass spectrometry (ESI MS/MS) was then employed for compound analysis and identification. Under optimised solid-phase extraction conditions, the (E)-resveratrol-imprinted polymer showed high binding affinity and selectivity towards (E)-resveratrol, whilst no resveratrol was bound by the corresponding non-imprinted polymer. In addition, quercetin-3-O-glucuronide and a dimer of catechin-methyl-5-furfuraldehyde, which share some structural features with (E)-resveratrol, were also bound by the (E)-resveratrol-imprinted polymer. Polyphenols that were non-specifically retained by both the imprinted and non-imprinted polymer were (+)-catechin, a B-type procyanidin and (-)-epicatechin. The compounds that did not bind to the (E)-resveratrol molecularly imprinted polymer had at least one of the following molecular characteristics in comparison to the (E)-resveratrol template: (i) different spatial arrangements of their phenolic hydroxyl groups, (ii) less than three or more than four phenolic hydroxyl groups, or (iii) contained a bulky substituent moiety. The results show that capillary RP-HPLC in conjunction with ESI MS/MS represent very useful techniques for mapping the selectivity of the binding sites of imprinted polymer. Moreover, this procedure permits performance monitoring of the characteristics of molecularly imprinted polymers intended for solid-phase extraction of bioactive and nutraceutical molecules from diverse agricultural waste sources. Copyright © 2016 Elsevier B.V. All rights reserved.

Mechanism of antihypertensive effect of Mucuna pruriens L. seed extract and its isolated compounds.

PubMed

Khan, Mohammad Yaseen; Kumar, Vimal

2017-06-21

Background In the search of safe and effective lead molecules from natural sources, Mucuna pruriens (MP) L. (Fabaceae) seeds were utilized for exploring the antihypertensive potential. Traditionally, it is used as diuretic and hypotensive. Methods Bioassay-guided fractions were utilized for the isolation of active compounds by column chromatography. IC50 value, enzyme kinetics and inhibition mechanism were determined. In vivo time and dose-dependent hypotensive study followed by changes in mean arterial pressure (MAP) induced by angiotensin I (3 nmol/kg), angiotensin II (3 nmol/kg), and bradykinin (10 nmol/kg) in anesthetized rats was done. Plasma and tissue angiotensin I-converting enzyme (ACE) activities were also determined. Results Phytochemical analysis by spectroscopic techniques revealed the presence of known compounds like genistein, ursolic acid and L-DOPA from the ethyl acetate and water fraction, respectively. In vitro study revealed MP ethyl acetate (MPEA) fraction and genistein as the most active fraction (IC50 156.45 µg/mL) and compound (IC50 253.81 µM), respectively. Lineweaver-Burk plots revealed a non-competitive mode of inhibition. ACE protein precipitation was the suggested mechanism for inhibition. The extract showed a time- and dose-dependent decrease in MAP. Genistein was able to dose-dependently reduce the MAP, up to 53±1.5 mmHg (40 mg/kg, i.v.). As compared to control, it showed a dose-dependent decrease in plasma ACE activity of 40.61 % and 54.76 % at 10 mg/kg and 20 mg/kg, respectively. It also decreased the ACE activity in the aorta (107.67nM/ml min at 10 mg, p<0.001; 95.33nM/ml min at 20 mg p<0.001). Captopril was used as a standard for various in vitro and in vivo assays. Conclusions The study revealed the antihypertensive potential of MP seed compounds via ACE inhibition.

Development of predictive pharmacophore model for in silico screening, and 3D QSAR CoMFA and CoMSIA studies for lead optimization, for designing of potent tumor necrosis factor alpha converting enzyme inhibitors

NASA Astrophysics Data System (ADS)

Murumkar, Prashant Revan; Zambre, Vishal Prakash; Yadav, Mange Ram

2010-02-01

A chemical feature-based pharmacophore model was developed for Tumor Necrosis Factor-α converting enzyme (TACE) inhibitors. A five point pharmacophore model having two hydrogen bond acceptors (A), one hydrogen bond donor (D) and two aromatic rings (R) with discrete geometries as pharmacophoric features was developed. The pharmacophore model so generated was then utilized for in silico screening of a database. The pharmacophore model so developed was validated by using four compounds having proven TACE inhibitory activity which were grafted into the database. These compounds mapped well onto the five listed pharmacophoric features. This validated pharmacophore model was also used for alignment of molecules in CoMFA and CoMSIA analysis. The contour maps of the CoMFA/CoMSIA models were utilized to provide structural insight for activity improvement of potential novel TACE inhibitors. The pharmacophore model so developed could be used for in silico screening of any commercial/in house database for identification of TACE inhibiting lead compounds, and the leads so identified could be optimized using the developed CoMSIA model. The present work highlights the tremendous potential of the two mutually complementary ligand-based drug designing techniques (i.e. pharmacophore mapping and 3D-QSAR analysis) using TACE inhibitors as prototype biologically active molecules.

Rapid recognition of volatile organic compounds with colorimetric sensor arrays for lung cancer screening.

PubMed

Zhong, Xianhua; Li, Dan; Du, Wei; Yan, Mengqiu; Wang, You; Huo, Danqun; Hou, Changjun

2018-06-01

Volatile organic compounds (VOCs) in breath can be used as biomarkers to identify early stages of lung cancer. Herein, we report a disposable colorimetric array that has been constructed from diverse chemo-responsive colorants. Distinguishable difference maps were plotted within 4 min for specifically targeted VOCs. Through the consideration of various chemical interactions with VOCs, the arrays successfully discriminate between 20 different volatile organic compounds in breath that are related to lung cancer. VOCs were identified either with the visualized difference maps or through pattern recognition with an accuracy of at least 90%. No uncertainties or errors were observed in the hierarchical cluster analysis (HCA). Finally, good reproducibility and stability of the array was achieved against changes in humidity. Generally, this work provides fundamental support for construction of simple and rapid VOC sensors. More importantly, this approach provides a hypothesis-free array method for breath testing via VOC profiling. Therefore, this small, rapid, non-invasive, inexpensive, and visualized sensor array is a powerful and promising tool for early screening of lung cancer. Graphical abstract A disposable colorimetric array has been developed with broadly chemo-responsive dyes to incorporate various chemical interactions, through which the arrays successfully discriminate 20 VOCs that are related to lung cancer via difference maps alone or chemometrics within 4 min. The hydrophobic porous matrix provides good stability against changes in humidity.

Lack of association between the occurrence of Crohn's disease and occupational exposure to dairy and beef cattle herds infected with Mycobacterium avium subspecies paratuberculosis.

PubMed

Qual, D A; Kaneene, J B; Varty, T J; Miller, R; Thoen, C O

2010-06-01

A cross-sectional survey was conducted to identify associations between Crohn's disease (CD) and Mycobacterium avium ssp. paratuberculosis (Map) exposure. A questionnaire was used to collect information on exposure to cattle infected with Map, and personal and family history of CD in dairy and beef cattle producers with and without Map-infected herds, and in veterinarians who did or did not have contact with Map-infected herds. Cases of CD were selected from respondents and matched 1:4 with controls on occupation, age, and sex. Multivariable conditional logistic regression was used to assess associations between Map exposure and CD. There were 3 cases of CD in 702 producers and 4 cases in 774 veterinarians, yielding a prevalence of 0.47%. No association was found between exposure to JD and CD in any phase of the analysis. However, the number of cases of CD is not large and limits the power to detect important differences. 2010 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A case study for the integration of predictive mineral potential maps

NASA Astrophysics Data System (ADS)

Lee, Saro; Oh, Hyun-Joo; Heo, Chul-Ho; Park, Inhye

2014-09-01

This study aims to elaborate on the mineral potential maps using various models and verify the accuracy for the epithermal gold (Au) — silver (Ag) deposits in a Geographic Information System (GIS) environment assuming that all deposits shared a common genesis. The maps of potential Au and Ag deposits were produced by geological data in Taebaeksan mineralized area, Korea. The methodological framework consists of three main steps: 1) identification of spatial relationships 2) quantification of such relationships and 3) combination of multiple quantified relationships. A spatial database containing 46 Au-Ag deposits was constructed using GIS. The spatial association between training deposits and 26 related factors were identified and quantified by probabilistic and statistical modelling. The mineral potential maps were generated by integrating all factors using the overlay method and recombined afterwards using the likelihood ratio model. They were verified by comparison with test mineral deposit locations. The verification revealed that the combined mineral potential map had the greatest accuracy (83.97%), whereas it was 72.24%, 65.85%, 72.23% and 71.02% for the likelihood ratio, weight of evidence, logistic regression and artificial neural network models, respectively. The mineral potential map can provide useful information for the mineral resource development.

A Semi-Supervised Approach for Refining Transcriptional Signatures of Drug Response and Repositioning Predictions

PubMed Central

Iorio, Francesco; Shrestha, Roshan L.; Levin, Nicolas; Boilot, Viviane; Garnett, Mathew J.; Saez-Rodriguez, Julio; Draviam, Viji M.

2015-01-01

We present a novel strategy to identify drug-repositioning opportunities. The starting point of our method is the generation of a signature summarising the consensual transcriptional response of multiple human cell lines to a compound of interest (namely the seed compound). This signature can be derived from data in existing databases, such as the connectivity-map, and it is used at first instance to query a network interlinking all the connectivity-map compounds, based on the similarity of their transcriptional responses. This provides a drug neighbourhood, composed of compounds predicted to share some effects with the seed one. The original signature is then refined by systematically reducing its overlap with the transcriptional responses induced by drugs in this neighbourhood that are known to share a secondary effect with the seed compound. Finally, the drug network is queried again with the resulting refined signatures and the whole process is carried on for a number of iterations. Drugs in the final refined neighbourhood are then predicted to exert the principal mode of action of the seed compound. We illustrate our approach using paclitaxel (a microtubule stabilising agent) as seed compound. Our method predicts that glipizide and splitomicin perturb microtubule function in human cells: a result that could not be obtained through standard signature matching methods. In agreement, we find that glipizide and splitomicin reduce interphase microtubule growth rates and transiently increase the percentage of mitotic cells–consistent with our prediction. Finally, we validated the refined signatures of paclitaxel response by mining a large drug screening dataset, showing that human cancer cell lines whose basal transcriptional profile is anti-correlated to them are significantly more sensitive to paclitaxel and docetaxel. PMID:26452147

Is performance in task-cuing experiments mediated by task set selection or associative compound retrieval?

PubMed

Forrest, Charlotte L D; Monsell, Stephen; McLaren, Ian P L

2014-07-01

Task-cuing experiments are usually intended to explore control of task set. But when small stimulus sets are used, they plausibly afford learning of the response associated with a combination of cue and stimulus, without reference to tasks. In 3 experiments we presented the typical trials of a task-cuing experiment: a cue (colored shape) followed, after a short or long interval, by a digit to which 1 of 2 responses was required. In a tasks condition, participants were (as usual) directed to interpret the cue as an instruction to perform either an odd/even or a high/low classification task. In a cue + stimulus → response (CSR) condition, to induce learning of mappings between cue-stimulus compound and response, participants were, in Experiment 1, given standard task instructions and additionally encouraged to learn the CSR mappings; in Experiment 2, informed of all the CSR mappings and asked to learn them, without standard task instructions; in Experiment 3, required to learn the mappings by trial and error. The effects of a task switch, response congruence, preparation, and transfer to a new set of stimuli differed substantially between the conditions in ways indicative of classification according to task rules in the tasks condition, and retrieval of responses specific to stimulus-cue combinations in the CSR conditions. Qualitative features of the latter could be captured by an associative learning network. Hence associatively based compound retrieval can serve as the basis for performance with a small stimulus set. But when organization by tasks is apparent, control via task set selection is the natural and efficient strategy. PsycINFO Database Record (c) 2014 APA, all rights reserved.

Mapping Asian anthropogenic emissions of non-methane volatile organic compounds to multiple chemical mechanisms

NASA Astrophysics Data System (ADS)

Li, M.; Zhang, Q.; Streets, D. G.; He, K. B.; Cheng, Y. F.; Emmons, L. K.; Huo, H.; Kang, S. C.; Lu, Z.; Shao, M.; Su, H.; Yu, X.; Zhang, Y.

2014-06-01

An accurate speciation mapping of non-methane volatile organic compounds (NMVOC) emissions has an important impact on the performance of chemical transport models (CTMs) in simulating ozone mixing ratios and secondary organic aerosols. Taking the INTEX-B Asian NMVOC emission inventory as the case, we developed an improved speciation framework to generate model-ready anthropogenic NMVOC emissions for various gas-phase chemical mechanisms commonly used in CTMs in this work, by using an explicit assignment approach and updated NMVOC profiles. NMVOC profiles were selected and aggregated from a wide range of new measurements and the SPECIATE database v.4.2. To reduce potential uncertainty from individual measurements, composite profiles were developed by grouping and averaging source profiles from the same category. The fractions of oxygenated volatile organic compounds (OVOC) were corrected during the compositing process for those profiles which used improper sampling and analyzing methods. Emissions of individual species were then lumped into species in different chemical mechanisms used in CTMs by applying mechanism-dependent species mapping tables, which overcomes the weakness of inaccurate mapping in previous studies. Emission estimates for individual NMVOC species differ between one and three orders of magnitude for some species when different sets of profiles are used, indicating that source profile is the most important source of uncertainties of individual species emissions. However, those differences are diminished in lumped species as a result of the lumping in the chemical mechanisms. Gridded emissions for eight chemical mechanisms at 30 min × 30 min resolution as well as the auxiliary data are available at http://mic.greenresource.cn/intex-b2006. The framework proposed in this work can be also used to develop speciated NMVOC emissions for other regions.

Mapping Asian anthropogenic emissions of non-methane volatile organic compounds to multiple chemical mechanisms

NASA Astrophysics Data System (ADS)

Li, M.; Zhang, Q.; Streets, D. G.; He, K. B.; Cheng, Y. F.; Emmons, L. K.; Huo, H.; Kang, S. C.; Lu, Z.; Shao, M.; Su, H.; Yu, X.; Zhang, Y.

2013-12-01

An accurate speciation mapping of non-methane volatile organic compounds (NMVOC) emissions has an important impact on the performance of chemical transport models (CTMs) in simulating ozone mixing ratios and secondary organic aerosols. In this work, we developed an improved speciation framework to generate model-ready anthropogenic Asian NMVOC emissions for various gas-phase chemical mechanisms commonly used in CTMs by using an explicit assignment approach and updated NMVOC profiles, based on the total NMVOC emissions in the INTEX-B Asian inventory for the year 2006. NMVOC profiles were selected and aggregated from a wide range of new measurements and the SPECIATE database. To reduce potential uncertainty from individual measurements, composite profiles were developed by grouping and averaging source profiles from the same category. The fractions of oxygenated volatile organic compounds (OVOC) were corrected during the compositing process for those profiles which used improper sampling and analyzing methods. Emissions of individual species were then lumped into species in different chemical mechanisms used in CTMs by applying mechanism-dependent species mapping tables, which overcomes the weakness of inaccurate mapping in previous studies. Gridded emissions for eight chemical mechanisms are developed at 30 min × 30 min resolution using various spatial proxies and are provided through the website: http://mic.greenresource.cn/intex-b2006. Emission estimates for individual NMVOC species differ between one and three orders of magnitude for some species when different sets of profiles are used, indicating that source profile is the most important source of uncertainties of individual species emissions. However, those differences are diminished in lumped species as a result of the lumping in the chemical mechanisms.

In Vivo Volatile Organic Compound Signatures of Mycobacterium avium subsp. paratuberculosis

PubMed Central

Bergmann, Andreas; Trefz, Phillip; Fischer, Sina; Klepik, Klaus; Walter, Gudrun; Steffens, Markus; Ziller, Mario; Schubert, Jochen K.; Reinhold, Petra; Köhler, Heike; Miekisch, Wolfram

2015-01-01

Mycobacterium avium ssp. paratuberculosis (MAP) is the causative agent of a chronic enteric disease of ruminants. Available diagnostic tests are complex and slow. In vitro, volatile organic compound (VOC) patterns emitted from MAP cultures mirrored bacterial growth and enabled distinction of different strains. This study was intended to determine VOCs in vivo in the controlled setting of an animal model. VOCs were pre-concentrated from breath and feces of 42 goats (16 controls and 26 MAP-inoculated animals) by means of needle trap microextraction (breath) and solid phase microextraction (feces) and analyzed by gas chromatography/ mass spectrometry. Analyses were performed 18, 29, 33, 41 and 48 weeks after inoculation. MAP-specific antibodies and MAP-specific interferon-γ-response were determined from blood. Identities of all marker-VOCs were confirmed through analysis of pure reference substances. Based on detection limits in the high pptV and linear ranges of two orders of magnitude more than 100 VOCs could be detected in breath and in headspace over feces. Twenty eight substances differed between inoculated and non-inoculated animals. Although patterns of most prominent substances such as furans, oxygenated substances and hydrocarbons changed in the course of infection, differences between inoculated and non-inoculated animals remained detectable at any time for 16 substances in feces and 3 VOCs in breath. Differences of VOC concentrations over feces reflected presence of MAP bacteria. Differences in VOC profiles from breath were linked to the host response in terms of interferon-γ-response. In a perspective in vivo analysis of VOCs may help to overcome limitations of established tests. PMID:25915653

Intraoperative cochlear nerve mapping with the mobile cochlear nerve compound action potential tracer in vestibular schwannoma surgery.

PubMed

Watanabe, Nobuyuki; Ishii, Takuya; Fujitsu, Kazuhiko; Kaku, Shogo; Ichikawa, Teruo; Miyahara, Kosuke; Okada, Tomu; Tanino, Shin; Uriu, Yasuhiro; Murayama, Yuichi

2018-05-18

OBJECTIVE The authors describe the usefulness and limitations of the cochlear nerve compound action potential (CNAP) mobile tracer (MCT) that they developed to aid in cochlear nerve mapping during vestibular schwannoma surgery (VSS) for hearing preservation. METHODS This MCT device requires no more than 2 seconds for stable placement on the nerve to obtain the CNAP and thus is able to trace the cochlear nerve instantaneously. Simultaneous bipolar and monopolar recording is possible. The authors present the outcomes of 18 consecutive patients who underwent preoperative useful hearing (defined as class I or II of the Gardner-Robertson classification system) and underwent hearing-preservation VSS with the use of the MCT. Mapping was considered successful when it was possible to detect and trace the cochlear nerve. RESULTS Mapping of the cochlear nerve was successful in 13 of 18 patients (72.2%), and useful hearing was preserved in 11 patients (61.1%). Among 8 patients with large tumors (Koos grade 3 or 4), the rate of successful mapping was 62.5% (5 patients). The rate of hearing preservation in patients with large tumors was 50% (4 patients). CONCLUSIONS In addition to microsurgical presumption of the arrangement of each nerve, frequent probing on and around an unidentified nerve and comparison of each waveform are advisable with the use of both more sensitive monopolar and more location-specific bipolar MCT. MCT proved to be useful in cochlear nerve mapping and may consequently be helpful in hearing preservation. The authors discuss some limitations and problems with this device.

a Review of Recent Research in Indoor Modelling & Mapping

NASA Astrophysics Data System (ADS)

Gunduz, M.; Isikdag, U.; Basaraner, M.

2016-06-01

Indoor modeling and mapping has been an active area of research in last 20 years in order to tackle the problems related to positioning and tracking of people and objects indoors, and provides many opportunities for several domains ranging from emergency response to logistics in micro urban spaces. The outputs of recent research in the field have been presented in several scientific publications and events primarily related to spatial information science and technology. This paper summarizes the outputs of last 10 years of research on indoor modeling and mapping within a proper classification which covers 7 areas, i.e. Information Acquisition by Sensors, Model Definition, Model Integration, Indoor Positioning and LBS, Routing & Navigation Methods, Augmented and Virtual Reality Applications, and Ethical Issues. Finally, the paper outlines the current and future research directions and concluding remarks.

Distinguishability notion based on Wootters statistical distance: Application to discrete maps

NASA Astrophysics Data System (ADS)

Gomez, Ignacio S.; Portesi, M.; Lamberti, P. W.

2017-08-01

We study the distinguishability notion given by Wootters for states represented by probability density functions. This presents the particularity that it can also be used for defining a statistical distance in chaotic unidimensional maps. Based on that definition, we provide a metric d ¯ for an arbitrary discrete map. Moreover, from d ¯ , we associate a metric space with each invariant density of a given map, which results to be the set of all distinguished points when the number of iterations of the map tends to infinity. Also, we give a characterization of the wandering set of a map in terms of the metric d ¯ , which allows us to identify the dissipative regions in the phase space. We illustrate the results in the case of the logistic and the circle maps numerically and analytically, and we obtain d ¯ and the wandering set for some characteristic values of their parameters. Finally, an extension of the metric space associated for arbitrary probability distributions (not necessarily invariant densities) is given along with some consequences. The statistical properties of distributions given by histograms are characterized in terms of the cardinal of the associated metric space. For two conjugate variables, the uncertainty principle is expressed in terms of the diameters of the associated metric space with those variables.

A molecular topology approach to predicting pesticide pollution of groundwater

USGS Publications Warehouse

Worrall , Fred

2001-01-01

Various models have proposed methods for the discrimination of polluting and nonpolluting compounds on the basis of simple parameters, typically adsorption and degradation constants. However, such attempts are prone to site variability and measurement error to the extent that compounds cannot be reliably classified nor the chemistry of pollution extrapolated from them. Using observations of pesticide occurrence in U.S. groundwater it is possible to show that polluting from nonpolluting compounds can be distinguished purely on the basis of molecular topology. Topological parameters can be derived without measurement error or site-specific variability. A logistic regression model has been developed which explains 97% of the variation in the data, with 86% of the variation being explained by the rule that a compound will be found in groundwater if 6 < 0.55. Where 6χp is the sixth-order molecular path connectivity. One group of compounds cannot be classified by this rule and prediction requires reference to higher order connectivity parameters. The use of molecular approaches for understanding pollution at the molecular level and their application to agrochemical development and risk assessment is discussed.

Meat-Related Compounds and Colorectal Cancer Risk by Anatomical Subsite

PubMed Central

Miller, Paige E.; Lazarus, Philip; Lesko, Samuel M.; Cross, Amanda J.; Sinha, Rashmi; Laio, Jason; Zhu, Jay; Harper, Gregory; Muscat, Joshua E.; Hartman, Terryl J.

2012-01-01

Since meat may be involved in the etiology of colorectal cancer, associations between meat-related compounds were examined to elucidate underlying mechanisms in a population-based case-control study. Participants (989 cases/1,033 healthy controls) completed a food frequency questionnaire with a meat-specific module. Multivariable logistic regression was used to examine associations between meat variables and colorectal cancer; polytomous logistic regression was used for subsite-specific analyses. The following significant positive associations were observed for meat-related compounds: 2-amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline (DiMeIQx) and colorectal, distal colon, and rectal tumors; 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx) and colorectal and colon cancer tumors; nitrites/nitrates and proximal colon cancer; 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) and rectal cancer; and benzo[a]pyrene and rectal cancer (P-trends < 0.05 ). For analyses by meat type, cooking method, and doneness preference, positive associations between red processed meat and proximal colon cancer and pan-fried red meat and colorectal cancer were found (P-trends < 0.05). Inverse associations were observed between unprocessed poultry and colorectal, colon, proximal colon, and rectal tumors; grilled/barbequed poultry and proximal colon cancer; and well-done/charred poultry and colorectal, colon, and proximal colon tumors (P-trends < 0.05). HCAs, PAHs, nitrites, and nitrates may be involved in colorectal cancer etiology. Further examination into the unexpected inverse associations between poultry and colorectal cancer is warranted. PMID:23441608

Meat-related compounds and colorectal cancer risk by anatomical subsite.

PubMed

Miller, Paige E; Lazarus, Philip; Lesko, Samuel M; Cross, Amanda J; Sinha, Rashmi; Laio, Jason; Zhu, Jay; Harper, Gregory; Muscat, Joshua E; Hartman, Terryl J

2013-01-01

Since meat may be involved in the etiology of colorectal cancer, associations between meat-related compounds were examined to elucidate underlying mechanisms in a population-based case-control study. Participants (989 cases/1,033 healthy controls) completed a food frequency questionnaire with a meat-specific module. Multivariable logistic regression was used to examine associations between meat variables and colorectal cancer; polytomous logistic regression was used for subsite-specific analyses. The following significant positive associations were observed for meat-related compounds: 2-amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline (DiMeIQx) and colorectal, distal colon, and rectal tumors; 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx) and colorectal and colon cancer tumors; nitrites/nitrates and proximal colon cancer; 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) and rectal cancer; and benzo[a]pyrene and rectal cancer (P-trends < 0.05). For analyses by meat type, cooking method, and doneness preference, positive associations between red processed meat and proximal colon cancer and pan-fried red meat and colorectal cancer were found (P-trends < 0.05). Inverse associations were observed between unprocessed poultry and colorectal, colon, proximal colon, and rectal tumors; grilled/barbequed poultry and proximal colon cancer; and well-done/charred poultry and colorectal, colon, and proximal colon tumors (P-trends < 0.05). HCAs, PAHs, nitrites, and nitrates may be involved in colorectal cancer etiology. Further examination into the unexpected inverse associations between poultry and colorectal cancer is warranted.

Landslide Susceptibility Analysis by the comparison and integration of Random Forest and Logistic Regression methods; application to the disaster of Nova Friburgo - Rio de Janeiro, Brasil (January 2011)

NASA Astrophysics Data System (ADS)

Esposito, Carlo; Barra, Anna; Evans, Stephen G.; Scarascia Mugnozza, Gabriele; Delaney, Keith

2014-05-01

The study of landslide susceptibility by multivariate statistical methods is based on finding a quantitative relationship between controlling factors and landslide occurrence. Such studies have become popular in the last few decades thanks to the development of geographic information systems (GIS) software and the related improved data management. In this work we applied a statistical approach to an area of high landslide susceptibility mainly due to its tropical climate and geological-geomorphological setting. The study area is located in the south-east region of Brazil that has frequently been affected by flood and landslide hazard, especially because of heavy rainfall events during the summer season. In this work we studied a disastrous event that occurred on January 11th and 12th of 2011, which involved Região Serrana (the mountainous region of Rio de Janeiro State) and caused more than 5000 landslides and at least 904 deaths. In order to produce susceptibility maps, we focused our attention on an area of 93,6 km2 that includes Nova Friburgo city. We utilized two different multivariate statistic methods: Logistic Regression (LR), already widely used in applied geosciences, and Random Forest (RF), which has only recently been applied to landslide susceptibility analysis. With reference to each mapping unit, the first method (LR) results in a probability of landslide occurrence, while the second one (RF) gives a prediction in terms of % of area susceptible to slope failure. With this aim in mind, a landslide inventory map (related to the studied event) has been drawn up through analyses of high-resolution GeoEye satellite images, in a GIS environment. Data layers of 11 causative factors have been created and processed in order to be used as continuous numerical or discrete categorical variables in statistical analysis. In particular, the logistic regression method has frequent difficulties in managing numerical continuous and discrete categorical variables together; therefore in our work we tried different methods to process categorical variables , until we obtained a statistically significant model. The outcomes of the two statistical methods (RF and LR) have been tested with a spatial validation and gave us two susceptibility maps. The significance of the models is quantified in terms of Area Under ROC Curve (AUC resulted in 0.81 for RF model and in 0.72 for LR model). In the first instance, a graphical comparison of the two methods shows a good correspondence between them. Further, we integrated results in a unique susceptibility map which maintains both information of probability of occurrence and % of area of landslide detachment, resulting from LR and RF respectively. In fact, in view of a landslide susceptibility classification of the study area, the former is less accurate but gives easily classifiable results, while the latter is more accurate but the results can be only subjectively classified. The obtained "integrated" susceptibility map preserves information about the probability that a given % of area could fail for each mapping unit.

Design of a general-purpose European compound screening library for EU-OPENSCREEN.

PubMed

Horvath, Dragos; Lisurek, Michael; Rupp, Bernd; Kühne, Ronald; Specker, Edgar; von Kries, Jens; Rognan, Didier; Andersson, C David; Almqvist, Fredrik; Elofsson, Mikael; Enqvist, Per-Anders; Gustavsson, Anna-Lena; Remez, Nikita; Mestres, Jordi; Marcou, Gilles; Varnek, Alexander; Hibert, Marcel; Quintana, Jordi; Frank, Ronald

2014-10-01

This work describes a collaborative effort to define and apply a protocol for the rational selection of a general-purpose screening library, to be used by the screening platforms affiliated with the EU-OPENSCREEN initiative. It is designed as a standard source of compounds for primary screening against novel biological targets, at the request of research partners. Given the general nature of the potential applications of this compound collection, the focus of the selection strategy lies on ensuring chemical stability, absence of reactive compounds, screening-compliant physicochemical properties, loose compliance to drug-likeness criteria (as drug design is a major, but not exclusive application), and maximal diversity/coverage of chemical space, aimed at providing hits for a wide spectrum of drugable targets. Finally, practical availability/cost issues cannot be avoided. The main goal of this publication is to inform potential future users of this library about its conception, sources, and characteristics. The outline of the selection procedure, notably of the filtering rules designed by a large committee of European medicinal chemists and chemoinformaticians, may be of general methodological interest for the screening/medicinal chemistry community. The selection task of 200K molecules out of a pre-filtered set of 1.4M candidates was shared by five independent European research groups, each picking a subset of 40K compounds according to their own in-house methodology and expertise. An in-depth analysis of chemical space coverage of the library serves not only to characterize the collection, but also to compare the various chemoinformatics-driven selection procedures of maximal diversity sets. Compound selections contributed by various participating groups were mapped onto general-purpose self-organizing maps (SOMs) built on the basis of marketed drugs and bioactive reference molecules. In this way, the occupancy of chemical space by the EU-OPENSCREEN library could be directly compared with distributions of known bioactives of various classes. This mapping highlights the relevance of the selection and shows how the consensus reached by merging the five different 40K selections contributes to achieve this relevance. The approach also allows one to readily identify subsets of target- or target-class-oriented compounds from the EU-OPENSCREEN library to suit the needs of the diverse range of potential users. The final EU-OPENSCREEN library, assembled by merging five independent selections of 40K compounds from various expert groups, represents an excellent example of a Europe-wide collaborative effort toward the common objective of building best-in-class European open screening platforms. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Proposal for Phase 4 of the Forest Inventory and Analysis Program

Treesearch

Ronald E. McRoberts

2005-01-01

Maps of forest cover were constructed using observations from forest inventory plots, Landsat Thematic Mapper satellite imagery, and a logistic regression model. Estimates of mean proportion forest area and the variance of the mean were calculated for circular study areas with radii ranging from 1 km to 15 km. The spatial correlation among pixel predictions was...

An Iterative Maximum a Posteriori Estimation of Proficiency Level to Detect Multiple Local Likelihood Maxima

ERIC Educational Resources Information Center

Magis, David; Raiche, Gilles

2010-01-01

In this article the authors focus on the issue of the nonuniqueness of the maximum likelihood (ML) estimator of proficiency level in item response theory (with special attention to logistic models). The usual maximum a posteriori (MAP) method offers a good alternative within that framework; however, this article highlights some drawbacks of its…

Geomorphic controls on salmon nesting patterns described by a new, narrow-beam terrestrial-aquatic lidar

Treesearch

Jim A. McKean; Dan J. Isaak; Charles W. Wright

2008-01-01

Riverine aquatic biodiversity is rapidly being lost worldwide, but preservation efforts are hampered, in part because studies of these dynamic environments are limited by cost and logistics to small local surveys. Full understanding of stream ecosystems requires precise, high-resolution mapping of entire stream networks and adjacent landforms. We use a narrow-beam,...

Noisy coupled logistic maps in the vicinity of chaos threshold.

PubMed

Tirnakli, Ugur; Tsallis, Constantino

2016-04-01

We focus on a linear chain of N first-neighbor-coupled logistic maps in the vicinity of their edge of chaos in the presence of a common noise. This model, characterised by the coupling strength ϵ and the noise width σmax, was recently introduced by Pluchino et al. [Phys. Rev. E 87, 022910 (2013)]. They detected, for the time averaged returns with characteristic return time τ, possible connections with q-Gaussians, the distributions which optimise, under appropriate constraints, the nonadditive entropy, Sq, basis of nonextensive statistics mechanics. Here, we take a closer look on this model, and numerically obtain probability distributions which exhibit a slight asymmetry for some parameter values, in variance with simple q-Gaussians. Nevertheless, along many decades, the fitting with q-Gaussians turns out to be numerically very satisfactory for wide regions of the parameter values, and we illustrate how the index q evolves with (N,τ,ϵ,σmax). It is nevertheless instructive on how careful one must be in such numerical analysis. The overall work shows that physical and/or biological systems that are correctly mimicked by this model are thermostatistically related to nonextensive statistical mechanics when time-averaged relevant quantities are studied.

Analysis of Investment IT Planning on Logistic Company Using COBIT 5

NASA Astrophysics Data System (ADS)

Fachri Pane, Syafrial; Maulana Awangga, Rolly; Nuraini, Rd.; Fathonah, Siti

2018-04-01

IT Investment planning to review goals business strategy development needs to support IT governance. Planning its investments will be assessed with a framework is issued by ISACA that COBIT 5 focus on domain EDM, APO, BAI, and MEA. Mapping from framework COBIT 5 with Val IT lead nine domain consisting of EDM01, EDM02, APO01, APO02, APO05, APO06, APO07, BAI01, and MEA01. Article search google using RACI diagram generating mapping organisation telecoms and authority structures for the review identify respondents from any domain. Under selected area be used to review counting process capability level, and for a discussion of development, priorities make recommendations shall perform in accordance process needs PT.XYZ logistics company. The translating process capability level determined by the company prior currently at on level 4. The capability level domain process in the EDM is level 4, while at domain APO, BAI, and MEA are on level 3 and gap on APO, BAI, and MEA. The company recommendation domain subscription APO, BAI, and MEA to increase the capabilities of the rate review process to achieve the targets that have can determine the company.

Stretched exponential dynamics of coupled logistic maps on a small-world network

NASA Astrophysics Data System (ADS)

Mahajan, Ashwini V.; Gade, Prashant M.

2018-02-01

We investigate the dynamic phase transition from partially or fully arrested state to spatiotemporal chaos in coupled logistic maps on a small-world network. Persistence of local variables in a coarse grained sense acts as an excellent order parameter to study this transition. We investigate the phase diagram by varying coupling strength and small-world rewiring probability p of nonlocal connections. The persistent region is a compact region bounded by two critical lines where band-merging crisis occurs. On one critical line, the persistent sites shows a nonexponential (stretched exponential) decay for all p while for another one, it shows crossover from nonexponential to exponential behavior as p → 1 . With an effectively antiferromagnetic coupling, coupling to two neighbors on either side leads to exchange frustration. Apart from exchange frustration, non-bipartite topology and nonlocal couplings in a small-world network could be a reason for anomalous relaxation. The distribution of trap times in asymptotic regime has a long tail as well. The dependence of temporal evolution of persistence on initial conditions is studied and a scaling form for persistence after waiting time is proposed. We present a simple possible model for this behavior.

Noisy coupled logistic maps in the vicinity of chaos threshold

NASA Astrophysics Data System (ADS)

Tirnakli, Ugur; Tsallis, Constantino

2016-04-01

We focus on a linear chain of N first-neighbor-coupled logistic maps in the vicinity of their edge of chaos in the presence of a common noise. This model, characterised by the coupling strength ɛ and the noise width σmax, was recently introduced by Pluchino et al. [Phys. Rev. E 87, 022910 (2013)]. They detected, for the time averaged returns with characteristic return time τ, possible connections with q-Gaussians, the distributions which optimise, under appropriate constraints, the nonadditive entropy, Sq, basis of nonextensive statistics mechanics. Here, we take a closer look on this model, and numerically obtain probability distributions which exhibit a slight asymmetry for some parameter values, in variance with simple q-Gaussians. Nevertheless, along many decades, the fitting with q-Gaussians turns out to be numerically very satisfactory for wide regions of the parameter values, and we illustrate how the index q evolves with ( N , τ , ɛ , σ m a x ) . It is nevertheless instructive on how careful one must be in such numerical analysis. The overall work shows that physical and/or biological systems that are correctly mimicked by this model are thermostatistically related to nonextensive statistical mechanics when time-averaged relevant quantities are studied.

Privacy-Aware Image Encryption Based on Logistic Map and Data Hiding

NASA Astrophysics Data System (ADS)

Sun, Jianglin; Liao, Xiaofeng; Chen, Xin; Guo, Shangwei

The increasing need for image communication and storage has created a great necessity for securely transforming and storing images over a network. Whereas traditional image encryption algorithms usually consider the security of the whole plain image, region of interest (ROI) encryption schemes, which are of great importance in practical applications, protect the privacy regions of plain images. Existing ROI encryption schemes usually adopt approximate techniques to detect the privacy region and measure the quality of encrypted images; however, their performance is usually inconsistent with a human visual system (HVS) and is sensitive to statistical attacks. In this paper, we propose a novel privacy-aware ROI image encryption (PRIE) scheme based on logistical mapping and data hiding. The proposed scheme utilizes salient object detection to automatically, adaptively and accurately detect the privacy region of a given plain image. After private pixels have been encrypted using chaotic cryptography, the significant bits are embedded into the nonprivacy region of the plain image using data hiding. Extensive experiments are conducted to illustrate the consistency between our automatic ROI detection and HVS. Our experimental results also demonstrate that the proposed scheme exhibits satisfactory security performance.

Innovative hyperchaotic encryption algorithm for compressed video

NASA Astrophysics Data System (ADS)

Yuan, Chun; Zhong, Yuzhuo; Yang, Shiqiang

2002-12-01

It is accepted that stream cryptosystem can achieve good real-time performance and flexibility which implements encryption by selecting few parts of the block data and header information of the compressed video stream. Chaotic random number generator, for example Logistics Map, is a comparatively promising substitute, but it is easily attacked by nonlinear dynamic forecasting and geometric information extracting. In this paper, we present a hyperchaotic cryptography scheme to encrypt the compressed video, which integrates Logistics Map with Z(232 - 1) field linear congruential algorithm to strengthen the security of the mono-chaotic cryptography, meanwhile, the real-time performance and flexibility of the chaotic sequence cryptography are maintained. It also integrates with the dissymmetrical public-key cryptography and implements encryption and identity authentification on control parameters at initialization phase. In accord with the importance of data in compressed video stream, encryption is performed in layered scheme. In the innovative hyperchaotic cryptography, the value and the updating frequency of control parameters can be changed online to satisfy the requirement of the network quality, processor capability and security requirement. The innovative hyperchaotic cryprography proves robust security by cryptoanalysis, shows good real-time performance and flexible implement capability through the arithmetic evaluating and test.

40 CFR 1065.510 - Engine mapping.

Code of Federal Regulations, 2010 CFR

2010-07-01

.... Configure any auxiliary work inputs and outputs such as hybrid, turbo-compounding, or thermoelectric systems... intended primarily for propulsion of a vehicle with an automatic transmission where that engine is subject...

Chromium oxidation state mapping in human cells

NASA Astrophysics Data System (ADS)

Ortega, R.; Fayard, B.; Salomé, M.; Devès, G.; Susini, J.

2003-03-01

The widespread use of chromium in industrial applications such as chemical production of pigments, refractory brick production, tanning, metallurgy, electroplating, and combustion of fuels has lead to human occupational exposure and to its increased introduction into the environment. Hexavalent chromium compounds are established carcinogens but their mechanism of cell transformation is not known. Up to now, no microanalytical technique was sensitive enough to allow the observation of chromium distribution, and oxidation state identification, within isolated cells at carcinogenic concentrations. In this experiment, we used successfully the ID-21 X-ray microscope to map Cr(VI) and total Cr distributions in cells exposed in vitro to soluble, and insoluble, Cr(VI) compounds. Exposure to soluble compounds, weak carcinogens, resulted in a homogeneous intracellular distribution of Cr, confirming by in situ measurement that Cr is present in the cell nucleus. Cr(VI) was never detected in cells which suggests a mechanism of rapid intracellular reducticn. On the other hand, exposure to insoluble compounds, strong carcinogens, also resulted in a homogeneous distribution of reduced forms of Cr in cells, and their nucleus. However, in this case, Cr(VI)-rich structures were observed into the cells suggesting that carcinogenicity is enhanced when oxidation reactions due to Cr(VI) chronic exposure are associated to Cr-DNA alterations.

Mapping Nearshore Seagrass and Colonized Hard Bottom Spatial Distribution and Percent Biological Cover in Florida, USA Using Object Based Image Analysis of WorldView-2 Satellite Imagery

NASA Astrophysics Data System (ADS)

Baumstark, R. D.; Duffey, R.; Pu, R.

2016-12-01

The offshore extent of seagrass habitat along the West Florida (USA) coast represents an important corridor for inshore-offshore migration of economically important fish and shellfish. Surviving at the fringe of light requirements, offshore seagrass beds are sensitive to changes in water clarity. Beyond and intermingled with the offshore seagrass areas are large swaths of colonized hard bottom. These offshore habitats of the West Florida coast have lacked mapping efforts needed for status and trends monitoring. The objective of this study was to propose an object-based classification method for mapping offshore habitats and to compare results to traditional photo-interpreted maps. Benthic maps depicting the spatial distribution and percent biological cover were created from WorldView-2 satellite imagery using Object Based Image Analysis (OBIA) method and a visual photo-interpretation method. A logistic regression analysis identified depth and distance from shore as significant parameters for discriminating spectrally similar seagrass and colonized hard bottom features. Seagrass, colonized hard bottom and unconsolidated sediment (sand) were mapped with 78% overall accuracy using the OBIA method compared to 71% overall accuracy using the photo-interpretation method. This study presents an alternative for mapping deeper, offshore habitats capable of producing higher thematic (percent biological cover) and spatial resolution maps compared to those created with the traditional photo-interpretation method.

Producing landslide susceptibility maps by utilizing machine learning methods. The case of Finikas catchment basin, North Peloponnese, Greece.

NASA Astrophysics Data System (ADS)

Tsangaratos, Paraskevas; Ilia, Ioanna; Loupasakis, Constantinos; Papadakis, Michalis; Karimalis, Antonios

2017-04-01

The main objective of the present study was to apply two machine learning methods for the production of a landslide susceptibility map in the Finikas catchment basin, located in North Peloponnese, Greece and to compare their results. Specifically, Logistic Regression and Random Forest were utilized, based on a database of 40 sites classified into two categories, non-landslide and landslide areas that were separated into a training dataset (70% of the total data) and a validation dataset (remaining 30%). The identification of the areas was established by analyzing airborne imagery, extensive field investigation and the examination of previous research studies. Six landslide related variables were analyzed, namely: lithology, elevation, slope, aspect, distance to rivers and distance to faults. Within the Finikas catchment basin most of the reported landslides were located along the road network and within the residential complexes, classified as rotational and translational slides, and rockfalls, mainly caused due to the physical conditions and the general geotechnical behavior of the geological formation that cover the area. Each landslide susceptibility map was reclassified by applying the Geometric Interval classification technique into five classes, namely: very low susceptibility, low susceptibility, moderate susceptibility, high susceptibility, and very high susceptibility. The comparison and validation of the outcomes of each model were achieved using statistical evaluation measures, the receiving operating characteristic and the area under the success and predictive rate curves. The computation process was carried out using RStudio an integrated development environment for R language and ArcGIS 10.1 for compiling the data and producing the landslide susceptibility maps. From the outcomes of the Logistic Regression analysis it was induced that the highest b coefficient is allocated to lithology and slope, which was 2.8423 and 1.5841, respectively. From the estimation of the mean decrease in Gini coefficient performed during the application of Random Forest and the mean decrease in accuracy the most important variable is slope followed by lithology, aspect, elevation, distance from river network, and distance from faults, while the most used variables during the training phase were the variable aspect (21.45%), slope (20.53%) and lithology (19.84%). The outcomes of the analysis are consistent with previous studies concerning the area of research, which have indicated the high influence of lithology and slope in the manifestation of landslides. High percentage of landslide occurrence has been observed in Plio-Pleistocene sediments, flysch formations, and Cretaceous limestone. Also the presences of landslides have been associated with the degree of weathering and fragmentation, the orientation of the discontinuities surfaces and the intense morphological relief. The most accurate model was Random Forest which identified correctly 92.00% of the instances during the training phase, followed by the Logistic Regression 89.00%. The same pattern of accuracy was calculated during the validation phase, in which the Random Forest achieved a classification accuracy of 93.00%, while the Logistic Regression model achieved an accuracy of 91.00%. In conclusion, the outcomes of the study could be a useful cartographic product to local authorities and government agencies during the implementation of successful decision-making and land use planning strategies. Keywords: Landslide Susceptibility, Logistic Regression, Random Forest, GIS, Greece.

OS087. Maternal characteristics, mean arterial pressure and PLGF in early prediction of preeclampsia.

PubMed

Kuc, S; Koster, M P; Franx, A; Schielen, P C; Visser, G H

2012-07-01

In a previous study, we described the predictive value of first-trimester pregnancy-associated plasma protein-A (PAPP-A), free beta-subunit of human chorionic gonadotrophin (fb-hCG), Placental Growth Factor (PlGF) and A Desintegrin And Metalloproteinase 12 (ADAM12) for early onset preeclampsia (delivery <34 weeks) [1]. The objective of the current study was to obtain the predictive value of these serum makers, for both early onset PE (EOPE) and late onset PE (LOPE), combined with maternal characteristics and first-trimester maternal mean arterial blood pressure (MAP). This was a nested case-control study, using stored first-trimester maternal serum from 167 women who subsequently developed PE, and 500 uncomplicated singleton pregnancies which resulted in a live birth =>37 weeks. Maternal characteristics (i.e. medical records, parity, weight, length) MAP and pregnancy outcome (i.e. gestational age at delivery, birthweight, fetal sex) were collected for each individual and used to calculate prior risks for PE in a multiple logistic regression model. MAP values and marker levels of PAPP-A, fb-hCG, PlGF and ADAM12 were expressed as multiples of the gestation-specific normal median (MoMs). Subsequently, MoMs were log-transformed and compared between PE and controls using Student's t-tests. Posterior risks were calculated using different combinations of variables;(1) maternal characteristics, serum markers, and MAP separately (2) maternal characteristics combined with serum markers or MAP (3) maternal characteristics combined with serum markers and MAP. The model-predicted detection rates (DR) for fixed 10% false-positive rates were obtained for EOPE and LOPE with or without intra-uterine growth restriction (IUGR,birth weight <10th centile). The maternal characteristics: maternal age, weight, length, smoking status and nulliparity were discriminative between PE and control groups and therefore incorporated in the multiple logistic regression model. MoM MAP was significantly elevated (1.10 p<0.001; 1.07 p<0.001) and MoM PlGF was significantly reduced (0.95 p=0.016; 0.90 p=0.029) in the EOPE and LOPE group, respectively. The differences in markers for IUGR groups were larger. The estimated DRs of the three different models are presented in the table. This study demonstrates that first-trimester MAP and PlGF combined with maternal characteristics are promising markers in risk assessment for PE. Combination of markers proved especially useful for risk assessment for term PE. Detection rates were higher in the presence of IUGR. Copyright © 2012. Published by Elsevier B.V.

Probability of detecting atrazine/desethyl-atrazine and elevated concentrations of nitrate plus nitrate as nitrogen in ground water in the Idaho part of the western Snake River Plain

USGS Publications Warehouse

Donato, Mary M.

2000-01-01

As ground water continues to provide an ever-growing proportion of Idaho?s drinking water, concerns about the quality of that resource are increasing. Pesticides (most commonly, atrazine/desethyl-atrazine, hereafter referred to as atrazine) and nitrite plus nitrate as nitrogen (hereafter referred to as nitrate) have been detected in many aquifers in the State. To provide a sound hydrogeologic basis for atrazine and nitrate management in southern Idaho—the largest region of land and water use in the State—the U.S. Geological Survey produced maps showing the probability of detecting these contaminants in ground water in the upper Snake River Basin (published in a 1998 report) and the western Snake River Plain (published in this report). The atrazine probability map for the western Snake River Plain was constructed by overlaying ground-water quality data with hydrogeologic and anthropogenic data in a geographic information system (GIS). A data set was produced in which each well had corresponding information on land use, geology, precipitation, soil characteristics, regional depth to ground water, well depth, water level, and atrazine use. These data were analyzed by logistic regression using a statistical software package. Several preliminary multivariate models were developed and those that best predicted the detection of atrazine were selected. The multivariate models then were entered into a GIS and the probability maps were produced. Land use, precipitation, soil hydrologic group, and well depth were significantly correlated with atrazine detections in the western Snake River Plain. These variables also were important in the 1998 probability study of the upper Snake River Basin. The effectiveness of the probability models for atrazine might be improved if more detailed data were available for atrazine application. A preliminary atrazine probability map for the entire Snake River Plain in Idaho, based on a data set representing that region, also was produced. In areas where this map overlaps the 1998 map of the upper Snake River Basin, the two maps show broadly similar probabilities of detecting atrazine. Logistic regression also was used to develop a preliminary statistical model that predicts the probability of detecting elevated nitrate in the western Snake River Plain. A nitrate probability map was produced from this model. Results showed that elevated nitrate concentrations were correlated with land use, soil organic content, well depth, and water level. Detailed information on nitrate input, specifically fertilizer application, might have improved the effectiveness of this model.

Compound Poisson Law for Hitting Times to Periodic Orbits in Two-Dimensional Hyperbolic Systems

NASA Astrophysics Data System (ADS)

Carney, Meagan; Nicol, Matthew; Zhang, Hong-Kun

2017-11-01

We show that a compound Poisson distribution holds for scaled exceedances of observables φ uniquely maximized at a periodic point ζ in a variety of two-dimensional hyperbolic dynamical systems with singularities (M,T,μ ), including the billiard maps of Sinai dispersing billiards in both the finite and infinite horizon case. The observable we consider is of form φ (z)=-ln d(z,ζ ) where d is a metric defined in terms of the stable and unstable foliation. The compound Poisson process we obtain is a Pólya-Aeppli distibution of index θ . We calculate θ in terms of the derivative of the map T. Furthermore if we define M_n=\\max {φ ,\\ldots ,φ circ T^n} and u_n (τ ) by \\lim _{n→ ∞} nμ (φ >u_n (τ ) )=τ the maximal process satisfies an extreme value law of form μ (M_n ≤ u_n)=e^{-θ τ }. These results generalize to a broader class of functions maximized at ζ , though the formulas regarding the parameters in the distribution need to be modified.

Improving the interoperability of biomedical ontologies with compound alignments.

PubMed

Oliveira, Daniela; Pesquita, Catia

2018-01-09

Ontologies are commonly used to annotate and help process life sciences data. Although their original goal is to facilitate integration and interoperability among heterogeneous data sources, when these sources are annotated with distinct ontologies, bridging this gap can be challenging. In the last decade, ontology matching systems have been evolving and are now capable of producing high-quality mappings for life sciences ontologies, usually limited to the equivalence between two ontologies. However, life sciences research is becoming increasingly transdisciplinary and integrative, fostering the need to develop matching strategies that are able to handle multiple ontologies and more complex relations between their concepts. We have developed ontology matching algorithms that are able to find compound mappings between multiple biomedical ontologies, in the form of ternary mappings, finding for instance that "aortic valve stenosis"(HP:0001650) is equivalent to the intersection between "aortic valve"(FMA:7236) and "constricted" (PATO:0001847). The algorithms take advantage of search space filtering based on partial mappings between ontology pairs, to be able to handle the increased computational demands. The evaluation of the algorithms has shown that they are able to produce meaningful results, with precision in the range of 60-92% for new mappings. The algorithms were also applied to the potential extension of logical definitions of the OBO and the matching of several plant-related ontologies. This work is a first step towards finding more complex relations between multiple ontologies. The evaluation shows that the results produced are significant and that the algorithms could satisfy specific integration needs.

Development of a New De Novo Design Algorithm for Exploring Chemical Space.

PubMed

Mishima, Kazuaki; Kaneko, Hiromasa; Funatsu, Kimito

2014-12-01

In the first stage of development of new drugs, various lead compounds with high activity are required. To design such compounds, we focus on chemical space defined by structural descriptors. New compounds close to areas where highly active compounds exist will show the same degree of activity. We have developed a new de novo design system to search a target area in chemical space. First, highly active compounds are manually selected as initial seeds. Then, the seeds are entered into our system, and structures slightly different from the seeds are generated and pooled. Next, seeds are selected from the new structure pool based on the distance from target coordinates on the map. To test the algorithm, we used two datasets of ligand binding affinity and showed that the proposed generator could produce diverse virtual compounds that had high activity in docking simulations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Differences in Clinical Features of Methamphetamine Users with Persistent Psychosis and Patients with Schizophrenia.

PubMed

Wang, Liang-Jen; Lin, Shih-Ku; Chen, Yi-Chih; Huang, Ming-Chyi; Chen, Tzu-Ting; Ree, Shao-Chun; Chen, Chih-Ken

Methamphetamine exerts neurotoxic effects and elicits psychotic symptoms. This study attempted to compare clinical differences between methamphetamine users with persistent psychosis (MAP) and patients with schizophrenia. In addition, we examined the discrimination validity by using symptom clusters to differentiate between MAP and schizophrenia. We enrolled 53 MAP patients and 53 patients with schizophrenia. The psychopathology of participants was assessed using the Chinese version of the Diagnostic Interview for Genetic Studies and the 18-item Brief Psychiatric Rating Scale. Logistic regression was used to examine the predicted probability scores of different symptom combinations on discriminating between MAP and schizophrenia. The receiver operating characteristic (ROC) analyses and area under the curve (AUC) were further applied to examine the discrimination validity of the predicted probability scores on differentiating between MAP and schizophrenia. We found that MAP and schizophrenia demonstrated similar patterns of delusions. Compared to patients with schizophrenia, MAP experienced significantly higher proportions of visual hallucinations and of somatic or tactile hallucinations. However, MAP exhibited significantly lower severity in conceptual disorganization, mannerism/posturing, blunted affect, emotional withdrawal, and motor retardation compared to patients with schizophrenia. The ROC analysis showed that a predicted probability score combining the aforementioned 7 items of symptoms could significantly differentiate between MAP and schizophrenia (AUC = 0.77). Findings in the current study suggest that nuanced differences might exist in the clinical presentation of secondary psychosis (MAP) and primary psychosis (schizophrenia). Combining the symptoms as a whole may help with differential diagnosis for MAP and schizophrenia. © 2016 S. Karger AG, Basel.

Comparison and Enumeration of Chemical Graphs

PubMed Central

Akutsu, Tatsuya; Nagamochi, Hiroshi

2013-01-01

Chemical compounds are usually represented as graph structured data in computers. In this review article, we overview several graph classes relevant to chemical compounds and the computational complexities of several fundamental problems for these graph classes. In particular, we consider the following problems: determining whether two chemical graphs are identical, determining whether one input chemical graph is a part of the other input chemical graph, finding a maximum common part of two input graphs, finding a reaction atom mapping, enumerating possible chemical graphs, and enumerating stereoisomers. We also discuss the relationship between the fifth problem and kernel functions for chemical compounds. PMID:24688697

Compositional maps of Saturn's moon Phoebe from imaging spectroscopy

USGS Publications Warehouse

Clark, R.N.; Brown, R.H.; Jaumann, R.; Cruikshank, D.P.; Nelson, R.M.; Buratti, B.J.; McCord, T.B.; Lunine, J.; Baines, K.H.; Bellucci, G.; Bibring, J.-P.; Capaccioni, F.; Cerroni, P.; Coradini, A.; Formisano, V.; Langevin, Y.; Matson, D.L.; Mennella, V.; Nicholson, P.D.; Sicardy, B.; Sotin, Christophe; Hoefen, T.M.; Curchin, J.M.; Hansen, G.; Hibbits, K.; Matz, K.-D.

2005-01-01

The origin of Phoebe, which is the outermost large satellite of Saturn, is of particular interest because its inclined, retrograde orbit suggests that it was gravitationally captured by Saturn, having accreted outside the region of the solar nebula in which Saturn formed. By contrast, Saturn's regular satellites (with prograde, low-inclination, circular orbits) probably accreted within the sub-nebula in which Saturn itself formed. Here we report imaging spectroscopy of Phoebe resulting from the Cassini-Huygens spacecraft encounter on 11 June 2004. We mapped ferrous-iron-bearing minerals, bound water, trapped CO2, probable phyllosilicates, organics, nitriles and cyanide compounds. Detection of these compounds on Phoebe makes it one of the most compositionally diverse objects yet observed in our Solar System. It is likely that Phoebe's surface contains primitive materials from the outer Solar System, indicating a surface of cometary origin.

Gene expression pattern recognition algorithm inferences to classify samples exposed to chemical agents

NASA Astrophysics Data System (ADS)

Bushel, Pierre R.; Bennett, Lee; Hamadeh, Hisham; Green, James; Ableson, Alan; Misener, Steve; Paules, Richard; Afshari, Cynthia

2002-06-01

We present an analysis of pattern recognition procedures used to predict the classes of samples exposed to pharmacologic agents by comparing gene expression patterns from samples treated with two classes of compounds. Rat liver mRNA samples following exposure for 24 hours with phenobarbital or peroxisome proliferators were analyzed using a 1700 rat cDNA microarray platform. Sets of genes that were consistently differentially expressed in the rat liver samples following treatment were stored in the MicroArray Project System (MAPS) database. MAPS identified 238 genes in common that possessed a low probability (P < 0.01) of being randomly detected as differentially expressed at the 95% confidence level. Hierarchical cluster analysis on the 238 genes clustered specific gene expression profiles that separated samples based on exposure to a particular class of compound.

Nano-scale Stripe Structures on FeTe Observed by Low-temperature STM/STS

NASA Astrophysics Data System (ADS)

Sugimoto, A.; Ukita, R.; Ekino, T.

We have investigated the nano-scale stripe structures on a parent compound of the iron chalcogenide superconductor Fe1+dTe (d=0.033) by using low-temperature scanning tunneling microscopy (STM). The STM topographies and the dI/dV maps show clear stripe structures with the period of twice as large as the Te-Te atomic displacement (~0.76 nm = 2a0, a0 is lattice constant), in addition to weak modulation with the same period of lattice constant (~0.38 nm). The bias-voltage dependence of both STM topographies and dI/dV maps show the several kinds of the stripe structures. The 2a0 modulations are similar to the bicollinear spin order of the parent compound FeTe, indicating the possibility of the coupling with spin density wave and electronic structures.

Imaging Performance of Quantitative Transmission Ultrasound

PubMed Central

Lenox, Mark W.; Wiskin, James; Lewis, Matthew A.; Darrouzet, Stephen; Borup, David; Hsieh, Scott

2015-01-01

Quantitative Transmission Ultrasound (QTUS) is a tomographic transmission ultrasound modality that is capable of generating 3D speed-of-sound maps of objects in the field of view. It performs this measurement by propagating a plane wave through the medium from a transmitter on one side of a water tank to a high resolution receiver on the opposite side. This information is then used via inverse scattering to compute a speed map. In addition, the presence of reflection transducers allows the creation of a high resolution, spatially compounded reflection map that is natively coregistered to the speed map. A prototype QTUS system was evaluated for measurement and geometric accuracy as well as for the ability to correctly determine speed of sound. PMID:26604918

Dynamics of a minimal consumer network with bi-directional influence

NASA Astrophysics Data System (ADS)

Ekaterinchuk, Ekaterina; Jungeilges, Jochen; Ryazanova, Tatyana; Sushko, Iryna

2018-05-01

We study the dynamics of a model of interdependent consumer behavior defined by a family of two-dimensional noninvertible maps. This family belongs to a class of coupled logistic maps with different nonlinearity parameters and coupling terms that depend on one variable only. In our companion paper we considered the case of independent consumers as well as the case of uni-directionally connected consumers. The present paper aims at describing the dynamics in the case of a bi-directional connection. In particular, we investigate the bifurcation structure of the parameter plane associated with the strength of coupling between the consumers, focusing on the mechanisms of qualitative transformations of coexisting attractors and their basins of attraction.

Allocating Fire Mitigation Funds on the Basis of the Predicted Probabilities of Forest Wildfire

Treesearch

Ronald E. McRoberts; Greg C. Liknes; Mark D. Nelson; Krista M. Gebert; R. James Barbour; Susan L. Odell; Steven C. Yaddof

2005-01-01

A logistic regression model was used with map-based information to predict the probability of forest fire for forested areas of the United States. Model parameters were estimated using a digital layer depicting the locations of wildfires and satellite imagery depicting thermal hotspots. The area of the United States in the upper 50th percentile with respect to...

Connecting Our Nation’s Crisis Information Management Systems

DTIC Science & Technology

2008-12-01

Voice Alert is a communications solution that uses a combination of database and GIS mapping technologies to deliver outbound notifications.85 EOC...needing to be accessed through an extension is necessary. With many businesses, hotels , and other locations requiring an extension to reach...built around five major management activities of an incident.130  Command  Operations  Planning  Logistics  Finance/administration. The new

Proline-Based Carbamates as Cholinesterase Inhibitors.

PubMed

Pizova, Hana; Havelkova, Marketa; Stepankova, Sarka; Bak, Andrzej; Kauerova, Tereza; Kozik, Violetta; Oravec, Michal; Imramovsky, Ales; Kollar, Peter; Bobal, Pavel; Jampilek, Josef

2017-11-14

Series of twenty-five benzyl (2S)-2-(arylcarbamoyl)pyrrolidine-1-carboxylates was prepared and completely characterized. All the compounds were tested for their in vitro ability to inhibit acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), and the selectivity of compounds to individual cholinesterases was determined. Screening of the cytotoxicity of all the compounds was performed using a human monocytic leukaemia THP-1 cell line, and the compounds demonstrated insignificant toxicity. All the compounds showed rather moderate inhibitory effect against AChE; benzyl (2 S )-2-[(2-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate (IC 50 = 46.35 μM) was the most potent agent. On the other hand, benzyl (2 S )-2-[(4-bromophenyl)-] and benzyl (2 S )-2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylates expressed anti-BChE activity (IC 50 = 28.21 and 27.38 μM, respectively) comparable with that of rivastigmine. The ortho -brominated compound as well as benzyl (2 S )-2-[(2-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate demonstrated greater selectivity to BChE. The in silico characterization of the structure-inhibitory potency for the set of proline-based carbamates considering electronic, steric and lipophilic properties was provided using comparative molecular surface analysis (CoMSA) and principal component analysis (PCA). Moreover, the systematic space inspection with splitting data into the training/test subset was performed to monitor the statistical estimators performance in the effort to map the probability-guided pharmacophore pattern. The comprehensive screening of the AChE/BChE profile revealed potentially relevant structural and physicochemical features that might be essential for mapping of the carbamates inhibition efficiency indicating qualitative variations exerted on the reaction site by the substituent in the 3'-/4'-position of the phenyl ring. In addition, the investigation was completed by a molecular docking study of recombinant human AChE.

Characterising invasive non-native Rhododendron ponticum spectra signatures with spectroradiometry in the laboratory and field: Potential for remote mapping

NASA Astrophysics Data System (ADS)

Taylor, Sarah L.; Hill, Ross A.; Edwards, Colin

2013-07-01

Compared with traditional ground surveys, remote sensing has the potential to map the spatial extent of non-native invasive species rapidly and reliably. This paper assesses the potential of spectroradiometry to distinguish and characterise the status of invasive non-native rhododendron (Rhododendron ponticum). Absolute reflectance of target plant material was measured with an ASD Fieldspec Pro System under standardised laboratory conditions and in the field to characterise spectral signatures in the winter, during leaf-off conditions for woodland overstory, and in the summer when mature rhododendrons are flowering. A logistic regression model of absolute reflectance at key wavelengths (490, 550, 610, 1040 and 1490 nm) was used to determine the success of discriminating rhododendron from three other shrubby species likely to be encountered in woodlands during the winter. The logistic regression model was highly significant (p < 0.001), with 93.5% of 246 leaf sets correctly identified as rhododendron or non-rhododendron (i.e. cherry laurel (Prunus laurocerasus), holly (Ilex aquifolium), and beech (Fagus sylvatica)). Rescaling the data to emulate the spectral resolution of airborne and satellite acquired data decreased the total success rate of correctly identifying rhododendron by only 0.4%; although this error rate will likely increase for airborne or satellite data as a result of atmospheric attenuation and reduced spatial resolution. This demonstrates the potential to map bush presence using hyperspectral data and indicates the optimum spectral wavelengths required. Such information is critical to the development of successful strategic management plans to eradicate rhododendron (and the associated Phytophthora ramorum pathogen) effectively from a site.

Mapping Shallow Landslide Slope Inestability at Large Scales Using Remote Sensing and GIS

NASA Astrophysics Data System (ADS)

Avalon Cullen, C.; Kashuk, S.; Temimi, M.; Suhili, R.; Khanbilvardi, R.

2015-12-01

Rainfall induced landslides are one of the most frequent hazards on slanted terrains. They lead to great economic losses and fatalities worldwide. Most factors inducing shallow landslides are local and can only be mapped with high levels of uncertainty at larger scales. This work presents an attempt to determine slope instability at large scales. Buffer and threshold techniques are used to downscale areas and minimize uncertainties. Four static parameters (slope angle, soil type, land cover and elevation) for 261 shallow rainfall-induced landslides in the continental United States are examined. ASTER GDEM is used as bases for topographical characterization of slope and buffer analysis. Slope angle threshold assessment at the 50, 75, 95, 98, and 99 percentiles is tested locally. Further analysis of each threshold in relation to other parameters is investigated in a logistic regression environment for the continental U.S. It is determined that lower than 95-percentile thresholds under-estimate slope angles. Best regression fit can be achieved when utilizing the 99-threshold slope angle. This model predicts the highest number of cases correctly at 87.0% accuracy. A one-unit rise in the 99-threshold range increases landslide likelihood by 11.8%. The logistic regression model is carried over to ArcGIS where all variables are processed based on their corresponding coefficients. A regional slope instability map for the continental United States is created and analyzed against the available landslide records and their spatial distributions. It is expected that future inclusion of dynamic parameters like precipitation and other proxies like soil moisture into the model will further improve accuracy.

Bed texture mapping in large rivers using recreational-grade sidescan sonar

USGS Publications Warehouse

Hamill, Daniel; Wheaton, Joseph M.; Buscombe, Daniel D.; Grams, Paul E.; Melis, Theodore S.

2017-01-01

The size-distribution and spatial organization of bed sediment, or bed ‘texture’, is a fundamental attribute of natural channels and is one important component of the physical habitat of aquatic ecosystems. ‘Recreational-grade’ sidescan sonar systems now offer the possibility of imaging, and subsequently quantifying bed texture at high resolution with minimal cost, or logistical effort. We are investigating the possibility of using sidescan sonar sensors on commercially available ‘fishfinders’ for within-channel bed-sediment characterization of mixed sand-gravel riverbeds in a debris-fan dominated canyon river. We analyzed repeat substrate mapping of data collected before and after the November 2014 High Flow Experiment on the Colorado River in lower Marble Canyon, Arizona. The mapping analysis resulted in sufficient spatial coverage (e.g. reach) and resolutions (e.g. centrimetric) to inform studies of the effects of changing bed substrates on salmonid spawning on large rivers. From this preliminary study, we argue that the approach could become a tractable and cost-effective tool for aquatic scientists to rapidly obtain bed texture maps without specialized knowledge of hydroacoustics. Bed texture maps can be used as a physical input for models relating ecosystem responses to hydrologic management.

Mapping tree and impervious cover using Ikonos imagery: links with water quality and stream health

NASA Astrophysics Data System (ADS)

Wright, R.; Goetz, S. J.; Smith, A.; Zinecker, E.

2002-12-01

Precision georeferened Ikonos satellite imagery was used to map tree cover and impervious surface area in Montgomery county Maryland. The derived maps were used to assess riparian zone stream buffer tree cover and to predict, with multivariate logistic regression, stream health ratings across 246 small watersheds averaging 472 km2 in size. Stream health was assessed by state and county experts using a combination of physical measurements (e.g., dissolved oxygen) and biological indicators (e.g., benthic macroinvertebrates). We found it possible to create highly accurate (90+ per cent) maps of tree and impervious cover using decision tree classifiers, provided extensive field data were available for algorithm training. Impervious surface area was found to be the primary predictor of stream health, followed by tree cover in riparian buffers, and total tree cover within entire watersheds. A number of issues associated with mapping using Ikonos imagery were encountered, including differences in phenological and atmospheric conditions, shadowing within canopies and between scene elements, and limited spectral discrimination of cover types. We report on both the capabilities and limitations of Ikonos imagery for these applications, and considerations for extending these analyses to other areas.

Malaria Early Warning: The MalarSat project

NASA Astrophysics Data System (ADS)

Roca, M.; Escorihuela, M. J.; Martínez, D.; Torrent, M.; Aponte, J.; Nunez, F.; Garcia, J.

2009-04-01

Malaria is one of the major public health challenges undermining development in the world. The aim of MalarSat Project is to provide a malaria risks infection maps at global scale using Earth Observation data to support and prevent epidemic episodes. The proposed service for creating malaria risk maps would be critically useful to improve the efficiency in insecticide programs, vaccine campaigns and the logistics epidemic treatment. Different teams have already carried out studies in order to exploit the use of Earth Observation (EO) data with epidemiology purposes. In the case of malaria risk maps, it has been shown that meteorological data is not sufficient to fulfill this objective. In particular being able to map the malaria mosquito habitat would increase the accuracy of risk maps. The malaria mosquitoes mainly reproduce in new water puddles of very reduced dimensions (about 1 meter wide). There is no instrument that could detect such small patches of water unless there are many of them spread in an area of several hundreds of meters. MalarSat aims at using the radar altimeter data from the EnviSat, RA-2, to try and build indicators of mosquitoes existence. This presentation will show the scientific objectives and principles of the MalarSat project.

(Study of the behavioral and biological effects of high intensity 60 Hz electric fields): Quarterly technical progress report No. 29

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

Orr, J.L.

1989-07-14

Activities this quarter involved all phases of the project plus a meeting of the Joint Committee in Tokyo. Detailed mapping of the exposure facility is scheduled to be completed during the week of August 14, 1989. Both electric and magnetic fields should be available for tests of the components of the tether and blood sampling system for the neuroendocrine pilot study in September 1989. The groups for the social behavior study are stabilizing appropriately. Details on the formation of the groups and their status has been provided. Dr. Coelho has included information related to aspects of the social experiment rangingmore » from age estimation in baboons through the cardiovascular consequences of psychosocial stress. In addition, a draft manuscript is included on the data from the previous experiments which describes the effects of 30 and 60 kV/m electric fields on the social behavior of baboons. Tests of the blood handling procedures and analysis methods have been completed. With the exception of the catecholamine analyses, the handling procedures and variability in replicate measurements are satisfactory. Logistic and practical considerations now weigh strongly against including the analysis of the blood samples for catecholamines. Preliminary tests indicate that a sampling procedure which will work for the other compounds is probably not satisfactory for the catecholamines.« less

Logistic Regression for Seismically Induced Landslide Predictions: Using Uniform Hazard and Geophysical Layers as Predictor Variables

NASA Astrophysics Data System (ADS)

Nowicki, M. A.; Hearne, M.; Thompson, E.; Wald, D. J.

2012-12-01

Seismically induced landslides present a costly and often fatal threats in many mountainous regions. Substantial effort has been invested to understand where seismically induced landslides may occur in the future. Both slope-stability methods and, more recently, statistical approaches to the problem are described throughout the literature. Though some regional efforts have succeeded, no uniformly agreed-upon method is available for predicting the likelihood and spatial extent of seismically induced landslides. For use in the U. S. Geological Survey (USGS) Prompt Assessment of Global Earthquakes for Response (PAGER) system, we would like to routinely make such estimates, in near-real time, around the globe. Here we use the recently produced USGS ShakeMap Atlas of historic earthquakes to develop an empirical landslide probability model. We focus on recent events, yet include any digitally-mapped landslide inventories for which well-constrained ShakeMaps are also available. We combine these uniform estimates of the input shaking (e.g., peak acceleration and velocity) with broadly available susceptibility proxies, such as topographic slope and surface geology. The resulting database is used to build a predictive model of the probability of landslide occurrence with logistic regression. The landslide database includes observations from the Northridge, California (1994); Wenchuan, China (2008); ChiChi, Taiwan (1999); and Chuetsu, Japan (2004) earthquakes; we also provide ShakeMaps for moderate-sized events without landslide for proper model testing and training. The performance of the regression model is assessed with both statistical goodness-of-fit metrics and a qualitative review of whether or not the model is able to capture the spatial extent of landslides for each event. Part of our goal is to determine which variables can be employed based on globally-available data or proxies, and whether or not modeling results from one region are transferrable to geomorphologically-similar regions that lack proper calibration events. Combined with near-real time ShakeMaps, we anticipate using our model to make generalized predictions of whether or not (and if so, where) landslides are likely to occur for earthquakes around the globe; we also intend to incorporate this functionality into the USGS PAGER system.

Probability of detecting atrazine/desethyl-atrazine and elevated concentrations of nitrate in ground water in Colorado

USGS Publications Warehouse

Rupert, Michael G.

2003-01-01

Draft Federal regulations may require that each State develop a State Pesticide Management Plan for the herbicides atrazine, alachlor, metolachlor, and simazine. Maps were developed that the State of Colorado could use to predict the probability of detecting atrazine and desethyl-atrazine (a breakdown product of atrazine) in ground water in Colorado. These maps can be incorporated into the State Pesticide Management Plan and can help provide a sound hydrogeologic basis for atrazine management in Colorado. Maps showing the probability of detecting elevated nitrite plus nitrate as nitrogen (nitrate) concentrations in ground water in Colorado also were developed because nitrate is a contaminant of concern in many areas of Colorado. Maps showing the probability of detecting atrazine and(or) desethyl-atrazine (atrazine/DEA) at or greater than concentrations of 0.1 microgram per liter and nitrate concentrations in ground water greater than 5 milligrams per liter were developed as follows: (1) Ground-water quality data were overlaid with anthropogenic and hydrogeologic data using a geographic information system to produce a data set in which each well had corresponding data on atrazine use, fertilizer use, geology, hydrogeomorphic regions, land cover, precipitation, soils, and well construction. These data then were downloaded to a statistical software package for analysis by logistic regression. (2) Relations were observed between ground-water quality and the percentage of land-cover categories within circular regions (buffers) around wells. Several buffer sizes were evaluated; the buffer size that provided the strongest relation was selected for use in the logistic regression models. (3) Relations between concentrations of atrazine/DEA and nitrate in ground water and atrazine use, fertilizer use, geology, hydrogeomorphic regions, land cover, precipitation, soils, and well-construction data were evaluated, and several preliminary multivariate models with various combinations of independent variables were constructed. (4) The multivariate models that best predicted the presence of atrazine/DEA and elevated concentrations of nitrate in ground water were selected. (5) The accuracy of the multivariate models was confirmed by validating the models with an independent set of ground-water quality data. (6) The multivariate models were entered into a geographic information system and the probability maps were constructed.

Presence and distribution of chlorinated organic compounds in streambed sediments, new jersey

USGS Publications Warehouse

Stackelberg, P.E.

1997-01-01

Concentrations of 18 hydrophobic chlorinated organic compounds in streambed sediments from 100 sites throughout New Jersey were examined to determine (1) which compounds were detected most frequently, (2) whether detection frequencies differed among selected drainage basins, and (3) whether concentrations differed significantly among selected drainage basins. Twelve drainage basins across New Jersey that contain a range of land-use patterns and population densities were selected to represent various types and degrees of development. To ensure an adequate number of samples for statistical comparison among drainage basins, the 12 selected basins were consolidated into seven drainage areas on the basis of similarities in land- use patterns and population densities. Additionally, data for three classes of chlorinated organic compounds in streambed sediments from 255 sites throughout New Jersey were examined to determine whether the presence of these compounds in streambed sediments is related to the type and degree of development within the drainage area of each sampling site. Chlorinated organic compounds detected most frequently within the seven representative drainage areas were DDT, DDE, DDD, chlordane, dieldrin, and PCBs. DDT, DDE, and DDD, which were the most widely distributed organic compounds, were detected in about 60 to 100 percent of the samples from all drainage areas hut one (where the detection rate for these compounds was about 20 to 40 percent). Chlordane and dieldrin were detected in about 80 to 100 percent of samples from highly urbanized and populated drainage areas; detection frequencies for these compounds tended to be smaller in less developed and populated areas. PCBs were detected in about 40 to 85 percent of samples from all drainage areas; detection frequencies were highest in the most heavily developed and populated areas. Analysis of variance on rank-transformed organic compound concentrations normalized to sediment organic carbon content was used to evaluate differences in concentrations among the seven representative drainage areas. Chlordane and PCBs were the chlorinated organic compounds with the most highly elevated concentrations in streambed sediments across the State. Median normalized COncentrations of all six of the most frequently detected chlorinated organic compounds were highest in the most heavily urbanized and populated drainage area and lowest in the less populated, predominantly agricultural or forested areas. Concentrations of DDT and DDE, however, did not differ significantly among most of the drainage areas. Concentrations of DDD, chlordane, dieldrin, and PCBs differed significantly among drainage areas. The highest median normalized concentrations were found in samples from the most heavily urbanized and populated areas, and the lowest were in samples from the least developed, most heavily forested area. Logistic regression was used to examine relations between the presence of hydrophobic chlorinated organic compounds in streambed sediments at specified concentrations and variables that characterize the type and degree of development within the drainage areas of 255 sites across New Jersey. The explanatory variables found most useful for predicting the presence of chlorinated organic compounds in streambed sediments include total population and amounts (in square kilometers) of various land-use categories. Logistic regression equations were developed to identify significant relations between population and amounts of specific land-use categories within drainage areas and the probability of detecting chlorinated organic contaminants in streambed sediments. These relations can be used to assist in the identification of geographic regions of primary concern for contamination of bed sediments by chlorinated organic compounds across the State.

The crystallographic, spectroscopic and theoretical studies on (E)-2-(((4-chlorophenyl)imino)methyl)-5-(diethylamino)phenol and (E)-2-(((3-chlorophenyl)imino)methyl)-5-(diethylamino)phenol molecules

NASA Astrophysics Data System (ADS)

Demirtaş, Güneş; Dege, Necmi; Ağar, Erbil; Uzun, Sümeyye Gümüş

2018-01-01

Two new salicylideneaniline (SA) derivative compounds (E)-2-(((4-chlorophenyl)imino)methyl)-5-(diethylamino)phenol, compound (I), and (E)-2-(((3-chlorophenyl)imino)methyl)-5-(diethylamino)phenol, compound (II), have been synthesized and characterized by single crystal X-ray diffraction, IR spectroscopy, 1H NMR, 13C NMR and theoretical methods. Both of the compounds which are Schiff base derivatives are isomer of each other. While the compound (I) crystallizes in centrosymmetric monoclinic space group P 21/c, the compound (II) crystallizes in orthorhombic space group P 212121. The theoretical parameters of the molecules have been calculated by using Hartree-Fock (HF) and density functional theory (DFT/B3LYP) with 6-31G (d,p) basis set. These theoretical parameters have been compared with the experimental parameters obtained by XRD. The experimental geometries of the compounds have been superimposed with the theoretical geometries calculated by HF and DFT methods. Furthermore, the theoretical IR calculations, molecular electrostatic potential maps (MEP) and frontier molecular orbitals have been created for the compounds.

Bedside risk estimation of morbidly adherent placenta using simple calculator.

PubMed

Maymon, R; Melcer, Y; Pekar-Zlotin, M; Shaked, O; Cuckle, H; Tovbin, J

2018-03-01

To construct a calculator for 'bedside' estimation of morbidly adherent placenta (MAP) risk based on ultrasound (US) findings. This retrospective study included all pregnant women with at least one previous cesarean delivery attending in our US unit between December 2013 and January 2017. The examination was based on a scoring system which determines the probability for MAP. The study population included 471 pregnant women, and 41 of whom (8.7%) were diagnosed with MAP. Based on ROC curve, the most effective US criteria for detection of MAP were the presence of the placental lacunae, obliteration of the utero-placental demarcation, and placenta previa. On the multivariate logistic regression analysis, US findings of placental lacunae (OR = 3.5; 95% CI, 1.2-9.5; P = 0.01), obliteration of the utero-placental demarcation (OR = 12.4; 95% CI, 3.7-41.6; P < 0.0001), and placenta previa (OR = 10.5; 95% CI, 3.5-31.3; P < 0.0001) were associated with MAP. By combining these three parameters, the receiver operating characteristic curve was calculated, yielding an area under the curve of 0.93 (95% CI, 0.87-0.97). Accordingly, we have constructed a simple calculator for 'bedside' estimation of MAP risk. The calculator is mounted on the hospital's internet website ( http://www.assafh.org/Pages/PPCalc/index.html ). The risk estimation of MAP varies between 1.5 and 87%. The present calculator enables a simple 'bedside' MAP estimation, facilitating accurate and adequate antenatal risk assessment.

ATR-FTIR microscopy in mapping mode for the study of verdigris and its secondary products

NASA Astrophysics Data System (ADS)

Prati, S.; Bonacini, I.; Sciutto, G.; Genty-Vincent, A.; Cotte, M.; Eveno, M.; Menu, M.; Mazzeo, R.

2016-01-01

To study degradation processes occurring on painting materials, the use of high-resolution micro-analytical techniques is highly requested since it provides a detailed identification and localisation of both the original and deteriorated ingredients. Among the various pigments recently studied, the characterisation of verdigris has received a major interest. This pigment has not a unique chemical formula, but its composition depends on the recipe employed for its manufacturing. Moreover, verdigris paints are not stable and are subject to a colour change from blue-green to green, which occurs in the first few months after the application. In this paper, we focused our attention on the use of ATR-FTIR mapping as a useful method to identify verdigris secondary products and pathways. Several mock-ups and real samples have been analysed, and the correlation among the detected compounds and their spatial location, obtained by the application of ATR-FTIR microscopy in mapping mode, allowed formulating some hypotheses on the degradation pattern of verdigris, which may feed the discussion on the transformation and stability of this pigment. From an analytical point of view, we showed how FTIR mapping approaches may be extremely useful both for the identification of compounds in complex matrix in which single spectra may limit the exhaustive characterisations due to bands overlapping and for the study of degradation pathways by taking into consideration the relative distribution of degradation products.

Effect of modified atmosphere packaging and temperature abuse on flavor related volatile compounds of rocket leaves (Diplotaxis tenuifolia L.).

PubMed

Mastrandrea, Leonarda; Amodio, Maria Luisa; Pati, Sandra; Colelli, Giancarlo

2017-07-01

The effect of storage conditions on flavor-related volatile composition of wild rocket ( Diplotaxis tenuifolia ) was investigated on Modified Atmosphere packed (MAP) leaves stored under isothermal and non-isothermal conditions. In a first experiment the effect of MAP was compared to the storage in air at 5 °C; a second experiment aimed to study the effect of non isothermal conditions, with two temperature abuses (at 13 °C for 24 h) during a 5 °C. Twenty-four volatiles were detected, including C6, C5, isothiocyanate, lipid-derived and sulfur compounds. In the first experiment, MAP-stored rocket showed a slower loss of typical flavour volatiles (thiocyanates and isothiocyanates) and a slower production of off-flavors until 6 days of storage, compared to leaves stored in air. After this time, dimethyl sulfide and acetaldehyde dramatically increased in MAP-stored rocket samples. In the second experiment, samples stored under non-isothermal conditions showed lower O 2 and higher CO 2 concentrations than samples stored under isothermal conditions. Rocket leaves stored under non-isothermal conditions showed an increased production of volatiles responsible of off-flavors (acetaldehyde and dimethyl sulfide) following temperature abuse comparing to storage in isothermal condition. Thus, dimethyl sulfide and acetaldehyde could be effective markers for tracking the effect of temperature fluctuations on rocket during storage.

A phenotypic screening approach to identify anticancer compounds derived from marine fungi.

PubMed

Ellinger, Bernhard; Silber, Johanna; Prashar, Anjali; Landskron, Johannes; Weber, Jonas; Rehermann, Sarah; Müller, Franz-Josef; Smith, Stephen; Wrigley, Stephen; Taskén, Kjetil; Gribbon, Philip; Labes, Antje; Imhoff, Johannes F

2014-04-01

This study covers the isolation, testing, and identification of natural products with anticancer properties. Secondary metabolites were isolated from fungal strains originating from a variety of marine habitats. Strain culture protocols were optimized with respect to growth media composition and fermentation conditions. From these producers, isolated compounds were screened for their effect on the viability and proliferation of a subset of the NCI60 panel of cancer cell lines. Active compounds of interest were identified and selected for detailed assessments and structural elucidation using nuclear magnetic resonance. This revealed the majority of fungal-derived compounds represented known anticancer chemotypes, confirming the integrity of the process and the ability to identify suitable compounds. Examination of effects of selected compounds on cancer-associated cell signaling pathways used phospho flow cytometry in combination with 3D fluorescent cell barcoding. In parallel, the study addressed the logistical aspects of maintaining multiple cancer cell lines in culture simultaneously. A potential solution involving microbead-based cell culture was investigated (BioLevitator, Hamilton). Selected cell lines were cultured in microbead and 2D methods and cell viability tests showed comparable compound inhibition in both methods (R2=0.95). In a further technology assessment, an image-based assay system was investigated for its utility as a possible complement to ATP-based detection for quantifying cell growth and viability in a label-free manner.

Application of Geographic Information System (GIS) in Drug Logistics Management Information System (LMIS) at District Level in Malawi: Opportunities and Challenges

NASA Astrophysics Data System (ADS)

Chikumba, Patrick Albert

District pharmacies in Malawi use a computerised IS to monitor the flow of products from a warehouse to health service delivery points and determine understocked or overstocked products at each health facility. Currently, all drug LMIS reports are in tabular forms. The GIS can help health and drug logistics officers to get additional spatial information, such as locations of health facilities and environmental factors, to the existing reports in the form of maps. This paper highlights some opportunities and challenges of applying the GIS in the drug LMIS, which basically involve technologies, organisation, and standards and data integration. It has been found that this idea is very good but it requires much effort, commitment and resources for successful implementation.

Mapping forest functional type in a forest-shrubland ecotone using SPOT imagery and predictive habitat distribution modelling

USGS Publications Warehouse

Assal, Timothy J.; Anderson, Patrick J.; Sibold, Jason

2015-01-01

The availability of land cover data at local scales is an important component in forest management and monitoring efforts. Regional land cover data seldom provide detailed information needed to support local management needs. Here we present a transferable framework to model forest cover by major plant functional type using aerial photos, multi-date Système Pour l’Observation de la Terre (SPOT) imagery, and topographic variables. We developed probability of occurrence models for deciduous broad-leaved forest and needle-leaved evergreen forest using logistic regression in the southern portion of the Wyoming Basin Ecoregion. The model outputs were combined into a synthesis map depicting deciduous and coniferous forest cover type. We evaluated the models and synthesis map using a field-validated, independent data source. Results showed strong relationships between forest cover and model variables, and the synthesis map was accurate with an overall correct classification rate of 0.87 and Cohen’s kappa value of 0.81. The results suggest our method adequately captures the functional type, size, and distribution pattern of forest cover in a spatially heterogeneous landscape.

Investigation of a new passive sampler for the detection of munitions compounds in marine and freshwater systems.

PubMed

Warren, Joseph K; Vlahos, Penny; Smith, Richard; Tobias, Craig

2018-07-01

Over the last century, unexploded ordnances have been disposed of in marine shelf systems because of a lack of cost-effective alternatives. Underwater unexploded ordnances have the potential to leak 2,4,6-trinitrotoluene (TNT) and 1,3,5-trinitro-1,3,5-triazine (RDX), commonly used chemical munitions, and contaminate local waters, biota, and sediments. The rate at which this contamination occurs in the environment is relatively unknown, and the cost- and time-prohibitive nature of sampling across sites makes mapping difficult. In the present study we assessed the efficacy of ethylene-vinyl acetate (EVA) for sampling relatively soluble munitions compounds over a range of environmental conditions (i.e., changes in temperature and salinity) and optimized the composition of the passive sampling polymer. The EVA sampler was able to successfully detect ambient concentrations of lingering munitions compounds from field sites containing unexploded ordnances. The sampler affinity for the munitions in terms of an EVA-water partition coefficient was greater than the standard octanol water values for each target compound. Partitioning of compounds onto EVA over the natural ranges of salinity did not change significantly, although uptake varied consistently and predictably with temperature. Increasing the vinyl acetate to ethylene ratio of the polymer corresponded to an increase in uptake capacity, consistent with enhanced dipole-dipole interactions between the munitions and the polymer. This sampler provides a cost-effective means to map and track leakage of unexploded ordnances both spatially and temporally. Environ Toxicol Chem 2018;37:1990-1997. © 2018 SETAC. © 2018 SETAC.

Inheritance analysis and mapping of quantitative trait loci (QTL) controlling individual anthocyanin compounds in purple barley (Hordeum vulgare L.) grains.

PubMed

Zhang, Xiao-Wei; Jiang, Qian-Tao; Wei, Yu-Ming; Liu, Chunji

2017-01-01

Anthocyanin-rich barley can have great potential in promoting human health and in developing nutraceuticals and functional foods. As different anthocyanin compounds have different antioxidant activities, breeding cultivars with pre-designed anthocyanin compositions could be highly desirable. Working toward this possibility, we assessed and reported for the first time the genetic control of individual anthocyanin compounds in barley. Of the ten anthocyanins assessed, two, peonidin-3-glucoside (P3G) and cyanidin-3-glucoside (C3G), were major components in the purple pericarp barley genotype RUSSIA68. Quantitative trait locus (QTL) mapping showed that both anthocyanin compounds were the interactive products of two loci, one located on chromosome arm 2HL and the other on 7HS. However, the two different anthocyanin components seem to be controlled by different interactions between the two loci. The effects of the 7HS locus on P3G and C3G were difficult to detect without removing the effect of the 2HL locus. At least one copy of the 2HL alleles from the purple pericarp parent was required for the synthesis of P3G. This does not seem to be the case for the production of C3G which was produced in each of all the different allele combinations between the two loci. Typical maternal effect was also observed in the inheritance of purple pericarp grains in barley. The varied values of different compounds, coupled with their different genetic controls, highlight the need for targeting individual anthocyanins in crop breeding and food processing.

Synthesis and biological evaluation of new 2-(4,5-dihydro-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine derivatives.

PubMed

Touzeau, Frédérique; Arrault, Axelle; Guillaumet, Gérald; Scalbert, Elizabeth; Pfeiffer, Bruno; Rettori, Marie-Claire; Renard, Pierre; Mérour, Jean-Yves

2003-05-08

2-(4,5-Dihydro-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine derivatives and tricyclic analogues with a fused additional ring on the nitrogen atom of the benzoxazine moiety have been prepared and evaluated for their cardiovascular effects as potential antihypertensive agents. The imidazoline ring was generated by reaction of the corresponding ethyl ester with ethylenediamine. Affinities for imidazoline binding sites (IBS) I(1) and I(2) and alpha(1) and alpha(2) adrenergic receptors were evaluated as well as the effects on mean arterial blood pressure (MAP) and heart rate (HR) of spontaneously hypertensive rats. With few exceptions the most active compounds on MAP were those with high affinities for IBS and alpha(2) receptor. Among these, compound 4h was the most interesting and is now, together with its enantiomers, under complementary pharmacological evaluation.

Investigation of miscellaneous hERG inhibition in large diverse compound collection using automated patch-clamp assay

PubMed Central

Yu, Hai-bo; Zou, Bei-yan; Wang, Xiao-liang; Li, Min

2016-01-01

Aim: hERG potassium channels display miscellaneous interactions with diverse chemical scaffolds. In this study we assessed the hERG inhibition in a large compound library of diverse chemical entities and provided data for better understanding of the mechanisms underlying promiscuity of hERG inhibition. Methods: Approximately 300 000 compounds contained in Molecular Library Small Molecular Repository (MLSMR) library were tested. Compound profiling was conducted on hERG-CHO cells using the automated patch-clamp platform–IonWorks Quattro™. Results: The compound library was tested at 1 and 10 μmol/L. IC50 values were predicted using a modified 4-parameter logistic model. Inhibitor hits were binned into three groups based on their potency: high (IC50<1 μmol/L), intermediate (1 μmol/L< IC50<10 μmol/L), and low (IC50>10 μmol/L) with hit rates of 1.64%, 9.17% and 16.63%, respectively. Six physiochemical properties of each compound were acquired and calculated using ACD software to evaluate the correlation between hERG inhibition and the properties: hERG inhibition was positively correlative to the physiochemical properties ALogP, molecular weight and RTB, and negatively correlative to TPSA. Conclusion: Based on a large diverse compound collection, this study provides experimental evidence to understand the promiscuity of hERG inhibition. This study further demonstrates that hERG liability compounds tend to be more hydrophobic, high-molecular, flexible and polarizable. PMID:26725739

3D-QSAR analysis of MCD inhibitors by CoMFA and CoMSIA.

PubMed

Pourbasheer, Eslam; Aalizadeh, Reza; Ebadi, Amin; Ganjali, Mohammad Reza

2015-01-01

Three-dimensional quantitative structure-activity relationship was developed for the series of compounds as malonyl-CoA decarboxylase antagonists (MCD) using the CoMFA and CoMSIA methods. The statistical parameters for CoMFA (q(2)=0.558, r(2)=0.841) and CoMSIA (q(2)= 0.615, r(2) = 0.870) models were derived based on 38 compounds as training set in the basis of the selected alignment. The external predictive abilities of the built models were evaluated by using the test set of nine compounds. From obtained results, the CoMSIA method was found to have highly predictive capability in comparison with CoMFA method. Based on the given results by CoMSIA and CoMFA contour maps, some features that can enhance the activity of compounds as MCD antagonists were introduced and used to design new compounds with better inhibition activity.

On stability of fixed points and chaos in fractional systems.

PubMed

Edelman, Mark

2018-02-01

In this paper, we propose a method to calculate asymptotically period two sinks and define the range of stability of fixed points for a variety of discrete fractional systems of the order 0<α<2. The method is tested on various forms of fractional generalizations of the standard and logistic maps. Based on our analysis, we make a conjecture that chaos is impossible in the corresponding continuous fractional systems.

Generalized statistical complexity measures: Geometrical and analytical properties

NASA Astrophysics Data System (ADS)

Martin, M. T.; Plastino, A.; Rosso, O. A.

2006-09-01

We discuss bounds on the values adopted by the generalized statistical complexity measures [M.T. Martin et al., Phys. Lett. A 311 (2003) 126; P.W. Lamberti et al., Physica A 334 (2004) 119] introduced by López Ruiz et al. [Phys. Lett. A 209 (1995) 321] and Shiner et al. [Phys. Rev. E 59 (1999) 1459]. Several new theorems are proved and illustrated with reference to the celebrated logistic map.

Modeling the dynamics of urban growth using multinomial logistic regression: a case study of Jiayu County, Hubei Province, China

NASA Astrophysics Data System (ADS)

Nong, Yu; Du, Qingyun; Wang, Kun; Miao, Lei; Zhang, Weiwei

2008-10-01

Urban growth modeling, one of the most important aspects of land use and land cover change study, has attracted substantial attention because it helps to comprehend the mechanisms of land use change thus helps relevant policies made. This study applied multinomial logistic regression to model urban growth in the Jiayu county of Hubei province, China to discover the relationship between urban growth and the driving forces of which biophysical and social-economic factors are selected as independent variables. This type of regression is similar to binary logistic regression, but it is more general because the dependent variable is not restricted to two categories, as those previous studies did. The multinomial one can simulate the process of multiple land use competition between urban land, bare land, cultivated land and orchard land. Taking the land use type of Urban as reference category, parameters could be estimated with odds ratio. A probability map is generated from the model to predict where urban growth will occur as a result of the computation.

Tripping with Synthetic Cannabinoids ("Spice"): Anecdotal and Experimental Observations in Animals and Man.

PubMed

Järbe, Torbjörn U C; Raghav, Jimit Girish

2017-01-01

The phenomenon of consuming synthetic cannabinoids ("Spice") for recreational purposes is a fairly recent trend. However, consumption of cannabis dates back millennia, with numerous accounts written on the experience of its consumption, and thousands of scientific reports published on the effects of its constituents in laboratory animals and humans. Here, we focus on consolidating the scientific literature on the effects of "Spice" compounds in various behavioral assays, including assessing abuse liability, tolerance, dependence, withdrawal, and potential toxicity. In most cases, the behavioral effects of "Spice" compounds are compared with those of Δ 9 -tetrahydrocannabinol. Methodological aspects, such as modes of administration and other logistical issues, are also discussed. As the original "Spice" molecules never were intended for human consumption, scientifically based information about potential toxicity and short- and long-term behavioral effects are very limited. Consequently, preclinical behavioral studies with "Spice" compounds are still in a nascent stage. Research is needed to address the addiction potential and other effects, including propensity for producing tissue/organ toxicity, of these synthetic cannabimimetic "Spice" compounds.

Identification of sero-reactive antigens for the early diagnosis of Johne’s disease in cattle

PubMed Central

Randall, Arlo; Grohn, Yrjo T.; Katani, Robab; Schilling, Megan; Radzio-Basu, Jessica

2017-01-01

Mycobacterium avium subsp. paratuberculosis (MAP) is the causative agent of Johne’s disease (JD), a chronic intestinal inflammatory disease of cattle and other ruminants. JD has a high herd prevalence and causes serious animal health problems and significant economic loss in domesticated ruminants throughout the world. Since serological detection of MAP infected animals during the early stages of infection remains challenging due to the low sensitivity of extant assays, we screened 180 well-characterized serum samples using a whole proteome microarray from Mycobacterium tuberculosis (MTB), a close relative of MAP. Based on extensive testing of serum and milk samples, fecal culture and qPCR for direct detection of MAP, the samples were previously assigned to one of 4 groups: negative low exposure (n = 30, NL); negative high exposure (n = 30, NH); fecal positive, ELISA negative (n = 60, F+E-); and fecal positive, ELISA positive (n = 60, F+E+). Of the 740 reactive proteins, several antigens were serologically recognized early but not late in infection, suggesting a complex and dynamic evolution of the MAP humoral immune response during disease progression. Ordinal logistic regression models identified a subset of 47 candidate proteins with significantly different normalized intensity values (p<0.05), including 12 in the NH and 23 in F+E- groups, suggesting potential utility for the early detection of MAP infected animals. Next, the diagnostic utility of four MAP orthologs (MAP1569, MAP2942c, MAP2609, and MAP1272c) was assessed and reveal moderate to high diagnostic sensitivities (range 48.3% to 76.7%) and specificity (range 96.7% to 100%), with a combined 88.3% sensitivity and 96.7% specificity. Taken together, the results of our analyses have identified several candidate MAP proteins of potential utility for the early detection of MAP infection, as well individual MAP proteins that may serve as the foundation for the next generation of well-defined serological diagnosis of JD in cattle. PMID:28863177

Assessing map accuracy in a remotely sensed, ecoregion-scale cover map

USGS Publications Warehouse

Edwards, T.C.; Moisen, Gretchen G.; Cutler, D.R.

1998-01-01

Landscape- and ecoregion-based conservation efforts increasingly use a spatial component to organize data for analysis and interpretation. A challenge particular to remotely sensed cover maps generated from these efforts is how best to assess the accuracy of the cover maps, especially when they can exceed 1000 s/km2 in size. Here we develop and describe a methodological approach for assessing the accuracy of large-area cover maps, using as a test case the 21.9 million ha cover map developed for Utah Gap Analysis. As part of our design process, we first reviewed the effect of intracluster correlation and a simple cost function on the relative efficiency of cluster sample designs to simple random designs. Our design ultimately combined clustered and subsampled field data stratified by ecological modeling unit and accessibility (hereafter a mixed design). We next outline estimation formulas for simple map accuracy measures under our mixed design and report results for eight major cover types and the three ecoregions mapped as part of the Utah Gap Analysis. Overall accuracy of the map was 83.2% (SE=1.4). Within ecoregions, accuracy ranged from 78.9% to 85.0%. Accuracy by cover type varied, ranging from a low of 50.4% for barren to a high of 90.6% for man modified. In addition, we examined gains in efficiency of our mixed design compared with a simple random sample approach. In regard to precision, our mixed design was more precise than a simple random design, given fixed sample costs. We close with a discussion of the logistical constraints facing attempts to assess the accuracy of large-area, remotely sensed cover maps.

Energy landscape in frustrated systems: Cation hopping in pyrochlores

NASA Astrophysics Data System (ADS)

Brooks Hinojosa, Beverly; Asthagiri, Aravind; Nino, Juan C.

2013-07-01

We investigate the dynamics of the local environment and electronic structure in inherently dipolar frustrated pyrochlore compounds to help identify the fundamental nature of dipolar disorder in pyrochlore systems and determine the necessary and sufficient conditions for dielectric relaxation. We map out the energy landscape associated with cation hopping events in three compounds and correlate the hopping pathway with experimental dielectric response. Comprehensive analysis of the calculations allows us to postulate rules to predict the occurrence of relaxation and cation hopping pathways.

Nonequilibrium Probabilistic Dynamics of the Logistic Map at the Edge of Chaos

NASA Astrophysics Data System (ADS)

Borges, Ernesto P.; Tsallis, Constantino; Añaños, Garín F.; de Oliveira, Paulo Murilo

2002-12-01

We consider nonequilibrium probabilistic dynamics in logisticlike maps xt+1=1-a|xt|z, (z>1) at their chaos threshold: We first introduce many initial conditions within one among W>>1 intervals partitioning the phase space and focus on the unique value qsen<1 for which the entropic form Sq≡(1- ∑i=1Wpqi)/(q-1) linearly increases with time. We then verify that Sqsen(t)-Sqsen(∞) vanishes like t-1/[qrel(W)-1] [qrel(W)>1]. We finally exhibit a new finite-size scaling, qrel(∞)-qrel(W)~W- |qsen|. This establishes quantitatively, for the first time, a long pursued relation between sensitivity to the initial conditions and relaxation, concepts which play central roles in nonextensive statistical mechanics.

A revised logistic regression equation and an automated procedure for mapping the probability of a stream flowing perennially in Massachusetts

USGS Publications Warehouse

Bent, Gardner C.; Steeves, Peter A.

2006-01-01

A revised logistic regression equation and an automated procedure were developed for mapping the probability of a stream flowing perennially in Massachusetts. The equation provides city and town conservation commissions and the Massachusetts Department of Environmental Protection a method for assessing whether streams are intermittent or perennial at a specific site in Massachusetts by estimating the probability of a stream flowing perennially at that site. This information could assist the environmental agencies who administer the Commonwealth of Massachusetts Rivers Protection Act of 1996, which establishes a 200-foot-wide protected riverfront area extending from the mean annual high-water line along each side of a perennial stream, with exceptions for some urban areas. The equation was developed by relating the observed intermittent or perennial status of a stream site to selected basin characteristics of naturally flowing streams (defined as having no regulation by dams, surface-water withdrawals, ground-water withdrawals, diversion, wastewater discharge, and so forth) in Massachusetts. This revised equation differs from the equation developed in a previous U.S. Geological Survey study in that it is solely based on visual observations of the intermittent or perennial status of stream sites across Massachusetts and on the evaluation of several additional basin and land-use characteristics as potential explanatory variables in the logistic regression analysis. The revised equation estimated more accurately the intermittent or perennial status of the observed stream sites than the equation from the previous study. Stream sites used in the analysis were identified as intermittent or perennial based on visual observation during low-flow periods from late July through early September 2001. The database of intermittent and perennial streams included a total of 351 naturally flowing (no regulation) sites, of which 85 were observed to be intermittent and 266 perennial. Stream sites included in the database had drainage areas that ranged from 0.04 to 10.96 square miles. Of the 66 stream sites with drainage areas greater than 2.00 square miles, 2 sites were intermittent and 64 sites were perennial. Thus, stream sites with drainage areas greater than 2.00 square miles were assumed to flow perennially, and the database used to develop the logistic regression equation included only those stream sites with drainage areas less than 2.00 square miles. The database for the equation included 285 stream sites that had drainage areas less than 2.00 square miles, of which 83 sites were intermittent and 202 sites were perennial. Results of the logistic regression analysis indicate that the probability of a stream flowing perennially at a specific site in Massachusetts can be estimated as a function of four explanatory variables: (1) drainage area (natural logarithm), (2) areal percentage of sand and gravel deposits, (3) areal percentage of forest land, and (4) region of the state (eastern region or western region). Although the equation provides an objective means of determining the probability of a stream flowing perennially at a specific site, the reliability of the equation is constrained by the data used in its development. The equation is not recommended for (1) losing stream reaches or (2) streams whose ground-water contributing areas do not coincide with their surface-water drainage areas, such as many streams draining the Southeast Coastal Region-the southern part of the South Coastal Basin, the eastern part of the Buzzards Bay Basin, and the entire area of the Cape Cod and the Islands Basins. If the equation were used on a regulated stream site, the estimated intermittent or perennial status would reflect the natural flow conditions for that site. An automated mapping procedure was developed to determine the intermittent or perennial status of stream sites along reaches throughout a basin. The procedure delineates the drainage area boundaries, determines values for the four explanatory variables, and solves the equation for estimating the probability of a stream flowing perennially at two locations on a headwater (first-order) stream reach-one near its confluence or end point and one near its headwaters or start point. The automated procedure then determines the intermittent or perennial status of the reach on the basis of the calculated probability values and a probability cutpoint (a stream is considered to flow perennially at a cutpoint of 0.56 or greater for this study) for the two locations or continues to loop upstream or downstream between locations less than and greater than the cutpoint of 0.56 to determine the transition point from an intermittent to a perennial stream. If the first-order stream reach is determined to be intermittent, the procedure moves to the next downstream reach and repeats the same process. The automated procedure then moves to the next first-order stream and repeats the process until the entire basin is mapped. A map of the intermittent and perennial stream reaches in the Shawsheen River Basin is provided on a CD-ROM that accompanies this report. The CD-ROM also contains ArcReader 9.0, a freeware product, that allows a user to zoom in and out, set a scale, pan, turn on and off map layers (such as a USGS topographic map), and print a map of the stream site with a scale bar. Maps of the intermittent and perennial stream reaches in Massachusetts will provide city and town conservation commissions and the Massachusetts Department of Environmental Protection with an additional method for assessing the intermittent or perennial status of stream sites.

Methods for inferring health-related social networks among coworkers from online communication patterns.

PubMed

Matthews, Luke J; DeWan, Peter; Rula, Elizabeth Y

2013-01-01

Studies of social networks, mapped using self-reported contacts, have demonstrated the strong influence of social connections on the propensity for individuals to adopt or maintain healthy behaviors and on their likelihood to adopt health risks such as obesity. Social network analysis may prove useful for businesses and organizations that wish to improve the health of their populations by identifying key network positions. Health traits have been shown to correlate across friendship ties, but evaluating network effects in large coworker populations presents the challenge of obtaining sufficiently comprehensive network data. The purpose of this study was to evaluate methods for using online communication data to generate comprehensive network maps that reproduce the health-associated properties of an offline social network. In this study, we examined three techniques for inferring social relationships from email traffic data in an employee population using thresholds based on: (1) the absolute number of emails exchanged, (2) logistic regression probability of an offline relationship, and (3) the highest ranked email exchange partners. As a model of the offline social network in the same population, a network map was created using social ties reported in a survey instrument. The email networks were evaluated based on the proportion of survey ties captured, comparisons of common network metrics, and autocorrelation of body mass index (BMI) across social ties. Results demonstrated that logistic regression predicted the greatest proportion of offline social ties, thresholding on number of emails exchanged produced the best match to offline network metrics, and ranked email partners demonstrated the strongest autocorrelation of BMI. Since each method had unique strengths, researchers should choose a method based on the aspects of offline behavior of interest. Ranked email partners may be particularly useful for purposes related to health traits in a social network.

Methods for Inferring Health-Related Social Networks among Coworkers from Online Communication Patterns

PubMed Central

Matthews, Luke J.; DeWan, Peter; Rula, Elizabeth Y.

2013-01-01

Studies of social networks, mapped using self-reported contacts, have demonstrated the strong influence of social connections on the propensity for individuals to adopt or maintain healthy behaviors and on their likelihood to adopt health risks such as obesity. Social network analysis may prove useful for businesses and organizations that wish to improve the health of their populations by identifying key network positions. Health traits have been shown to correlate across friendship ties, but evaluating network effects in large coworker populations presents the challenge of obtaining sufficiently comprehensive network data. The purpose of this study was to evaluate methods for using online communication data to generate comprehensive network maps that reproduce the health-associated properties of an offline social network. In this study, we examined three techniques for inferring social relationships from email traffic data in an employee population using thresholds based on: (1) the absolute number of emails exchanged, (2) logistic regression probability of an offline relationship, and (3) the highest ranked email exchange partners. As a model of the offline social network in the same population, a network map was created using social ties reported in a survey instrument. The email networks were evaluated based on the proportion of survey ties captured, comparisons of common network metrics, and autocorrelation of body mass index (BMI) across social ties. Results demonstrated that logistic regression predicted the greatest proportion of offline social ties, thresholding on number of emails exchanged produced the best match to offline network metrics, and ranked email partners demonstrated the strongest autocorrelation of BMI. Since each method had unique strengths, researchers should choose a method based on the aspects of offline behavior of interest. Ranked email partners may be particularly useful for purposes related to health traits in a social network. PMID:23418436

Preliminary geologic map of the Perris 7.5' quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; Digital preparation by Bovard, Kelly R.; Alvarez, Rachel M.

2003-01-01

Open-File Report 03-270 contains a digital geologic map database of the Perris 7.5’ quadrangle, Riverside County, California that includes: 1. ARC/INFO (Environmental Systems Research Institute, http://www.esri.com) version 7.2.1 coverages of the various elements of the geologic map. 2. A Postscript file to plot the geologic map on a topographic base, and containing a Correlation of Map Units diagram (CMU), a Description of Map Units (DMU), and an index map. 3. Portable Document Format (.pdf) files of: a. A Readme file b. The same graphic as described in 2 above. Test plots have not produced precise 1:24,000- scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formationname, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc.

On-rate based optimization of structure-kinetic relationship--surfing the kinetic map.

PubMed

Schoop, Andreas; Dey, Fabian

2015-10-01

In the lead discovery process residence time has become an important parameter for the identification and characterization of the most efficacious compounds in vivo. To enable the success of compound optimization by medicinal chemistry toward a desired residence time the understanding of structure-kinetic relationship (SKR) is essential. This article reviews various approaches to monitor SKR and suggests using the on-rate as the key monitoring parameter. The literature is reviewed and examples of compound series with low variability as well as with significant changes in on-rates are highlighted. Furthermore, findings of kinetic on-rate changes are presented and potential underlying rationales are discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Marine Air Penetration: The Effect of Synoptic-scale Change on Regional Climate

NASA Astrophysics Data System (ADS)

Wang, M.; Ullrich, P. A.

2016-12-01

Marine air penetration (MAP) around the California San Francisco Bay Delta region has a pronounced impact on local temperature and air quality, and is highly correlated with inland wind penetration and hence wind power generation. Observational MAP criteria are defined based on the 900hPa across-shore wind speed greater than or equal to 3m/s at the Oakland radiosonde station, and a surface temperature difference greater than or equal to 7 degrees Celsius between two California Irrigation Management Information System (CIMIS) stations at Fresno, CA and Lodi, CA. This choice reflects marine cooling of Lodi, and was found to be highly correlated with inland specific humidity and breeze front activity. The observational MAP criteria were tuned based on small biases from Climate Forecast System Reanalysis (CFSR) to selected MAP days from CFSR, to identify synoptic-scale indicators associated with MAP events. A multivariate logistic regression model was constructed based on the selected five synoptic indicators from CFSR and demonstrated good model performance. Two synoptic-scale patterns were identified and analyzed out of the 32 categories from the regression model, suggesting a strong influence from the off-shore trough and the inland thermal ridge on MAP events. Future projection of MAP events included the 21st century Coupled Model Intercomparison Project Phase 5 (CMIP5), and Variable resolution in the Community Earth System Model (VR-CESM). Both showed no statistically significant trend associated with MAP events through the end of this century under both Representative Concentration Pathways (RCP) 2.6 and RCP 8.5.

Research, methodology, and applications of probabilistic seismic-hazard mapping of the Central and Eastern United States; minutes of a workshop on June 13-14, 2000, at Saint Louis University

USGS Publications Warehouse

Wheeler, Russell L.; Perkins, David M.

2000-01-01

The U.S. Geological Survey (USGS) is updating and revising its 1996 national seismic-hazard maps for release in 2001. Part of this process is the convening of four regional workshops with earth scientists and other users of the maps. The second of these workshops was sponsored by the USGS and the Mid-America Earthquake Center, and was hosted by Saint Louis University on June 13-14, 2000.The workshop concentrated on the central and eastern U.S. (CEUS) east of the Rocky Mountains. The tasks of the workshop were to (1) evaluate new research findings that are relevant to seismic hazard mapping, (2) discuss modifications in the inputs and methodology used in the national maps, (3) discuss concerns by engineers and other users about the scientific input to the maps and the use of the hazard maps in building codes, and (4) identify needed research in the CEUS that can improve the seismic hazard maps and reduce their uncertainties. These minutes summarize the workshop discussions. This is not a transcript; some individual remarks and short discussions of side issues and logistics were omitted. Named speakers were sent a draft of the minutes with a request for corrections of any errors in remarks attributed to them. Nine people returned corrections, amplifications, or approvals of their remarks as reported. The rest of this document consists of the meeting agenda, discussion summaries, and a list of the 60 attendees.

Potentials Unbounded Below

NASA Astrophysics Data System (ADS)

Curtright, Thomas

2011-04-01

Continuous interpolates are described for classical dynamical systems defined by discrete time-steps. Functional conjugation methods play a central role in obtaining the interpolations. The interpolates correspond to particle motion in an underlying potential, V. Typically, V has no lower bound and can exhibit switchbacks wherein V changes form when turning points are encountered by the particle. The Beverton-Holt and Skellam models of population dynamics, and particular cases of the logistic map are used to illustrate these features.

Wildlife tradeoffs based on landscape models of habitat preference

USGS Publications Warehouse

Loehle, C.; Mitchell, M.S.; White, M.

2000-01-01

Wildlife tradeoffs based on landscape models of habitat preference were presented. Multiscale logistic regression models were used and based on these models a spatial optimization technique was utilized to generate optimal maps. The tradeoffs were analyzed by gradually increasing the weighting on a single species in the objective function over a series of simulations. Results indicated that efficiency of habitat management for species diversity could be maximized for small landscapes by incorporating spatial context.

A Community of Interests: NATO and the Military Assistance Program, 1948 - 1951,

DTIC Science & Technology

1980-01-01

the fiscal year 1950, estimating its cost to the United States and indicating its logistic implications. Military assistance for Greece, Turkey, Iran...could maintain during fiscal year 1949 without affecting the economies of the individual countries concerned. This chiefly required meeting deficiencies...additional funds during the fiscal year.85 The JCS expressed concern about the effect of the MAP upon U.S. military preparedness. Even after an intensive

Using ancestry matching to combine family-based and unrelated samples for genome-wide association studies‡

PubMed Central

Crossett, Andrew; Kent, Brian P.; Klei, Lambertus; Ringquist, Steven; Trucco, Massimo; Roeder, Kathryn; Devlin, Bernie

2015-01-01

We propose a method to analyze family-based samples together with unrelated cases and controls. The method builds on the idea of matched case–control analysis using conditional logistic regression (CLR). For each trio within the family, a case (the proband) and matched pseudo-controls are constructed, based upon the transmitted and untransmitted alleles. Unrelated controls, matched by genetic ancestry, supplement the sample of pseudo-controls; likewise unrelated cases are also paired with genetically matched controls. Within each matched stratum, the case genotype is contrasted with control pseudo-control genotypes via CLR, using a method we call matched-CLR (mCLR). Eigenanalysis of numerous SNP genotypes provides a tool for mapping genetic ancestry. The result of such an analysis can be thought of as a multidimensional map, or eigenmap, in which the relative genetic similarities and differences amongst individuals is encoded in the map. Once constructed, new individuals can be projected onto the ancestry map based on their genotypes. Successful differentiation of individuals of distinct ancestry depends on having a diverse, yet representative sample from which to construct the ancestry map. Once samples are well-matched, mCLR yields comparable power to competing methods while ensuring excellent control over Type I error. PMID:20862653

A probabilistic cellular automata model for the dynamics of a population driven by logistic growth and weak Allee effect

NASA Astrophysics Data System (ADS)

Mendonça, J. R. G.

2018-04-01

We propose and investigate a one-parameter probabilistic mixture of one-dimensional elementary cellular automata under the guise of a model for the dynamics of a single-species unstructured population with nonoverlapping generations in which individuals have smaller probability of reproducing and surviving in a crowded neighbourhood but also suffer from isolation and dispersal. Remarkably, the first-order mean field approximation to the dynamics of the model yields a cubic map containing terms representing both logistic and weak Allee effects. The model has a single absorbing state devoid of individuals, but depending on the reproduction and survival probabilities can achieve a stable population. We determine the critical probability separating these two phases and find that the phase transition between them is in the directed percolation universality class of critical behaviour.

Bacterial Community and Spoilage Profiles Shift in Response to Packaging in Yellow-Feather Broiler, a Highly Popular Meat in Asia

PubMed Central

Wang, Huhu; Zhang, Xinxiao; Wang, Guangyu; Jia, Kun; Xu, Xinglian; Zhou, Guanghong

2017-01-01

The consumption of yellow-feathered broiler has been advocated for purchasing with chilled meat rather than live broilers in Asia due to the outbreaks of animal influenza. Here, the microbial community of chilled yellow-feathered broiler response to modified-air packaging (MAP, 80% CO2/20% N2) and penetrated-air packaging (PAP, air-filling) during storage was revealed by a combination of whole-metagenome shotgun sequencing and traditional isolation methods, and the volatile organic compounds and proteolytic activity of representative dominant isolates were also accessed. The results revealed that MAP prolonged shelf life from 4 to 8 days compared to PAP, when the numbers of total viable counts and lactic acid bacteria reached more than 7 log CFU/g. Aeromonas, Acinetobacter, Escherichia, and Streptococcus occupied the bacteria communities in initial broiler carcasses. MAP dramatically increased the bacteria diversity during storage compared to PAP. Clear shifts of the dominant bacteria species were obviously observed, with the top genera of Aeromonas, Lactococcus, Serratia, and Shewanella in MAP, whereas the microbial communities in PAP were largely dominated by Pseudomonas. The isolates of Pseudomonas from PAP carcasses and Aeromonas from MAP carcasses displayed strong proteolytic activities. Meanwhile, the principal component analysis based on the volatile organic compounds indicated that the metabolic profiles greatly varied between each treatment, and no link between the natural odor of spoilage meat in situ and the volatile odor of the dominant isolates incubated in standard culture was found. These data could lead to new insights into the bacteria communities of yellow-feathered broiler meat during storage and would benefit the development of novel preservative approaches. PMID:29312261

Virtual screening filters for the design of type II p38 MAP kinase inhibitors: a fragment based library generation approach.

PubMed

Badrinarayan, Preethi; Sastry, G Narahari

2012-04-01

In this work, we introduce the development and application of a three-step scoring and filtering procedure for the design of type II p38 MAP kinase leads using allosteric fragments extracted from virtual screening hits. The design of the virtual screening filters is based on a thorough evaluation of docking methods, DFG-loop conformation, binding interactions and chemotype specificity of the 138 p38 MAP kinase inhibitors from Protein Data Bank bound to DFG-in and DFG-out conformations using Glide, GOLD and CDOCKER. A 40 ns molecular dynamics simulation with the apo, type I with DFG-in and type II with DFG-out forms was carried out to delineate the effects of structural variations on inhibitor binding. The designed docking-score and sub-structure filters were first tested on a dataset of 249 potent p38 MAP kinase inhibitors from seven diverse series and 18,842 kinase inhibitors from PDB, to gauge their capacity to discriminate between kinase and non-kinase inhibitors and likewise to selectively filter-in target-specific inhibitors. The designed filters were then applied in the virtual screening of a database of ten million (10⁷) compounds resulting in the identification of 100 hits. Based on their binding modes, 98 allosteric fragments were extracted from the hits and a fragment library was generated. New type II p38 MAP kinase leads were designed by tailoring the existing type I ATP site binders with allosteric fragments using a common urea linker. Target specific virtual screening filters can thus be easily developed for other kinases based on this strategy to retrieve target selective compounds. Copyright © 2012 Elsevier Inc. All rights reserved.

Use of plume mapping data to estimate chlorinated solvent mass loss

USGS Publications Warehouse

Barbaro, J.R.; Neupane, P.P.

2006-01-01

Results from a plume mapping study from November 2000 through February 2001 in the sand-and-gravel surficial aquifer at Dover Air Force Base, Delaware, were used to assess the occurrence and extent of chlorinated solvent mass loss by calculating mass fluxes across two transverse cross sections and by observing changes in concentration ratios and mole fractions along a longitudinal cross section through the core of the plume. The plume mapping investigation was conducted to determine the spatial distribution of chlorinated solvents migrating from former waste disposal sites. Vertical contaminant concentration profiles were obtained with a direct-push drill rig and multilevel piezometers. These samples were supplemented with additional ground water samples collected with a minipiezometer from the bed of a perennial stream downgradient of the source areas. Results from the field program show that the plume, consisting mainly of tetrachloroethylene (PCE), trichloroethene (TCE), and cis-1,2-dichloroethene (cis-1,2-DCE), was approximately 670 m in length and 120 m in width, extended across much of the 9- to 18-m thickness of the surficial aquifer, and discharged to the stream in some areas. The analyses of the plume mapping data show that losses of the parent compounds, PCE and TCE, were negligible downgradient of the source. In contrast, losses of cis-1,2-DCE, a daughter compound, were observed in this plume. These losses very likely resulted from biodegradation, but the specific reaction mechanism could not be identified. This study demonstrates that plume mapping data can be used to estimate the occurrence and extent of chlorinated solvent mass loss from biodegradation and assess the effectiveness of natural attenuation as a remedial measure.

Submicron-Scale Heterogeneities in Nickel Sorption of Various Cell-Mineral Aggregates Formed by Fe(II)-Oxidizing Bacteria.

PubMed

Schmid, Gregor; Zeitvogel, Fabian; Hao, Likai; Ingino, Pablo; Adaktylou, Irini; Eickhoff, Merle; Obst, Martin

2016-01-05

Fe(II)-oxidizing bacteria form biogenic cell-mineral aggregates (CMAs) composed of microbial cells, extracellular organic compounds, and ferric iron minerals. CMAs are capable of immobilizing large quantities of heavy metals, such as nickel, via sorption processes. CMAs play an important role for the fate of heavy metals in the environment, particularly in systems characterized by elevated concentrations of dissolved metals, such as mine drainage or contaminated sediments. We applied scanning transmission (soft) X-ray microscopy (STXM) spectrotomography for detailed 3D chemical mapping of nickel sorbed to CMAs on the submicron scale. We analyzed different CMAs produced by phototrophic or nitrate-reducing microbial Fe(II) oxidation and, in addition, a twisted stalk structure obtained from an environmental biofilm. Nickel showed a heterogeneous distribution and was found to be preferentially sorbed to biogenically precipitated iron minerals such as Fe(III)-(oxyhydr)oxides and, to a minor extent, associated with organic compounds. Some distinct nickel accumulations were identified on the surfaces of CMAs. Additional information obtained from scatter plots and angular distance maps, showing variations in the nickel-iron and nickel-organic carbon ratios, also revealed a general correlation between nickel and iron. Although a high correlation between nickel and iron was observed in 2D maps, 3D maps revealed this to be partly due to projection artifacts. In summary, by combining different approaches for data analysis, we unambiguously showed the heterogeneous sorption behavior of nickel to CMAs.

Mapping and quantifying isomer sets of hydrocarbons (≥ C12) in diesel exhaust, lubricating oil and diesel fuel samples using GC × GC-ToF-MS

NASA Astrophysics Data System (ADS)

Alam, Mohammed S.; Zeraati-Rezaei, Soheil; Liang, Zhirong; Stark, Christopher; Xu, Hongming; MacKenzie, A. Rob; Harrison, Roy M.

2018-05-01

Airborne particles and vapours, like many other environmental samples including water, soils and sediments, contain complex mixtures of hydrocarbons, often deriving from crude oil either before or after fractionation into fuels, lubricants and feedstocks. Comprehensive 2D gas chromatography time-of-flight mass spectrometry (GC × GC-ToF-MS), offers a very powerful technique that separates and identifies many compounds in complicated hydrocarbon mixtures. However, quantification and identification of individual constituents at high ionization energies would require hundreds of expensive (when available) standards for calibration. Although the precise chemical structure of hydrocarbons does matter for their environmental impact and fate, strong similarities can be expected for compounds having very similar chemical structures and carbon numbers. There is, therefore, a clear benefit in an analytical technique which is specific enough to separate different classes of compounds and to distinguish homologous series while avoiding the need to handle each isomer individually. Varying EI (electron impact) ionization mass spectrometry significantly enhances the identification of individual isomers and homologous compound groups, which we refer to as isomer sets. Advances are reported in mapping and quantifying isomer sets of hydrocarbons (≥ C12) in diesel fuel, lubricating oil and diesel exhaust emissions. By using this analysis we report mass closures of ca. 90 and 75 % for diesel fuel and lubricating oil, and identify 85 and 75 % of the total ion current for gas- and particulate-phase diesel exhaust emissions.

Comparative analyses of structural features and scaffold diversity for purchasable compound libraries.

PubMed

Shang, Jun; Sun, Huiyong; Liu, Hui; Chen, Fu; Tian, Sheng; Pan, Peichen; Li, Dan; Kong, Dexin; Hou, Tingjun

2017-04-21

Large purchasable screening libraries of small molecules afforded by commercial vendors are indispensable sources for virtual screening (VS). Selecting an optimal screening library for a specific VS campaign is quite important to improve the success rates and avoid wasting resources in later experimental phases. Analysis of the structural features and molecular diversity for different screening libraries can provide valuable information to the decision making process when selecting screening libraries for VS. In this study, the structural features and scaffold diversity of eleven purchasable screening libraries and Traditional Chinese Medicine Compound Database (TCMCD) were analyzed and compared. Their scaffold diversity represented by the Murcko frameworks and Level 1 scaffolds was characterized by the scaffold counts and cumulative scaffold frequency plots, and visualized by Tree Maps and SAR Maps. The analysis demonstrates that, based on the standardized subsets with similar molecular weight distributions, Chembridge, ChemicalBlock, Mucle, TCMCD and VitasM are more structurally diverse than the others. Compared with all purchasable screening libraries, TCMCD has the highest structural complexity indeed but more conservative molecular scaffolds. Moreover, we found that some representative scaffolds were important components of drug candidates against different drug targets, such as kinases and guanosine-binding protein coupled receptors, and therefore the molecules containing pharmacologically important scaffolds found in screening libraries might be potential inhibitors against the relevant targets. This study may provide valuable perspective on which purchasable compound libraries are better for you to screen. Graphical abstract Selecting diverse compound libraries with scaffold analyses.

Spatiotemporal chaos in mixed linear-nonlinear two-dimensional coupled logistic map lattice

NASA Astrophysics Data System (ADS)

Zhang, Ying-Qian; He, Yi; Wang, Xing-Yuan

2018-01-01

We investigate a new spatiotemporal dynamics with mixing degrees of nonlinear chaotic maps for spatial coupling connections based on 2DCML. Here, the coupling methods are including with linear neighborhood coupling and the nonlinear chaotic map coupling of lattices, and the former 2DCML system is only a special case in the proposed system. In this paper the criteria such Kolmogorov-Sinai entropy density and universality, bifurcation diagrams, space-amplitude and snapshot pattern diagrams are provided in order to investigate the chaotic behaviors of the proposed system. Furthermore, we also investigate the parameter ranges of the proposed system which holds those features in comparisons with those of the 2DCML system and the MLNCML system. Theoretical analysis and computer simulation indicate that the proposed system contains features such as the higher percentage of lattices in chaotic behaviors for most of parameters, less periodic windows in bifurcation diagrams and the larger range of parameters for chaotic behaviors, which is more suitable for cryptography.

Secure chaotic map based block cryptosystem with application to camera sensor networks.

PubMed

Guo, Xianfeng; Zhang, Jiashu; Khan, Muhammad Khurram; Alghathbar, Khaled

2011-01-01

Recently, Wang et al. presented an efficient logistic map based block encryption system. The encryption system employs feedback ciphertext to achieve plaintext dependence of sub-keys. Unfortunately, we discovered that their scheme is unable to withstand key stream attack. To improve its security, this paper proposes a novel chaotic map based block cryptosystem. At the same time, a secure architecture for camera sensor network is constructed. The network comprises a set of inexpensive camera sensors to capture the images, a sink node equipped with sufficient computation and storage capabilities and a data processing server. The transmission security between the sink node and the server is gained by utilizing the improved cipher. Both theoretical analysis and simulation results indicate that the improved algorithm can overcome the flaws and maintain all the merits of the original cryptosystem. In addition, computational costs and efficiency of the proposed scheme are encouraging for the practical implementation in the real environment as well as camera sensor network.

Secure Chaotic Map Based Block Cryptosystem with Application to Camera Sensor Networks

PubMed Central

Guo, Xianfeng; Zhang, Jiashu; Khan, Muhammad Khurram; Alghathbar, Khaled

2011-01-01

Recently, Wang et al. presented an efficient logistic map based block encryption system. The encryption system employs feedback ciphertext to achieve plaintext dependence of sub-keys. Unfortunately, we discovered that their scheme is unable to withstand key stream attack. To improve its security, this paper proposes a novel chaotic map based block cryptosystem. At the same time, a secure architecture for camera sensor network is constructed. The network comprises a set of inexpensive camera sensors to capture the images, a sink node equipped with sufficient computation and storage capabilities and a data processing server. The transmission security between the sink node and the server is gained by utilizing the improved cipher. Both theoretical analysis and simulation results indicate that the improved algorithm can overcome the flaws and maintain all the merits of the original cryptosystem. In addition, computational costs and efficiency of the proposed scheme are encouraging for the practical implementation in the real environment as well as camera sensor network. PMID:22319371

Using Logistic Regression To Predict the Probability of Debris Flows Occurring in Areas Recently Burned By Wildland Fires

USGS Publications Warehouse

Rupert, Michael G.; Cannon, Susan H.; Gartner, Joseph E.

2003-01-01

Logistic regression was used to predict the probability of debris flows occurring in areas recently burned by wildland fires. Multiple logistic regression is conceptually similar to multiple linear regression because statistical relations between one dependent variable and several independent variables are evaluated. In logistic regression, however, the dependent variable is transformed to a binary variable (debris flow did or did not occur), and the actual probability of the debris flow occurring is statistically modeled. Data from 399 basins located within 15 wildland fires that burned during 2000-2002 in Colorado, Idaho, Montana, and New Mexico were evaluated. More than 35 independent variables describing the burn severity, geology, land surface gradient, rainfall, and soil properties were evaluated. The models were developed as follows: (1) Basins that did and did not produce debris flows were delineated from National Elevation Data using a Geographic Information System (GIS). (2) Data describing the burn severity, geology, land surface gradient, rainfall, and soil properties were determined for each basin. These data were then downloaded to a statistics software package for analysis using logistic regression. (3) Relations between the occurrence/non-occurrence of debris flows and burn severity, geology, land surface gradient, rainfall, and soil properties were evaluated and several preliminary multivariate logistic regression models were constructed. All possible combinations of independent variables were evaluated to determine which combination produced the most effective model. The multivariate model that best predicted the occurrence of debris flows was selected. (4) The multivariate logistic regression model was entered into a GIS, and a map showing the probability of debris flows was constructed. The most effective model incorporates the percentage of each basin with slope greater than 30 percent, percentage of land burned at medium and high burn severity in each basin, particle size sorting, average storm intensity (millimeters per hour), soil organic matter content, soil permeability, and soil drainage. The results of this study demonstrate that logistic regression is a valuable tool for predicting the probability of debris flows occurring in recently-burned landscapes.

Methods to measure potential spatial access to delivery care in low- and middle-income countries: a case study in rural Ghana.

PubMed

Nesbitt, Robin C; Gabrysch, Sabine; Laub, Alexandra; Soremekun, Seyi; Manu, Alexander; Kirkwood, Betty R; Amenga-Etego, Seeba; Wiru, Kenneth; Höfle, Bernhard; Grundy, Chris

2014-06-26

Access to skilled attendance at childbirth is crucial to reduce maternal and newborn mortality. Several different measures of geographic access are used concurrently in public health research, with the assumption that sophisticated methods are generally better. Most of the evidence for this assumption comes from methodological comparisons in high-income countries. We compare different measures of travel impedance in a case study in Ghana's Brong Ahafo region to determine if straight-line distance can be an adequate proxy for access to delivery care in certain low- and middle-income country (LMIC) settings. We created a geospatial database, mapping population location in both compounds and village centroids, service locations for all health facilities offering delivery care, land-cover and a detailed road network. Six different measures were used to calculate travel impedance to health facilities (straight-line distance, network distance, network travel time and raster travel time, the latter two both mechanized and non-mechanized). The measures were compared using Spearman rank correlation coefficients, absolute differences, and the percentage of the same facilities identified as closest. We used logistic regression with robust standard errors to model the association of the different measures with health facility use for delivery in 9,306 births. Non-mechanized measures were highly correlated with each other, and identified the same facilities as closest for approximately 80% of villages. Measures calculated from compounds identified the same closest facility as measures from village centroids for over 85% of births. For 90% of births, the aggregation error from using village centroids instead of compound locations was less than 35 minutes and less than 1.12 km. All non-mechanized measures showed an inverse association with facility use of similar magnitude, an approximately 67% reduction in odds of facility delivery per standard deviation increase in each measure (OR = 0.33). Different data models and population locations produced comparable results in our case study, thus demonstrating that straight-line distance can be reasonably used as a proxy for potential spatial access in certain LMIC settings. The cost of obtaining individually geocoded population location and sophisticated measures of travel impedance should be weighed against the gain in accuracy.

Lunar Surface Architecture Utilization and Logistics Support Assessment

NASA Astrophysics Data System (ADS)

Bienhoff, Dallas; Findiesen, William; Bayer, Martin; Born, Andrew; McCormick, David

2008-01-01

Crew and equipment utilization and logistics support needs for the point of departure lunar outpost as presented by the NASA Lunar Architecture Team (LAT) and alternative surface architectures were assessed for the first ten years of operation. The lunar surface architectures were evaluated and manifests created for each mission. Distances between Lunar Surface Access Module (LSAM) landing sites and emplacement locations were estimated. Physical characteristics were assigned to each surface element and operational characteristics were assigned to each surface mobility element. Stochastic analysis was conducted to assess probable times to deploy surface elements, conduct exploration excursions, and perform defined crew activities. Crew time is divided into Outpost-related, exploration and science, overhead, and personal activities. Outpost-related time includes element deployment, EVA maintenance, IVA maintenance, and logistics resupply. Exploration and science activities include mapping, geological surveys, science experiment deployment, sample analysis and categorizing, and physiological and biological tests in the lunar environment. Personal activities include sleeping, eating, hygiene, exercising, and time off. Overhead activities include precursor or close-out tasks that must be accomplished but don't fit into the other three categories such as: suit donning and doffing, airlock cycle time, suit cleaning, suit maintenance, post-landing safing actions, and pre-departure preparations. Equipment usage time, spares, maintenance actions, and Outpost consumables are also estimated to provide input into logistics support planning. Results are normalized relative to the NASA LAT point of departure lunar surface architecture.

Digital Geologic Map of the Wallace 1:100,000 Quadrangle, Idaho

USGS Publications Warehouse

Lewis, Reed S.; Burmester, Russell F.; McFaddan, Mark D.; Derkey, Pamela D.; Oblad, Jon R.

1999-01-01

The geology of the Wallace 1:100,000 quadrangle, Idaho was compiled by Reed S. Lewis in 1997 primarily from published materials including 1983 data from Foster, Harrison's unpublished mapping done from 1975 to 1985, Hietenan's 1963, 1967, 1968, and 1984 mapping, Hobbs and others 1965 mapping, and Vance's 1981 mapping, supplemented by eight weeks of field mapping by Reed S. Lewis, Russell F. Burmester, and Mark D. McFaddan in 1997 and 1998. This geologic map information was inked onto a 1:100,000-scale greenline mylar of the topographic base map for input into a geographic information system (GIS). The resulting digital geologic map GIS can be queried in many ways to produce a variety of geologic maps. Digital base map data files (topography, roads, towns, rivers and lakes, etc.) are not included: they may be obtained from a variety of commercial and government sources. This database is not meant to be used or displayed at any scale larger than 1:100,000 (e.g., 1:62,500 or 1:24,000). The map area is located in north Idaho. The primary sources of map data are shown in figure 2 and additional sources are shown in figure 3. This open-file report describes the geologic map units, the methods used to convert the geologic map data into a digital format, the Arc/Info GIS file structures and relationships, and explains how to download the digital files from the U.S. Geological Survey public access World Wide Web site on the Internet. Mapping and compilation was completed by the Idaho Geological Survey under contract with the U.S. Geological Survey (USGS) office in Spokane, Washington. The authors would like to acknowledge the help of the following field assistants: Josh Goodman, Yvonne Issak, Jeremy Johnson and Kevin Myer. Don Winston provided help with our ongoing study of Belt stratigraphy, and Tom Frost assisted with logistical problems and sample collection. Manuscript reviews by Steve Box, Tom Frost, and Brian White are greatly appreciated. We wish to thank Karen S. Bolm of the USGS for reviewing the digital files.

Predicting human liver microsomal stability with machine learning techniques.

PubMed

Sakiyama, Yojiro; Yuki, Hitomi; Moriya, Takashi; Hattori, Kazunari; Suzuki, Misaki; Shimada, Kaoru; Honma, Teruki

2008-02-01

To ensure a continuing pipeline in pharmaceutical research, lead candidates must possess appropriate metabolic stability in the drug discovery process. In vitro ADMET (absorption, distribution, metabolism, elimination, and toxicity) screening provides us with useful information regarding the metabolic stability of compounds. However, before the synthesis stage, an efficient process is required in order to deal with the vast quantity of data from large compound libraries and high-throughput screening. Here we have derived a relationship between the chemical structure and its metabolic stability for a data set of in-house compounds by means of various in silico machine learning such as random forest, support vector machine (SVM), logistic regression, and recursive partitioning. For model building, 1952 proprietary compounds comprising two classes (stable/unstable) were used with 193 descriptors calculated by Molecular Operating Environment. The results using test compounds have demonstrated that all classifiers yielded satisfactory results (accuracy > 0.8, sensitivity > 0.9, specificity > 0.6, and precision > 0.8). Above all, classification by random forest as well as SVM yielded kappa values of approximately 0.7 in an independent validation set, slightly higher than other classification tools. These results suggest that nonlinear/ensemble-based classification methods might prove useful in the area of in silico ADME modeling.

A Flexible Workflow for Automated Bioluminescent Kinase Selectivity Profiling.

PubMed

Worzella, Tracy; Butzler, Matt; Hennek, Jacquelyn; Hanson, Seth; Simdon, Laura; Goueli, Said; Cowan, Cris; Zegzouti, Hicham

2017-04-01

Kinase profiling during drug discovery is a necessary process to confirm inhibitor selectivity and assess off-target activities. However, cost and logistical limitations prevent profiling activities from being performed in-house. We describe the development of an automated and flexible kinase profiling workflow that combines ready-to-use kinase enzymes and substrates in convenient eight-tube strips, a bench-top liquid handling device, ADP-Glo Kinase Assay (Promega, Madison, WI) technology to quantify enzyme activity, and a multimode detection instrument. Automated methods were developed for kinase reactions and quantification reactions to be assembled on a Gilson (Middleton, WI) PIPETMAX, following standardized plate layouts for single- and multidose compound profiling. Pipetting protocols were customized at runtime based on user-provided information, including compound number, increment for compound titrations, and number of kinase families to use. After the automated liquid handling procedures, a GloMax Discover (Promega) microplate reader preloaded with SMART protocols was used for luminescence detection and automatic data analysis. The functionality of the automated workflow was evaluated with several compound-kinase combinations in single-dose or dose-response profiling formats. Known target-specific inhibitions were confirmed. Novel small molecule-kinase interactions, including off-target inhibitions, were identified and confirmed in secondary studies. By adopting this streamlined profiling process, researchers can quickly and efficiently profile compounds of interest on site.

Computational-experimental approach to drug-target interaction mapping: A case study on kinase inhibitors

PubMed Central

Ravikumar, Balaguru; Parri, Elina; Timonen, Sanna; Airola, Antti; Wennerberg, Krister

2017-01-01

Due to relatively high costs and labor required for experimental profiling of the full target space of chemical compounds, various machine learning models have been proposed as cost-effective means to advance this process in terms of predicting the most potent compound-target interactions for subsequent verification. However, most of the model predictions lack direct experimental validation in the laboratory, making their practical benefits for drug discovery or repurposing applications largely unknown. Here, we therefore introduce and carefully test a systematic computational-experimental framework for the prediction and pre-clinical verification of drug-target interactions using a well-established kernel-based regression algorithm as the prediction model. To evaluate its performance, we first predicted unmeasured binding affinities in a large-scale kinase inhibitor profiling study, and then experimentally tested 100 compound-kinase pairs. The relatively high correlation of 0.77 (p < 0.0001) between the predicted and measured bioactivities supports the potential of the model for filling the experimental gaps in existing compound-target interaction maps. Further, we subjected the model to a more challenging task of predicting target interactions for such a new candidate drug compound that lacks prior binding profile information. As a specific case study, we used tivozanib, an investigational VEGF receptor inhibitor with currently unknown off-target profile. Among 7 kinases with high predicted affinity, we experimentally validated 4 new off-targets of tivozanib, namely the Src-family kinases FRK and FYN A, the non-receptor tyrosine kinase ABL1, and the serine/threonine kinase SLK. Our sub-sequent experimental validation protocol effectively avoids any possible information leakage between the training and validation data, and therefore enables rigorous model validation for practical applications. These results demonstrate that the kernel-based modeling approach offers practical benefits for probing novel insights into the mode of action of investigational compounds, and for the identification of new target selectivities for drug repurposing applications. PMID:28787438

Changes in Phenolic Compounds and Phytotoxicity of the Spanish-Style Green Olive Processing Wastewaters by Aspergillus niger B60.

PubMed

Papadaki, Eugenia; Tsimidou, Maria Z; Mantzouridou, Fani Th

2018-05-16

This study systematically investigated the degradation kinetics and changes in the composition of phenolic compounds in Spanish-style Chalkidiki green olive processing wastewaters (TOPWs) during treatment using Aspergillus niger B60. The fungal growth and phenol degradation kinetics were described sufficiently by the Logistic and Edward models, respectively. The maximum specific growth rate (2.626 1/d) and the maximum degradation rate (0.690 1/h) were observed at 1500 mg/L of total polar phenols, indicating the applicability of the process in TOPWs with a high concentration of phenolic compounds. Hydroxytyrosol and the other simple phenols were depleted after 3-8 days. The newly formed secoiridoid derivatives identified by HPLC-DAD-FLD and LC-MS are likely produced by oleoside and oleuropein aglycon via the action of fungal β-glucosidase and esterase. The treated streams were found to be less phytotoxic with reduced chemical oxygen demand by up to 76%. Findings will provide useful information for the subsequent treatment of residual contaminants.

A high-resolution genetic map of yellow monkeyflower identifies chemical defense QTLs and recombination rate variation.

PubMed

Holeski, Liza M; Monnahan, Patrick; Koseva, Boryana; McCool, Nick; Lindroth, Richard L; Kelly, John K

2014-03-13

Genotyping-by-sequencing methods have vastly improved the resolution and accuracy of genetic linkage maps by increasing both the number of marker loci as well as the number of individuals genotyped at these loci. Using restriction-associated DNA sequencing, we construct a dense linkage map for a panel of recombinant inbred lines derived from a cross between divergent ecotypes of Mimulus guttatus. We used this map to estimate recombination rate across the genome and to identify quantitative trait loci for the production of several secondary compounds (PPGs) of the phenylpropanoid pathway implicated in defense against herbivores. Levels of different PPGs are correlated across recombinant inbred lines suggesting joint regulation of the phenylpropanoid pathway. However, the three quantitative trait loci identified in this study each act on a distinct PPG. Finally, we map three putative genomic inversions differentiating the two parental populations, including a previously characterized inversion that contributes to life-history differences between the annual/perennial ecotypes. Copyright © 2014 Holeski et al.

How do homeless adults change their lives after completing an intensive job-skills program? A prospective study.

PubMed

Gray, Heather M; Nelson, Sarah E; Shaffer, Howard J; Stebbins, Patricia; Farina, Andrea Ryan

2017-09-01

Among people experiencing homelessness, difficulty securing housing is often compounded by concurrent challenges including unemployment, chronic illness, criminal justice involvement, and victimization. The Moving Ahead Program (MAP) is a vocational rehabilitation program that seeks to help adults facing these challenges to secure competitive employment. We prospectively studied how MAP graduates (N = 97) changed from the beginning of MAP to about six months after graduation. We observed a variety of positive outcomes not just in employment and housing but also in health, substance use, and criminal justice involvement. However, these gains were not universal; for instance, participants were less likely to report positive outcomes at follow-up if they started MAP with a serious mental illness, made relatively small gains in work skills, or did not seek mental health treatment during the six months after they completed MAP. These findings might encourage program staff to devote additional resources toward supporting at-risk students.

Synchrotron-based FTIR microspectroscopy for the mapping of photo-oxidation and additives in acrylonitrile-butadiene-styrene model samples and historical objects.

PubMed

Saviello, Daniela; Pouyet, Emeline; Toniolo, Lucia; Cotte, Marine; Nevin, Austin

2014-09-16

Synchrotron-based Fourier transform infrared micro-spectroscopy (SR-μFTIR) was used to map photo-oxidative degradation of acrylonitrile-butadiene-styrene (ABS) and to investigate the presence and the migration of additives in historical samples from important Italian design objects. High resolution (3×3 μm(2)) molecular maps were obtained by FTIR microspectroscopy in transmission mode, using a new method for the preparation of polymer thin sections. The depth of photo-oxidation in samples was evaluated and accompanied by the formation of ketones, aldehydes, esters, and unsaturated carbonyl compounds. This study demonstrates selective surface oxidation and a probable passivation of material against further degradation. In polymer fragments from design objects made of ABS from the 1960s, UV-stabilizers were detected and mapped, and microscopic inclusions of proteinaceous material were identified and mapped for the first time. Copyright © 2014 Elsevier B.V. All rights reserved.

Robot Acquisition of Active Maps Through Teleoperation and Vector Space Analysis

NASA Technical Reports Server (NTRS)

Peters, Richard Alan, II

2003-01-01

The work performed under this contract was in the area of intelligent robotics. The problem being studied was the acquisition of intelligent behaviors by a robot. The method was to acquire action maps that describe tasks as sequences of reflexive behaviors. Action maps (a.k.a. topological maps) are graphs whose nodes represent sensorimotor states and whose edges represent the motor actions that cause the robot to proceed from one state to the next. The maps were acquired by the robot after being teleoperated or otherwise guided by a person through a task several times. During a guided task, the robot records all its sensorimotor signals. The signals from several task trials are partitioned into episodes of static behavior. The corresponding episodes from each trial are averaged to produce a task description as a sequence of characteristic episodes. The sensorimotor states that indicate episode boundaries become the nodes, and the static behaviors, the edges. It was demonstrated that if compound maps are constructed from a set of tasks then the robot can perform new tasks in which it was never explicitly trained.

Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.

PubMed

Kaieda, Akira; Takahashi, Masashi; Takai, Takafumi; Goto, Masayuki; Miyazaki, Takahiro; Hori, Yuri; Unno, Satoko; Kawamoto, Tomohiro; Tanaka, Toshimasa; Itono, Sachiko; Takagi, Terufumi; Hamada, Teruki; Shirasaki, Mikio; Okada, Kengo; Snell, Gyorgy; Bragstad, Ken; Sang, Bi-Ching; Uchikawa, Osamu; Miwatashi, Seiji

2018-02-01

We identified novel potent inhibitors of p38 MAP kinase using structure-based design strategy. X-ray crystallography showed that when p38 MAP kinase is complexed with TAK-715 (1) in a co-crystal structure, Phe169 adopts two conformations, where one interacts with 1 and the other shows no interaction with 1. Our structure-based design strategy shows that these two conformations converge into one via enhanced protein-ligand hydrophobic interactions. According to the strategy, we focused on scaffold transformation to identify imidazo[1,2-b]pyridazine derivatives as potent inhibitors of p38 MAP kinase. Among the herein described and evaluated compounds, N-oxide 16 exhibited potent inhibition of p38 MAP kinase and LPS-induced TNF-α production in human monocytic THP-1 cells, and significant in vivo efficacy in rat collagen-induced arthritis models. In this article, we report the discovery of potent, selective and orally bioavailable imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors with pyridine N-oxide group. Copyright © 2018 Elsevier Ltd. All rights reserved.

An innovative strategy for dual inhibitor design and its application in dual inhibition of human thymidylate synthase and dihydrofolate reductase enzymes.

PubMed

Arooj, Mahreen; Sakkiah, Sugunadevi; Cao, Guang ping; Lee, Keun Woo

2013-01-01

Due to the diligence of inherent redundancy and robustness in many biological networks and pathways, multitarget inhibitors present a new prospect in the pharmaceutical industry for treatment of complex diseases. Nevertheless, to design multitarget inhibitors is concurrently a great challenge for medicinal chemists. We have developed a novel computational approach by integrating the affinity predictions from structure-based virtual screening with dual ligand-based pharmacophore to discover potential dual inhibitors of human Thymidylate synthase (hTS) and human dihydrofolate reductase (hDHFR). These are the key enzymes in folate metabolic pathway that is necessary for the biosynthesis of RNA, DNA, and protein. Their inhibition has found clinical utility as antitumor, antimicrobial, and antiprotozoal agents. A druglike database was utilized to perform dual-target docking studies. Hits identified through docking experiments were mapped over a dual pharmacophore which was developed from experimentally known dual inhibitors of hTS and hDHFR. Pharmacophore mapping procedure helped us in eliminating the compounds which do not possess basic chemical features necessary for dual inhibition. Finally, three structurally diverse hit compounds that showed key interactions at both active sites, mapped well upon the dual pharmacophore, and exhibited lowest binding energies were regarded as possible dual inhibitors of hTS and hDHFR. Furthermore, optimization studies were performed for final dual hit compound and eight optimized dual hits demonstrating excellent binding features at target systems were also regarded as possible dual inhibitors of hTS and hDHFR. In general, the strategy used in the current study could be a promising computational approach and may be generally applicable to other dual target drug designs.

An Innovative Strategy for Dual Inhibitor Design and Its Application in Dual Inhibition of Human Thymidylate Synthase and Dihydrofolate Reductase Enzymes

PubMed Central

Arooj, Mahreen; Sakkiah, Sugunadevi; Cao, Guang ping; Lee, Keun Woo

2013-01-01

Due to the diligence of inherent redundancy and robustness in many biological networks and pathways, multitarget inhibitors present a new prospect in the pharmaceutical industry for treatment of complex diseases. Nevertheless, to design multitarget inhibitors is concurrently a great challenge for medicinal chemists. We have developed a novel computational approach by integrating the affinity predictions from structure-based virtual screening with dual ligand-based pharmacophore to discover potential dual inhibitors of human Thymidylate synthase (hTS) and human dihydrofolate reductase (hDHFR). These are the key enzymes in folate metabolic pathway that is necessary for the biosynthesis of RNA, DNA, and protein. Their inhibition has found clinical utility as antitumor, antimicrobial, and antiprotozoal agents. A druglike database was utilized to perform dual-target docking studies. Hits identified through docking experiments were mapped over a dual pharmacophore which was developed from experimentally known dual inhibitors of hTS and hDHFR. Pharmacophore mapping procedure helped us in eliminating the compounds which do not possess basic chemical features necessary for dual inhibition. Finally, three structurally diverse hit compounds that showed key interactions at both active sites, mapped well upon the dual pharmacophore, and exhibited lowest binding energies were regarded as possible dual inhibitors of hTS and hDHFR. Furthermore, optimization studies were performed for final dual hit compound and eight optimized dual hits demonstrating excellent binding features at target systems were also regarded as possible dual inhibitors of hTS and hDHFR. In general, the strategy used in the current study could be a promising computational approach and may be generally applicable to other dual target drug designs. PMID:23577115

Genetic Analysis of Strawberry Fruit Aroma and Identification of O-Methyltransferase FaOMT as the Locus Controlling Natural Variation in Mesifurane Content1[C][W][OA

PubMed Central

Zorrilla-Fontanesi, Yasmín; Rambla, José-Luis; Cabeza, Amalia; Medina, Juan J.; Sánchez-Sevilla, José F.; Valpuesta, Victoriano; Botella, Miguel A.; Granell, Antonio; Amaya, Iraida

2012-01-01

Improvement of strawberry (Fragaria × ananassa) fruit flavor is an important goal in breeding programs. To investigate genetic factors controlling this complex trait, a strawberry mapping population derived from genotype ‘1392’, selected for its superior flavor, and ‘232’ was profiled for volatile compounds over 4 years by headspace solid phase microextraction coupled to gas chromatography and mass spectrometry. More than 300 volatile compounds were detected, of which 87 were identified by comparison of mass spectrum and retention time to those of pure standards. Parental line ‘1392’ displayed higher volatile levels than ‘232’, and these and many other compounds with similar levels in both parents segregated in the progeny. Cluster analysis grouped the volatiles into distinct chemically related families and revealed a complex metabolic network underlying volatile production in strawberry fruit. Quantitative trait loci (QTL) detection was carried out over 3 years based on a double pseudo-testcross strategy. Seventy QTLs covering 48 different volatiles were detected, with several of them being stable over time and mapped as major QTLs. Loci controlling γ-decalactone and mesifurane content were mapped as qualitative traits. Using a candidate gene approach we have assigned genes that are likely responsible for several of the QTLs. As a proof of concept we show that one homoeolog of the O-methyltransferase gene (FaOMT) is the locus responsible for the natural variation of mesifurane content. Sequence analysis identified 30 bp in the promoter of this FaOMT homoeolog containing putative binding sites for basic/helix-loop-helix, MYB, and BZIP transcription factors. This polymorphism fully cosegregates with both the presence of mesifurane and the high expression of FaOMT during ripening. PMID:22474217

Community mapping and respondent-driven sampling of gay and bisexual men’s communities in Vancouver, Canada

PubMed Central

Forrest, Jamie I; Stevenson, Benjamin; Rich, Ashleigh; Michelow, Warren; Pai, Jayaram; Jollimore, Jody; Raymond, H. Fisher; Moore, David; Hogg, Robert S; Roth, Eric A

2014-01-01

Literature suggests formative research is vital for those using respondent-driven sampling (RDS) to study hidden populations of interest. However, few authors have described in detail how different qualitative methodologies can address the objectives of formative research for understanding the social network properties of the study population, selecting seeds, and adapting survey logistics to best fit the population. In this paper we describe the use of community mapping exercises as a tool within focus groups to collect data on social and sexual network characteristics of gay and bisexual men in the metropolitan area of Vancouver, Canada. Three key themes emerged from analyzing community maps along with other formative research data: (a) connections between physical spaces and social networks of gay and bisexual men, (b) diversity in communities, and (c) substance use connected with formation of sub-communities. We discuss how these themes informed the planning and operations of a longitudinal epidemiological cohort study recruited by RDS. We argue that using community mapping within formative research is a valuable qualitative tool for characterizing network structures of a diverse and differentiated population of gay and bisexual men in a highly developed urban setting. PMID:24512070

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

Karabacak, Özkan, E-mail: ozkan2917@gmail.com; Department of Electronic Systems, Aalborg University, 9220 Aalborg East; Alikoç, Baran, E-mail: alikoc@itu.edu.tr

Motivated by the chaos suppression methods based on stabilizing an unstable periodic orbit, we study the stability of synchronized periodic orbits of coupled map systems when the period of the orbit is the same as the delay in the information transmission between coupled units. We show that the stability region of a synchronized periodic orbit is determined by the Floquet multiplier of the periodic orbit for the uncoupled map, the coupling constant, the smallest and the largest Laplacian eigenvalue of the adjacency matrix. We prove that the stabilization of an unstable τ-periodic orbit via coupling with delay τ is possiblemore » only when the Floquet multiplier of the orbit is negative and the connection structure is not bipartite. For a given coupling structure, it is possible to find the values of the coupling strength that stabilizes unstable periodic orbits. The most suitable connection topology for stabilization is found to be the all-to-all coupling. On the other hand, a negative coupling constant may lead to destabilization of τ-periodic orbits that are stable for the uncoupled map. We provide examples of coupled logistic maps demonstrating the stabilization and destabilization of synchronized τ-periodic orbits as well as chaos suppression via stabilization of a synchronized τ-periodic orbit.« less

Image encryption algorithm based on multiple mixed hash functions and cyclic shift

NASA Astrophysics Data System (ADS)

Wang, Xingyuan; Zhu, Xiaoqiang; Wu, Xiangjun; Zhang, Yingqian

2018-08-01

This paper proposes a new one-time pad scheme for chaotic image encryption that is based on the multiple mixed hash functions and the cyclic-shift function. The initial value is generated using both information of the plaintext image and the chaotic sequences, which are calculated from the SHA1 and MD5 hash algorithms. The scrambling sequences are generated by the nonlinear equations and logistic map. This paper aims to improve the deficiencies of traditional Baptista algorithms and its improved algorithms. We employ the cyclic-shift function and piece-wise linear chaotic maps (PWLCM), which give each shift number the characteristics of chaos, to diffuse the image. Experimental results and security analysis show that the new scheme has better security and can resist common attacks.

High-resolution x-ray absorption spectroscopy studies of metal compounds in neurodegenerative brain tissue

NASA Astrophysics Data System (ADS)

Collingwood, J. F.; Mikhaylova, A.; Davidson, M. R.; Batich, C.; Streit, W. J.; Eskin, T.; Terry, J.; Barrea, R.; Underhill, R. S.; Dobson, J.

2005-01-01

Fluorescence mapping and microfocus X-ray absorption spectroscopy are used to detect, locate and identify iron biominerals and other inorganic metal accumulations in neurodegenerative brain tissue at sub-cellular resolution (<5 microns). Recent progress in developing the technique is reviewed. Synchrotron X-rays are used to map tissue sections for metals of interest, and XANES and XAFS are used to characterise anomalous concentrations of the metals in-situ so that they can be correlated with tissue structures and disease pathology. Iron anomalies associated with biogenic magnetite, ferritin and haemoglobin are located and identified in an avian tissue model with a pixel resolution ~5 microns. Subsequent studies include brain tissue sections from transgenic Huntington's mice, and the first high-resolution mapping and identification of iron biominerals in human Alzheimer's and control autopsy brain tissue. Technical developments include use of microfocus diffraction to obtain structural information about biominerals in-situ, and depositing sample location grids by lithography for the location of anomalies by conventional microscopy. The combined techniques provide a breakthrough in the study of both intra- and extra-cellular iron compounds and related metals in tissue. The information to be gained from this approach has implications for future diagnosis and treatment of neurodegeneration, and for our understanding of the mechanisms involved.

Mapping magnetoelastic response of terfenol-D ring structure

NASA Astrophysics Data System (ADS)

Youssef, George; Newacheck, Scott; Lopez, Mario

2017-05-01

The magneto-elastic response of a Terfenol-D (Tb.3Dy.7Fe1.92) ring has been experimentally investigated and analyzed. Ring structures give rise to complex behavior based on the interaction of the magnetic field with the material, which is further compounded with anisotropies associated with mechanical and magnetic properties. Discrete strain measurements were used to construct magnetostriction maps, which are used to elucidate the non-uniformity of the strain distribution due to geometrical factors and magnetic field interactions, namely, magnetic shielding and stable onion state in the ring structure.

High-Throughput Screening based Identification of Small Molecule Antagonists of Integrin CD11b/CD18 Ligand Binding

PubMed Central

Faridi, Mohd Hafeez; Maiguel, Dony; Brown, Brock T.; Suyama, Eigo; Barth, Constantinos J.; Hedrick, Michael; Vasile, Stefan; Sergienko, Eduard; Schürer, Stephan; Gupta, Vineet

2010-01-01

Binding of leukocyte specific integrin CD11b/CD18 to its physiologic ligands is important for the development of normal immune response in vivo. Integrin CD11b/CD18 is also a key cellular effector of various inflammatory and autoimmune diseases. However, small molecules selectively inhibiting the function of integrin CD11b/CD18 are currently lacking. We used a newly described cell-based high throughput screening assay to identify a number of highly potent antagonists of integrin CD11b/CD18 from chemical libraries containing >100,000 unique compounds. Computational analyses suggest that the identified compounds cluster into several different chemical classes. A number of the newly identified compounds blocked adhesion of wild-type mouse neutrophils to CD11b/CD18 ligand fibrinogen. Mapping the most active compounds against chemical fingerprints of known antagonists of related integrin CD11a/CD18 shows little structural similarity, suggesting that the newly identified compounds are novel and unique. PMID:20188705

Genetic dissection of the (poly)phenol profile of diploid strawberry (Fragaria vesca) fruits using a NIL collection.

PubMed

Urrutia, Maria; Schwab, Wilfried; Hoffmann, Thomas; Monfort, Amparo

2016-01-01

Over the last few years, diploid strawberry (Fragaria vesca) has been recognized as a model species for applied research of cultivated strawberry (Fragaria × ananassa) that is one of the most economically important crops. Berries, particularly strawberries, are known for their high antioxidant capacity due to a high concentration of (poly) phenolic compounds. Studies have already characterized the phenolic composition of fruits from sets of cultivated strawberries but the quantification of phenolics in a Fragaria mapping population has not been reported, yet. The metabolite profiling of a F. vesca near isogenic line (NIL) collection by LC-MS allowed the unambiguous identification of 22 (poly)-phenols, including anthocyanins, flavonols, flavan-3-ols, flavanones, hydroxycinnamic acid derivatives, and ellagic acid in the diploid strawberry fruit. The variability in the collection revealed that the genetic factor was more decisive than the environmental factor for the accumulation of 18 of the 24 compounds. Genotyping the NIL collection with the Axiom® IStraw90® SNPs array, we were able to map 76 stable QTLs controlling accumulation of the (poly)-phenolic compounds. They provide a powerful new tool to characterise candidate genes to increase the antioxidant capacity of fruits and produce healthier strawberries for consumers. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

MASS SPECTROMETRY IMAGING FOR DRUGS AND METABOLITES

PubMed Central

Greer, Tyler; Sturm, Robert; Li, Lingjun

2011-01-01

Mass spectrometric imaging (MSI) is a powerful analytical technique that provides two- and three-dimensional spatial maps of multiple compounds in a single experiment. This technique has been routinely applied to protein, peptide, and lipid molecules with much less research reporting small molecule distributions, especially pharmaceutical drugs. This review’s main focus is to provide readers with an up-to-date description of the substrates and compounds that have been analyzed for drug and metabolite composition using MSI technology. Additionally, ionization techniques, sample preparation, and instrumentation developments are discussed. PMID:21515430

Sensitivity to initial conditions in the Bak-Sneppen model of biological evolution

NASA Astrophysics Data System (ADS)

Tamarit, F. A.; Cannas, S. A.; Tsallis, C.

1998-03-01

We consider biological evolution as described within the Bak and Sneppen 1993 model. We exhibit, at the self-organized critical state, a power-law sensitivity to the initial conditions, calculate the associated exponent, and relate it to the recently introduced nonextensive thermostatistics. The scenario which here emerges without tuning strongly reminds of that of the tuned onset of chaos in say logistic-like one-dimensional maps. We also calculate the dynamical exponent z.

An Integration, Long Range Planning, and Migration Guide for the Stock Point Logistics Integrated Communications Project.

DTIC Science & Technology

1986-03-01

and universal terminal/printer interface mapping ( TMAP ) software. When the Burroughs HYPERchannel software package (i.e., Burroughs NETEX) provided...and terminal device and security functions placed under the control of the FDC’s SAS/ TMAP processes. Without processing efficiency enhancements, TAPS...FDC’s SAS/ TMAP processes. As was also previously indicated, the performance of TAPS II on TANDEM is poor today, and there are questions as whether

The implementation of rare events logistic regression to predict the distribution of mesophotic hard corals across the main Hawaiian Islands.

PubMed

Veazey, Lindsay M; Franklin, Erik C; Kelley, Christopher; Rooney, John; Frazer, L Neil; Toonen, Robert J

2016-01-01

Predictive habitat suitability models are powerful tools for cost-effective, statistically robust assessment of the environmental drivers of species distributions. The aim of this study was to develop predictive habitat suitability models for two genera of scleractinian corals (Leptoserisand Montipora) found within the mesophotic zone across the main Hawaiian Islands. The mesophotic zone (30-180 m) is challenging to reach, and therefore historically understudied, because it falls between the maximum limit of SCUBA divers and the minimum typical working depth of submersible vehicles. Here, we implement a logistic regression with rare events corrections to account for the scarcity of presence observations within the dataset. These corrections reduced the coefficient error and improved overall prediction success (73.6% and 74.3%) for both original regression models. The final models included depth, rugosity, slope, mean current velocity, and wave height as the best environmental covariates for predicting the occurrence of the two genera in the mesophotic zone. Using an objectively selected theta ("presence") threshold, the predicted presence probability values (average of 0.051 for Leptoseris and 0.040 for Montipora) were translated to spatially-explicit habitat suitability maps of the main Hawaiian Islands at 25 m grid cell resolution. Our maps are the first of their kind to use extant presence and absence data to examine the habitat preferences of these two dominant mesophotic coral genera across Hawai'i.

Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity.

PubMed

Szczepankiewicz, Bruce G; Kosogof, Christi; Nelson, Lissa T J; Liu, Gang; Liu, Bo; Zhao, Hongyu; Serby, Michael D; Xin, Zhili; Liu, Mei; Gum, Rebecca J; Haasch, Deanna L; Wang, Sanyi; Clampit, Jill E; Johnson, Eric F; Lubben, Thomas H; Stashko, Michael A; Olejniczak, Edward T; Sun, Chaohong; Dorwin, Sarah A; Haskins, Kristi; Abad-Zapatero, Cele; Fry, Elizabeth H; Hutchins, Charles W; Sham, Hing L; Rondinone, Cristina M; Trevillyan, James M

2006-06-15

The c-Jun N-terminal kinases (JNK-1, -2, and -3) are members of the mitogen activated protein (MAP) kinase family of enzymes. They are activated in response to certain cytokines, as well as by cellular stresses including chemotoxins, peroxides, and irradiation. They have been implicated in the pathology of a variety of different diseases with an inflammatory component including asthma, stroke, Alzheimer's disease, and type 2 diabetes mellitus. In this work, high-throughput screening identified a JNK inhibitor with an excellent kinase selectivity profile. Using X-ray crystallography and biochemical screening to guide our lead optimization, we prepared compounds with inhibitory potencies in the low-double-digit nanomolar range, activity in whole cells, and pharmacokinetics suitable for in vivo use. The new compounds were over 1,000-fold selective for JNK-1 and -2 over other MAP kinases including ERK2, p38alpha, and p38delta and showed little inhibitory activity against a panel of 74 kinases.

Pyrylium Salts as Reactive Matrices for MALDI-MS Imaging of Biologically Active Primary Amines

NASA Astrophysics Data System (ADS)

Shariatgorji, Mohammadreza; Nilsson, Anna; Källback, Patrik; Karlsson, Oskar; Zhang, Xiaoqun; Svenningsson, Per; Andren, Per E.

2015-06-01

Many neuroactive substances, including endogenous biomolecules, environmental compounds, and pharmaceuticals possess primary amine functional groups. Among these are catecholamine neurotransmitters (e.g., dopamine), many substituted phenethylamines (e.g., amphetamine), as well as amino acids and neuropeptides. In most cases, mass spectrometric (ESI and MALDI) analyses of trace amounts of such compounds are challenging because of their poor ionization properties. We present a method for chemical derivatization of primary amines by reaction with pyrylium salts that facilitates their detection by MALDI-MS and enables the imaging of primary amines in brain tissue sections. A screen of pyrylium salts revealed that the 2,4-diphenyl-pyranylium ion efficiently derivatizes primary amines and can be used as a reactive MALDI-MS matrix that induces both derivatization and desorption. MALDI-MS imaging with such matrix was used to map the localization of dopamine and amphetamine in brain tissue sections and to quantitatively map the distribution of the neurotoxin β- N-methylamino-L-alanine.

Antimicrobial Properties of Plant Essential Oils against Human Pathogens and Their Mode of Action: An Updated Review

PubMed Central

2016-01-01

A wide range of medicinal and aromatic plants (MAPs) have been explored for their essential oils in the past few decades. Essential oils are complex volatile compounds, synthesized naturally in different plant parts during the process of secondary metabolism. Essential oils have great potential in the field of biomedicine as they effectively destroy several bacterial, fungal, and viral pathogens. The presence of different types of aldehydes, phenolics, terpenes, and other antimicrobial compounds means that the essential oils are effective against a diverse range of pathogens. The reactivity of essential oil depends upon the nature, composition, and orientation of its functional groups. The aim of this article is to review the antimicrobial potential of essential oils secreted from MAPs and their possible mechanisms of action against human pathogens. This comprehensive review will benefit researchers who wish to explore the potential of essential oils in the development of novel broad-spectrum key molecules against a broad range of drug-resistant pathogenic microbes. PMID:28090211

The multi-copy simultaneous search methodology: a fundamental tool for structure-based drug design.

PubMed

Schubert, Christian R; Stultz, Collin M

2009-08-01

Fragment-based ligand design approaches, such as the multi-copy simultaneous search (MCSS) methodology, have proven to be useful tools in the search for novel therapeutic compounds that bind pre-specified targets of known structure. MCSS offers a variety of advantages over more traditional high-throughput screening methods, and has been applied successfully to challenging targets. The methodology is quite general and can be used to construct functionality maps for proteins, DNA, and RNA. In this review, we describe the main aspects of the MCSS method and outline the general use of the methodology as a fundamental tool to guide the design of de novo lead compounds. We focus our discussion on the evaluation of MCSS results and the incorporation of protein flexibility into the methodology. In addition, we demonstrate on several specific examples how the information arising from the MCSS functionality maps has been successfully used to predict ligand binding to protein targets and RNA.

Supervised extensions of chemography approaches: case studies of chemical liabilities assessment

PubMed Central

2014-01-01

Chemical liabilities, such as adverse effects and toxicity, play a significant role in modern drug discovery process. In silico assessment of chemical liabilities is an important step aimed to reduce costs and animal testing by complementing or replacing in vitro and in vivo experiments. Herein, we propose an approach combining several classification and chemography methods to be able to predict chemical liabilities and to interpret obtained results in the context of impact of structural changes of compounds on their pharmacological profile. To our knowledge for the first time, the supervised extension of Generative Topographic Mapping is proposed as an effective new chemography method. New approach for mapping new data using supervised Isomap without re-building models from the scratch has been proposed. Two approaches for estimation of model’s applicability domain are used in our study to our knowledge for the first time in chemoinformatics. The structural alerts responsible for the negative characteristics of pharmacological profile of chemical compounds has been found as a result of model interpretation. PMID:24868246

Stakeholder engagement in quattro helix model for mobile phone reverse logistics in Indonesia: a conceptual framework

NASA Astrophysics Data System (ADS)

Maheswari, H.; Yudoko, G.; Adhiutama, A.

2017-12-01

The number of e-waste from mobile phone industry is still dominating until now. This is happened because there is no mutual commitment from all of parties i.e. businesses, government, and societies to reduce the use of mobile phone that has the shortest product life cycle. There are many researches study about firms’ motivation and government’s role, other discuss about actions of communities in supporting reverse logistics implementation. Unfortunately, research about engagement mechanism that involving all parties is still rare. Therefore, it is important to find the engagement model through this conceptual paper and it is expected useful to build the novel model. Through literature review, the results of this research are establishing the Quattro helix model as the appropriate structure to build the robust team by exploring stakeholder theories; mapping the engagement model either in form of collaboration or participation that consider stakeholders’ role and motivation and finding six types of engagement that consider their interest; and determining the novel model of engagement through Quattro helix model for implementing reverse logistics in handling e-waste by describing the linkage and the gaps among existing model.

Classification of Effective Soil Depth by Using Multinomial Logistic Regression Analysis

NASA Astrophysics Data System (ADS)

Chang, C. H.; Chan, H. C.; Chen, B. A.

2016-12-01

Classification of effective soil depth is a task of determining the slopeland utilizable limitation in Taiwan. The "Slopeland Conservation and Utilization Act" categorizes the slopeland into agriculture and husbandry land, land suitable for forestry and land for enhanced conservation according to the factors including average slope, effective soil depth, soil erosion and parental rock. However, sit investigation of the effective soil depth requires a cost-effective field work. This research aimed to classify the effective soil depth by using multinomial logistic regression with the environmental factors. The Wen-Shui Watershed located at the central Taiwan was selected as the study areas. The analysis of multinomial logistic regression is performed by the assistance of a Geographic Information Systems (GIS). The effective soil depth was categorized into four levels including deeper, deep, shallow and shallower. The environmental factors of slope, aspect, digital elevation model (DEM), curvature and normalized difference vegetation index (NDVI) were selected for classifying the soil depth. An Error Matrix was then used to assess the model accuracy. The results showed an overall accuracy of 75%. At the end, a map of effective soil depth was produced to help planners and decision makers in determining the slopeland utilizable limitation in the study areas.

NEW FRONTIERS IN DRUGGABILITY

PubMed Central

Kozakov, Dima; Hall, David R.; Napoleon, Raeanne L.; Yueh, Christine; Whitty, Adrian; Vajda, Sandor

2016-01-01

A powerful early approach to evaluating the druggability of proteins involved determining the hit rate in NMR-based screening of a library of small compounds. Here we show that a computational analog of this method, based on mapping proteins using small molecules as probes, can reliably reproduce druggability results from NMR-based screening, and can provide a more meaningful assessment in cases where the two approaches disagree. We apply the method to a large set of proteins. The results show that, because the method is based on the biophysics of binding rather than on empirical parameterization, meaningful information can be gained about classes of proteins and classes of compounds beyond those resembling validated targets and conventionally druglike ligands. In particular, the method identifies targets that, while not druggable by druglike compounds, may become druggable using compound classes such as macrocycles or other large molecules beyond the rule-of-five limit. PMID:26230724

Prevalence of elevated mean arterial pressure and how fitness moderates its association with BMI in youth.

PubMed

Ogunleye, Ayodele A; Sandercock, Gavin R; Voss, Christine; Eisenmann, Joey C; Reed, Katharine

2013-11-01

Cardiorespiratory fitness is known to be cardioprotective and its association with the components of the metabolic syndrome in children is becoming clearer. The aim of the present study was to examine the extent to which cardiorespiratory fitness may offset the weight-related association with mean arterial pressure (MAP) in schoolchildren. Cross-sectional study. Schoolchildren from the East of England, U.K. A total of 5983 (48% females) schoolchildren, 10 to 16 years of age, had height, weight and blood pressure measured by standard procedures and cardiorespiratory fitness assessed by the 20 m shuttle-run test. Participants were classified as fit or unfit using internationally accepted fitness cut-off points; and as normal weight, overweight or obese based on BMI, again using international cut-off points. Age-adjusted ANCOVA was used to determine the main effects and interaction of fitness and BMI on MAP Z-score. Logistic regression models were used to estimate odds ratios of elevated MAP. Prevalence of elevated MAP in schoolchildren was 14.8% overall and 35.7% in those who were obese-unfit. Approximately 21% of participants were overweight and 5% obese, while 23% were classified as unfit. MAP generally increased across BMI categories and was higher in the aerobically unfit participants. Obese-fit males had lower MAP compared with obese-unfit males (P < 0.001); this trend was similar in females (P = 0.05). Increasing fitness level may have a positive impact on the weight-related elevations of MAP seen in obese and overweight schoolchildren.

Dynamic population mapping using mobile phone data.

PubMed

Deville, Pierre; Linard, Catherine; Martin, Samuel; Gilbert, Marius; Stevens, Forrest R; Gaughan, Andrea E; Blondel, Vincent D; Tatem, Andrew J

2014-11-11

During the past few decades, technologies such as remote sensing, geographical information systems, and global positioning systems have transformed the way the distribution of human population is studied and modeled in space and time. However, the mapping of populations remains constrained by the logistics of censuses and surveys. Consequently, spatially detailed changes across scales of days, weeks, or months, or even year to year, are difficult to assess and limit the application of human population maps in situations in which timely information is required, such as disasters, conflicts, or epidemics. Mobile phones (MPs) now have an extremely high penetration rate across the globe, and analyzing the spatiotemporal distribution of MP calls geolocated to the tower level may overcome many limitations of census-based approaches, provided that the use of MP data is properly assessed and calibrated. Using datasets of more than 1 billion MP call records from Portugal and France, we show how spatially and temporarily explicit estimations of population densities can be produced at national scales, and how these estimates compare with outputs produced using alternative human population mapping methods. We also demonstrate how maps of human population changes can be produced over multiple timescales while preserving the anonymity of MP users. With similar data being collected every day by MP network providers across the world, the prospect of being able to map contemporary and changing human population distributions over relatively short intervals exists, paving the way for new applications and a near real-time understanding of patterns and processes in human geography.

Dynamic population mapping using mobile phone data

PubMed Central

Deville, Pierre; Martin, Samuel; Gilbert, Marius; Stevens, Forrest R.; Gaughan, Andrea E.; Blondel, Vincent D.; Tatem, Andrew J.

2014-01-01

During the past few decades, technologies such as remote sensing, geographical information systems, and global positioning systems have transformed the way the distribution of human population is studied and modeled in space and time. However, the mapping of populations remains constrained by the logistics of censuses and surveys. Consequently, spatially detailed changes across scales of days, weeks, or months, or even year to year, are difficult to assess and limit the application of human population maps in situations in which timely information is required, such as disasters, conflicts, or epidemics. Mobile phones (MPs) now have an extremely high penetration rate across the globe, and analyzing the spatiotemporal distribution of MP calls geolocated to the tower level may overcome many limitations of census-based approaches, provided that the use of MP data is properly assessed and calibrated. Using datasets of more than 1 billion MP call records from Portugal and France, we show how spatially and temporarily explicit estimations of population densities can be produced at national scales, and how these estimates compare with outputs produced using alternative human population mapping methods. We also demonstrate how maps of human population changes can be produced over multiple timescales while preserving the anonymity of MP users. With similar data being collected every day by MP network providers across the world, the prospect of being able to map contemporary and changing human population distributions over relatively short intervals exists, paving the way for new applications and a near real-time understanding of patterns and processes in human geography. PMID:25349388

Modeling brook trout presence and absence from landscape variables using four different analytical methods

USGS Publications Warehouse

Steen, Paul J.; Passino-Reader, Dora R.; Wiley, Michael J.

2006-01-01

As a part of the Great Lakes Regional Aquatic Gap Analysis Project, we evaluated methodologies for modeling associations between fish species and habitat characteristics at a landscape scale. To do this, we created brook trout Salvelinus fontinalis presence and absence models based on four different techniques: multiple linear regression, logistic regression, neural networks, and classification trees. The models were tested in two ways: by application to an independent validation database and cross-validation using the training data, and by visual comparison of statewide distribution maps with historically recorded occurrences from the Michigan Fish Atlas. Although differences in the accuracy of our models were slight, the logistic regression model predicted with the least error, followed by multiple regression, then classification trees, then the neural networks. These models will provide natural resource managers a way to identify habitats requiring protection for the conservation of fish species.

Effectively identifying compound-protein interactions by learning from positive and unlabeled examples.

PubMed

Cheng, Zhanzhan; Zhou, Shuigeng; Wang, Yang; Liu, Hui; Guan, Jihong; Chen, Yi-Ping Phoebe

2016-05-18

Prediction of compound-protein interactions (CPIs) is to find new compound-protein pairs where a protein is targeted by at least a compound, which is a crucial step in new drug design. Currently, a number of machine learning based methods have been developed to predict new CPIs in the literature. However, as there is not yet any publicly available set of validated negative CPIs, most existing machine learning based approaches use the unknown interactions (not validated CPIs) selected randomly as the negative examples to train classifiers for predicting new CPIs. Obviously, this is not quite reasonable and unavoidably impacts the CPI prediction performance. In this paper, we simply take the unknown CPIs as unlabeled examples, and propose a new method called PUCPI (the abbreviation of PU learning for Compound-Protein Interaction identification) that employs biased-SVM (Support Vector Machine) to predict CPIs using only positive and unlabeled examples. PU learning is a class of learning methods that leans from positive and unlabeled (PU) samples. To the best of our knowledge, this is the first work that identifies CPIs using only positive and unlabeled examples. We first collect known CPIs as positive examples and then randomly select compound-protein pairs not in the positive set as unlabeled examples. For each CPI/compound-protein pair, we extract protein domains as protein features and compound substructures as chemical features, then take the tensor product of the corresponding compound features and protein features as the feature vector of the CPI/compound-protein pair. After that, biased-SVM is employed to train classifiers on different datasets of CPIs and compound-protein pairs. Experiments over various datasets show that our method outperforms six typical classifiers, including random forest, L1- and L2-regularized logistic regression, naive Bayes, SVM and k-nearest neighbor (kNN), and three types of existing CPI prediction models. Source code, datasets and related documents of PUCPI are available at: http://admis.fudan.edu.cn/projects/pucpi.html.

Geologic map of the Sunnymead 7.5' quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; Matti, Jonathan C.

2001-01-01

a. This Readme; includes in Appendix I, data contained in sun_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced 1:24,000-scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation-name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Marine deposits are in part overlain by local, mostly alluvial fan, deposits and are labeled Qomf. Grain size follows f. Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Deciphering the underlying mechanisms of Diesun Miaofang in traumatic injury from a systems pharmacology perspective

PubMed Central

ZHENG, CHUN-SONG; FU, CHANG-LONG; PAN, CAI-BIN; BAO, HONG-JUAN; CHEN, XING-QIANG; YE, HONG-ZHI; YE, JIN-XIA; WU, GUANG-WEN; LI, XI-HAI; XU, HUI-FENG; XU, XIAO-JIE; LIU, XIAN-XIANG

2015-01-01

Diesun Miaofang (DSMF) is a traditional herbal formula, which has been reported to activate blood, remove stasis, promote qi circulation and relieve pain. DSMF holds a great promise for the treatment of traumatic injury in an integrative and holistic manner. However, its underlying mechanisms remain to be elucidated. In the present study, a systems pharmacology model, which integrated cluster ligands, human intestinal absorption and aqueous solution prediction, chemical space mapping, molecular docking and network pharmacology techniques were used. The compounds from DSMF were diverse in the clusters and chemical space. The majority of the compounds exhibited drug-like properties. A total of 59 compounds were identified to interact with 16 potential targets. In the herb-compound-target network, the majority of compounds acted on only one target; however, a small number of compounds acted on a large number of targets, up to a maximum of 12. The comparison of key topological properties in compound-target networks associated with the above efficacy intuitively demonstrated that potential active compounds possessed diverse functions. These results successfully explained the polypharmcological mechanism underlying the efficiency of DSMF for the treatment of traumatic injury as well as provided insight into potential novel therapeutic strategies for traumatic injury from herbal medicine. PMID:25891262

Bioinformatics-driven discovery of rational combination for overcoming EGFR-mutant lung cancer resistance to EGFR therapy.

PubMed

Kim, Jihye; Vasu, Vihas T; Mishra, Rangnath; Singleton, Katherine R; Yoo, Minjae; Leach, Sonia M; Farias-Hesson, Eveline; Mason, Robert J; Kang, Jaewoo; Ramamoorthy, Preveen; Kern, Jeffrey A; Heasley, Lynn E; Finigan, James H; Tan, Aik Choon

2014-09-01

Non-small-cell lung cancer (NSCLC) is the leading cause of cancer death in the United States. Targeted tyrosine kinase inhibitors (TKIs) directed against the epidermal growth factor receptor (EGFR) have been widely and successfully used in treating NSCLC patients with activating EGFR mutations. Unfortunately, the duration of response is short-lived, and all patients eventually relapse by acquiring resistance mechanisms. We performed an integrative systems biology approach to determine essential kinases that drive EGFR-TKI resistance in cancer cell lines. We used a series of bioinformatics methods to analyze and integrate the functional genetics screen and RNA-seq data to identify a set of kinases that are critical in survival and proliferation in these TKI-resistant lines. By connecting the essential kinases to compounds using a novel kinase connectivity map (K-Map), we identified and validated bosutinib as an effective compound that could inhibit proliferation and induce apoptosis in TKI-resistant lines. A rational combination of bosutinib and gefitinib showed additive and synergistic effects in cancer cell lines resistant to EGFR TKI alone. We have demonstrated a bioinformatics-driven discovery roadmap for drug repurposing and development in overcoming resistance in EGFR-mutant NSCLC, which could be generalized to other cancer types in the era of personalized medicine. K-Map can be accessible at: http://tanlab.ucdenver.edu/kMap. Supplementary data are available at Bioinformatics online. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

The Molecular and Cellular Basis of Taste Coding in the Legs of Drosophila

PubMed Central

Ling, Frederick; Dahanukar, Anupama; Weiss, Linnea A.; Kwon, Jae Young

2014-01-01

To understand the principles of taste coding, it is necessary to understand the functional organization of the taste organs. Although the labellum of the Drosophila melanogaster head has been described in detail, the tarsal segments of the legs, which collectively contain more taste sensilla than the labellum, have received much less attention. We performed a systematic anatomical, physiological, and molecular analysis of the tarsal sensilla of Drosophila. We construct an anatomical map of all five tarsal segments of each female leg. The taste sensilla of the female foreleg are systematically tested with a panel of 40 diverse compounds, yielding a response matrix of ∼500 sensillum–tastant combinations. Six types of sensilla are characterized. One type was tuned remarkably broadly: it responded to 19 of 27 bitter compounds tested, as well as sugars; another type responded to neither. The midleg is similar but distinct from the foreleg. The response specificities of the tarsal sensilla differ from those of the labellum, as do n-dimensional taste spaces constructed for each organ, enhancing the capacity of the fly to encode and respond to gustatory information. We examined the expression patterns of all 68 gustatory receptors (Grs). A total of 28 Gr–GAL4 drivers are expressed in the legs. We constructed a receptor-to-sensillum map of the legs and a receptor-to-neuron map. Fourteen Gr–GAL4 drivers are expressed uniquely in the bitter-sensing neuron of the sensillum that is tuned exceptionally broadly. Integration of the molecular and physiological maps provides insight into the underlying basis of taste coding. PMID:24849350

Mathematical modeling of ethanol production in solid-state fermentation based on solid medium' dry weight variation.

PubMed

Mazaheri, Davood; Shojaosadati, Seyed Abbas; Zamir, Seyed Morteza; Mousavi, Seyyed Mohammad

2018-04-21

In this work, mathematical modeling of ethanol production in solid-state fermentation (SSF) has been done based on the variation in the dry weight of solid medium. This method was previously used for mathematical modeling of enzyme production; however, the model should be modified to predict the production of a volatile compound like ethanol. The experimental results of bioethanol production from the mixture of carob pods and wheat bran by Zymomonas mobilis in SSF were used for the model validation. Exponential and logistic kinetic models were used for modeling the growth of microorganism. In both cases, the model predictions matched well with the experimental results during the exponential growth phase, indicating the good ability of solid medium weight variation method for modeling a volatile product formation in solid-state fermentation. In addition, using logistic model, better predictions were obtained.

sscMap: an extensible Java application for connecting small-molecule drugs using gene-expression signatures.

PubMed

Zhang, Shu-Dong; Gant, Timothy W

2009-07-31

Connectivity mapping is a process to recognize novel pharmacological and toxicological properties in small molecules by comparing their gene expression signatures with others in a database. A simple and robust method for connectivity mapping with increased specificity and sensitivity was recently developed, and its utility demonstrated using experimentally derived gene signatures. This paper introduces sscMap (statistically significant connections' map), a Java application designed to undertake connectivity mapping tasks using the recently published method. The software is bundled with a default collection of reference gene-expression profiles based on the publicly available dataset from the Broad Institute Connectivity Map 02, which includes data from over 7000 Affymetrix microarrays, for over 1000 small-molecule compounds, and 6100 treatment instances in 5 human cell lines. In addition, the application allows users to add their custom collections of reference profiles and is applicable to a wide range of other 'omics technologies. The utility of sscMap is two fold. First, it serves to make statistically significant connections between a user-supplied gene signature and the 6100 core reference profiles based on the Broad Institute expanded dataset. Second, it allows users to apply the same improved method to custom-built reference profiles which can be added to the database for future referencing. The software can be freely downloaded from http://purl.oclc.org/NET/sscMap.

Factors Affecting Quality and Health Promoting Compounds during Growth and Postharvest Life of Sweet Cherry (Prunus avium L.)

PubMed Central

Correia, Sofia; Schouten, Rob; Silva, Ana P.; Gonçalves, Berta

2017-01-01

Sweet cherries are attractive fruits due to their taste, color, nutritional value, and beneficial health effects. Sweet cherry is a highly perishable fruit and all quality attributes and the level of health promoting compounds are affected by growth conditions, picking, packing, transport, and storage. During production, the correct combination of scion × rootstock will produce fruits with higher firmness, weight, sugars, vitamins, and phenolic compounds that boost the fruit antioxidant activity. Orchard management, such as applying drip irrigation and summer pruning, will increase fruit sugar levels and total phenolic content, while application of growth regulators can result in improved storability, increased red coloring, increased fruit size, and reduced cracking. Salicylic acid, oxalic acid, acetylsalicylic acid, and methyl salicylate are promising growth regulators as they also increase total phenolics, anthocyanins, and induce higher activity of antioxidant enzymes. These growth regulators are now also applied as fruit coatings that improve shelf-life with higher antioxidant enzyme activities and total phenolics. Optimizing storage and transport conditions, such as hydro cooling with added CaCl2, chain temperature and relative humidity control, are crucial for slowing down decay of quality attributes and increasing the antioxidant capacity. Application of controlled atmosphere during storage is successful in delaying quality attributes, but lowers ascorbic acid levels. The combination of low temperature storage in combination with modified atmosphere packaging (MAP) is successful in reducing the incidence of fruit decay, while preserving taste attributes and stem color with a higher antioxidant capacity. A new trend in MAP is the use of biodegradable films such as micro-perforated polylactic acid film that combine significant retention of quality attributes, high consumer acceptability, and a reduced environmental footprint. Another trend is to replace MAP with fruit edible coatings. Edible coatings, such as various lipid composite coatings, have advantages in retaining quality attributes and increasing the antioxidant activity (chitosan) and are regarded as approved food additives, although studies regarding consumer acceptance are needed. The recent publication of the sweet cherry genome will likely increase the identification of more candidate genes involved in growing and maintaining health related compounds and quality attributes. PMID:29312407

Chemical landscape analysis with the OpenTox framework.

PubMed

Jeliazkova, Nina; Jeliazkov, Vedrin

2012-01-01

The Structure-Activity Relationships (SAR) landscape and activity cliffs concepts have their origins in medicinal chemistry and receptor-ligand interactions modelling. While intuitive, the definition of an activity cliff as a "pair of structurally similar compounds with large differences in potency" is commonly recognized as ambiguous. This paper proposes a new and efficient method for identifying activity cliffs and visualization of activity landscapes. The activity cliffs definition could be improved to reflect not the cliff steepness alone, but also the rate of the change of the steepness. The method requires explicitly setting similarity and activity difference thresholds, but provides means to explore multiple thresholds and to visualize in a single map how the thresholds affect the activity cliff identification. The identification of the activity cliffs is addressed by reformulating the problem as a statistical one, by introducing a probabilistic measure, namely, calculating the likelihood of a compound having large activity difference compared to other compounds, while being highly similar to them. The likelihood is effectively a quantification of a SAS Map with defined thresholds. Calculating the likelihood relies on four counts only, and does not require the pairwise matrix storage. This is a significant advantage, especially when processing large datasets. The method generates a list of individual compounds, ranked according to the likelihood of their involvement in the formation of activity cliffs, and goes beyond characterizing cliffs by structure pairs only. The visualisation is implemented by considering the activity plane fixed and analysing the irregularities of the similarity itself. It provides a convenient analogy to a topographic map and may help identifying the most appropriate similarity representation for each specific SAR space. The proposed method has been applied to several datasets, representing different biological activities. Finally, the method is implemented as part of an existing open source Ambit package and could be accessed via an OpenTox API compliant web service and via an interactive application, running within a modern, JavaScript enabled web browser. Combined with the functionalities already offered by the OpenTox framework, like data sharing and remote calculations, it could be a useful tool for exploring chemical landscapes online.

Understanding critical factors for the quality and shelf-life of MAP fresh meat: a review.

PubMed

Singh, Preeti; Wani, Ali Abas; Saengerlaub, Sven; Langowski, Horst-Christian

2011-02-01

Due to increased demands for greater stringency in relation to hygiene and safety issues associated with fresh food products, coupled with ever-increasing demands by retailers for cost-effective extensions to product shelf-lives and the requirement to meet consumer expectations in relation to convenience and quality, the food packaging industry has rapidly developed to meet and satisfy expectations. One of the areas of research that has shown promise, and had success, is modified atmosphere packaging (MAP). The success of MAP-fresh meat depends on many factors including good initial product quality, good hygiene from the source plants, correct packaging material selection, the appropriate gas mix for the product, reliable packaging equipment, and maintenance of controlled temperatures and humidity levels. Advances in plastic materials and equipment have propelled advances in MAP, but other technological and logistical considerations are needed for successful MAP systems for raw chilled meat. Although several parameters critical for the quality of MA packed meat have been studied and each found to be crucial, understanding of the interactions between the parameters is needed. This review was undertaken to present the most comprehensive and current overview of the widely available, scattered information about the various integrated critical factors responsible for the quality and shelf life of MA packed meat with an interest to stimulate further research to optimize different quality parameters.

Analysis of training sample selection strategies for regression-based quantitative landslide susceptibility mapping methods

NASA Astrophysics Data System (ADS)

Erener, Arzu; Sivas, A. Abdullah; Selcuk-Kestel, A. Sevtap; Düzgün, H. Sebnem

2017-07-01

All of the quantitative landslide susceptibility mapping (QLSM) methods requires two basic data types, namely, landslide inventory and factors that influence landslide occurrence (landslide influencing factors, LIF). Depending on type of landslides, nature of triggers and LIF, accuracy of the QLSM methods differs. Moreover, how to balance the number of 0 (nonoccurrence) and 1 (occurrence) in the training set obtained from the landslide inventory and how to select which one of the 1's and 0's to be included in QLSM models play critical role in the accuracy of the QLSM. Although performance of various QLSM methods is largely investigated in the literature, the challenge of training set construction is not adequately investigated for the QLSM methods. In order to tackle this challenge, in this study three different training set selection strategies along with the original data set is used for testing the performance of three different regression methods namely Logistic Regression (LR), Bayesian Logistic Regression (BLR) and Fuzzy Logistic Regression (FLR). The first sampling strategy is proportional random sampling (PRS), which takes into account a weighted selection of landslide occurrences in the sample set. The second method, namely non-selective nearby sampling (NNS), includes randomly selected sites and their surrounding neighboring points at certain preselected distances to include the impact of clustering. Selective nearby sampling (SNS) is the third method, which concentrates on the group of 1's and their surrounding neighborhood. A randomly selected group of landslide sites and their neighborhood are considered in the analyses similar to NNS parameters. It is found that LR-PRS, FLR-PRS and BLR-Whole Data set-ups, with order, yield the best fits among the other alternatives. The results indicate that in QLSM based on regression models, avoidance of spatial correlation in the data set is critical for the model's performance.

Retrospective analysis of Bluetongue farm risk profile definition, based on biology, farm management practices and climatic data.

PubMed

Cappai, Stefano; Loi, Federica; Coccollone, Annamaria; Contu, Marino; Capece, Paolo; Fiori, Michele; Canu, Simona; Foxi, Cipriano; Rolesu, Sandro

2018-07-01

Bluetongue (BT) is a vector-borne disease transmitted by species of Culicoides midges (Diptera: Ceratopogonidae). Many studies have contributed to clarifying various aspects of its aetiology, epidemiology and vector dynamic; however, BT remains a disease of epidemiological and economic importance that affects ruminants worldwide. Since 2000, the Sardinia region has been the most affected area of the Mediterranean basin. The region is characterised by wide pastoral areas for sheep and represents the most likely candidate region for the study of Bluetongue virus (BTV) distribution and prevalence in Italy. Furthermore, specific information on the farm level and epidemiological studies needs to be provided to increase the knowledge on the disease's spread and to provide valid mitigation strategies in Sardinia. This study conducted a punctual investigation into the spatial patterns of BTV transmission to define a risk profile for all Sardinian farmsby using a logistic multilevel mixed model that take into account agro-meteorological aspects, as well as farm characteristics and management. Data about animal density (i.e. sheep, goats and cattle), vaccination, previous outbreaks, altitude, land use, rainfall, evapotranspiration, water surface, and farm management practices (i.e. use of repellents, treatment against insect vectors, storage of animals in shelter overnight, cleaning, presence of mud and manure) were collected for 12,277 farms for the years 2011-2015. The logistic multilevel mixed model showed the fundamental role of climatic factors in disease development and the protective role of good management, vaccination, outbreak in the previous year and altitude. Regional BTV risk maps were developed, based on the predictor values of logistic model results, and updated every 10 days. These maps were used to identify, 20 days in advance, the areas at highest risk. The risk farm profile, as defined by the model, would provide specific information about the role of each factor for all Sardinian institutions involved in devising BT prevention and control strategies. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

Can Mapping Algorithms Based on Raw Scores Overestimate QALYs Gained by Treatment? A Comparison of Mappings Between the Roland-Morris Disability Questionnaire and the EQ-5D-3L Based on Raw and Differenced Score Data.

PubMed

Madan, Jason; Khan, Kamran A; Petrou, Stavros; Lamb, Sarah E

2017-05-01

Mapping algorithms are increasingly being used to predict health-utility values based on responses or scores from non-preference-based measures, thereby informing economic evaluations. We explored whether predictions in the EuroQol 5-dimension 3-level instrument (EQ-5D-3L) health-utility gains from mapping algorithms might differ if estimated using differenced versus raw scores, using the Roland-Morris Disability Questionnaire (RMQ), a widely used health status measure for low back pain, as an example. We estimated algorithms mapping within-person changes in RMQ scores to changes in EQ-5D-3L health utilities using data from two clinical trials with repeated observations. We also used logistic regression models to estimate response mapping algorithms from these data to predict within-person changes in responses to each EQ-5D-3L dimension from changes in RMQ scores. Predicted health-utility gains from these mappings were compared with predictions based on raw RMQ data. Using differenced scores reduced the predicted health-utility gain from a unit decrease in RMQ score from 0.037 (standard error [SE] 0.001) to 0.020 (SE 0.002). Analysis of response mapping data suggests that the use of differenced data reduces the predicted impact of reducing RMQ scores across EQ-5D-3L dimensions and that patients can experience health-utility gains on the EQ-5D-3L 'usual activity' dimension independent from improvements captured by the RMQ. Mappings based on raw RMQ data overestimate the EQ-5D-3L health utility gains from interventions that reduce RMQ scores. Where possible, mapping algorithms should reflect within-person changes in health outcome and be estimated from datasets containing repeated observations if they are to be used to estimate incremental health-utility gains.

Arctic Research Mapping Application (ARMAP): 2D Maps and 3D Globes Support Arctic Science

NASA Astrophysics Data System (ADS)

Johnson, G.; Gaylord, A. G.; Brady, J. J.; Cody, R. P.; Aguilar, J. A.; Dover, M.; Garcia-Lavigne, D.; Manley, W.; Score, R.; Tweedie, C. E.

2007-12-01

The Arctic Research Mapping Application (ARMAP) is a suite of online services to provide support of Arctic science. These services include: a text based online search utility, 2D Internet Map Server (IMS); 3D globes and Open Geospatial Consortium (OGC) Web Map Services (WMS). With ARMAP's 2D maps and 3D globes, users can navigate to areas of interest, view a variety of map layers, and explore U.S. Federally funded research projects. Projects can be queried by location, year, funding program, discipline, and keyword. Links take you to specific information and other web sites associated with a particular research project. The Arctic Research Logistics Support Service (ARLSS) database is the foundation of ARMAP including US research funded by the National Science Foundation, National Aeronautics and Space Administration, National Oceanic and Atmospheric Administration, and the United States Geological Survey. Avoiding a duplication of effort has been a primary objective of the ARMAP project which incorporates best practices (e.g. Spatial Data Infrastructure and OGC standard web services and metadata) and off the shelf technologies where appropriate. The ARMAP suite provides tools for users of various levels of technical ability to interact with the data by importing the web services directly into their own GIS applications and virtual globes; performing advanced GIS queries; simply printing maps from a set of predefined images in the map gallery; browsing the layers in an IMS; or by choosing to "fly to" sites using a 3D globe. With special emphasis on the International Polar Year (IPY), ARMAP has targeted science planners, scientists, educators, and the general public. In sum, ARMAP goes beyond a simple map display to enable analysis, synthesis, and coordination of Arctic research. ARMAP may be accessed via the gateway web site at http://www.armap.org.

Public Health Analysis Transport Optimization Model v. 1.0

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

Beyeler, Walt; Finley, Patrick; Walser, Alex

PHANTOM models logistic functions of national public health systems. The system enables public health officials to visualize and coordinate options for public health surveillance, diagnosis, response and administration in an integrated analytical environment. Users may simulate and analyze system performance applying scenarios that represent current conditions or future contingencies what-if analyses of potential systemic improvements. Public health networks are visualized as interactive maps, with graphical displays of relevant system performance metrics as calculated by the simulation modeling components.

Future Deployment and Distribution Assessment (FDDA)

DTIC Science & Technology

2011-01-26

speed capability gaps in top 10 • “Rogue” MVM gap 0 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 ranked highly • All Seabasing...gaps ranked highly by USA Capability Gap Priority Number Automated Technologies Austere Access / Speed Mounted Vertical Maneuver ( MVM ) Themes and DLA...austere access, MVM , and Seabasing n ras ruc ure Predictive Logistics UNCLASSIFIED Collect and Map S&T Initiatives Developed JDDE Collected and

Conduction at the onset of chaos

NASA Astrophysics Data System (ADS)

Baldovin, Fulvio

2017-02-01

After a general discussion of the thermodynamics of conductive processes, we introduce specific observables enabling the connection of the diffusive transport properties with the microscopic dynamics. We solve the case of Brownian particles, both analytically and numerically, and address then whether aspects of the classic Onsager's picture generalize to the non-local non-reversible dynamics described by logistic map iterates. While in the chaotic case numerical evidence of a monotonic relaxation is found, at the onset of chaos complex relaxation patterns emerge.

Secure coherent optical multi-carrier system with four-dimensional modulation space and Stokes vector scrambling.

PubMed

Zhang, Lijia; Liu, Bo; Xin, Xiangjun

2015-06-15

A secure enhanced coherent optical multi-carrier system based on Stokes vector scrambling is proposed and experimentally demonstrated. The optical signal with four-dimensional (4D) modulation space has been scrambled intra- and inter-subcarriers, where a multi-layer logistic map is adopted as the chaotic model. An experiment with 61.71-Gb/s encrypted multi-carrier signal is successfully demonstrated with the proposed method. The results indicate a promising solution for the physical secure optical communication.

Cross-terminology mapping challenges: a demonstration using medication terminological systems.

PubMed

Saitwal, Himali; Qing, David; Jones, Stephen; Bernstam, Elmer V; Chute, Christopher G; Johnson, Todd R

2012-08-01

Standardized terminological systems for biomedical information have provided considerable benefits to biomedical applications and research. However, practical use of this information often requires mapping across terminological systems-a complex and time-consuming process. This paper demonstrates the complexity and challenges of mapping across terminological systems in the context of medication information. It provides a review of medication terminological systems and their linkages, then describes a case study in which we mapped proprietary medication codes from an electronic health record to SNOMED CT and the UMLS Metathesaurus. The goal was to create a polyhierarchical classification system for querying an i2b2 clinical data warehouse. We found that three methods were required to accurately map the majority of actively prescribed medications. Only 62.5% of source medication codes could be mapped automatically. The remaining codes were mapped using a combination of semi-automated string comparison with expert selection, and a completely manual approach. Compound drugs were especially difficult to map: only 7.5% could be mapped using the automatic method. General challenges to mapping across terminological systems include (1) the availability of up-to-date information to assess the suitability of a given terminological system for a particular use case, and to assess the quality and completeness of cross-terminology links; (2) the difficulty of correctly using complex, rapidly evolving, modern terminologies; (3) the time and effort required to complete and evaluate the mapping; (4) the need to address differences in granularity between the source and target terminologies; and (5) the need to continuously update the mapping as terminological systems evolve. Copyright © 2012 Elsevier Inc. All rights reserved.

Cross-terminology mapping challenges: A demonstration using medication terminological systems

PubMed Central

Saitwal, Himali; Qing, David; Jones, Stephen; Bernstam, Elmer; Chute, Christopher G.; Johnson, Todd R.

2015-01-01

Standardized terminological systems for biomedical information have provided considerable benefits to biomedical applications and research. However, practical use of this information often requires mapping across terminological systems—a complex and time-consuming process. This paper demonstrates the complexity and challenges of mapping across terminological systems in the context of medication information. It provides a review of medication terminological systems and their linkages, then describes a case study in which we mapped proprietary medication codes from an electronic health record to SNOMED-CT and the UMLS Metathesaurus. The goal was to create a polyhierarchical classification system for querying an i2b2 clinical data warehouse. We found that three methods were required to accurately map the majority of actively prescribed medications. Only 62.5% of source medication codes could be mapped automatically. The remaining codes were mapped using a combination of semi-automated string comparison with expert selection, and a completely manual approach. Compound drugs were especially difficult to map: only 7.5% could be mapped using the automatic method. General challenges to mapping across terminological systems include (1) the availability of up-to-date information to assess the suitability of a given terminological system for a particular use case, and to assess the quality and completeness of cross-terminology links; (2) the difficulty of correctly using complex, rapidly evolving, modern terminologies; (3) the time and effort required to complete and evaluate the mapping; (4) the need to address differences in granularity between the source and target terminologies; and (5) the need to continuously update the mapping as terminological systems evolve. PMID:22750536

Bioremediation of weathered petroleum hydrocarbon soil contamination in the Canadian High Arctic: laboratory and field studies.

PubMed

Sanscartier, David; Laing, Tamsin; Reimer, Ken; Zeeb, Barbara

2009-11-01

The bioremediation of weathered medium- to high-molecular weight petroleum hydrocarbons (HCs) in the High Arctic was investigated. The polar desert climate, contaminant characteristics, and logistical constraints can make bioremediation of persistent HCs in the High Arctic challenging. Landfarming (0.3 m(3) plots) was tested in the field for three consecutive years with plots receiving very little maintenance. Application of surfactant and fertilizers, and passive warming using a greenhouse were investigated. The field study was complemented by a laboratory experiment to better understand HC removal mechanisms and limiting factors affecting bioremediation on site. Significant reduction of total petroleum HCs (TPH) was observed in both experiments. Preferential removal of compounds nC16 occurred, whereas in the field, TPH reduction was mainly limited to removal of compounds nC16 was observed in the fertilized field plots only. The greenhouse increased average soil temperatures and extended the treatment season but did not enhance bioremediation. Findings suggest that temperature and low moisture content affected biodegradation of HCs in the field. Little volatilization was measured in the laboratory, but this process may have been predominant in the field. Low-maintenance landfarming may be best suited for remediation of HCs compounds

APOPTOSIS OF CEREBELLAR GRANULE CELLS INDUCED BY ORGANOTIN COMPOUNDS FOUND IN DRINKING WATER: INVOLVEMENT OF MAP KINASES.

EPA Science Inventory

Mono- and dialkyl organotins have been found in drinking water in homes and businesses served by PVC pipes. Because the structurally related trialkyl organotins (eg. trimethyltin, tributyltin) are well known neurotoxicants, there is concern over the potential for the mono- and di...

Mapping the determinants of health inequalities in social space: can Bourdieu help us?

PubMed

Gatrell, Anthony C; Popay, Jennie; Thomas, Carol

2004-09-01

Considerable research effort has been devoted to describing and explaining, at a variety of spatial scales, geographical inequalities in health outcomes within the developed world. Following Bourdieu, we argue that structures of the social world may be revealed in different kinds of 'social' space. We outline the relational thinking that underlies these ideas. We then 'map', using correspondence analysis (on which Bourdieu himself drew), the structure of social space according to the differential availability of some forms of capital, across four study areas in north-west England. We use logistic regression analysis to explain variation in psychological morbidity (GHQ-score) and then portray the significant predictors of morbidity using multiple correspondence analysis. The area of residence of the survey respondents is used to associate them with particular locations in these social spaces.

Genetic training of network using chaos concept: application to QSAR studies of vibration modes of tetrahedral halides.

PubMed

Lu, Qingzhang; Shen, Guoli; Yu, Ruqin

2002-11-15

The chaotic dynamical system is introduced in genetic algorithm to train ANN to formulate the CGANN algorithm. Logistic mapping as one of the most important chaotic dynamic mappings provides each new generation a high chance to hold GA's population diversity. This enhances the ability to overcome overfitting in training an ANN. The proposed CGANN has been used for QSAR studies to predict the tetrahedral modes (nu(1)(A1) and nu(2)(E)) of halides [MX(4)](epsilon). The frequencies predicted by QSAR were compared with those calculated by quantum chemistry methods including PM3, AM1, and MNDO/d. The possibility of improving the predictive ability of QSAR by including quantum chemistry parameters as feature variables has been investigated using tetrahedral tetrahalide examples. Copyright 2002 Wiley Periodicals, Inc.

Energy Self-Sufficiency for Air Force Logistics Command (AFLC) Bases: An Initial Investigation.

DTIC Science & Technology

1980-06-01

34bottoming cycle ," the system works best for heavy duty trucks on long hauls at constant speeds. Known as the Diesel-Organic Rankine compound engine, it...tolerance for the natural cycle variations of temperature, tides and flows. The range of tolerance is not great for any species and very narrow for some. An...methanol would serve as fuel for a combined- cycle gas tur- bine electrical generator (24:39-40). Coal gasification is presently being considered by the

User’s guide to the collection and analysis of tree cores to assess the distribution of subsurface volatile organic compounds

USGS Publications Warehouse

Vroblesky, Don A.

2008-01-01

Analysis of the volatile organic compound content of tree cores is an inexpensive, rapid, simple approach to examining the distribution of subsurface volatile organic compound contaminants. The method has been shown to detect several volatile petroleum hydrocarbons and chlorinated aliphatic compounds associated with vapor intrusion and ground-water contamination. Tree cores, which are approximately 3 inches long, are obtained by using an increment borer. The cores are placed in vials and sealed. After a period of equilibration, the cores can be analyzed by headspace analysis gas chromatography. Because the roots are exposed to volatile organic compound contamination in the unsaturated zone or shallow ground water, the volatile organic compound concentrations in the tree cores are an indication of the presence of subsurface volatile organic compound contamination. Thus, tree coring can be used to detect and map subsurface volatile organic compound contamination. For comparison of tree-core data at a particular site, it is important to maintain consistent methods for all aspects of tree-core collection, handling, and analysis. Factors affecting the volatile organic compound concentrations in tree cores include the type of volatile organic compound, the tree species, the rooting depth, ground-water chemistry, the depth to the contaminated horizon, concentration differences around the trunk related to variations in the distribution of subsurface volatile organic compounds, concentration differences with depth of coring related to volatilization loss through the bark and possibly other unknown factors, dilution by rain, seasonal influences, sorption, vapor-exchange rates, and within-tree volatile organic compound degradation.

Quality of ground water used for selected municipal water supplies in Iowa, 1982-96 water years

USGS Publications Warehouse

Schaap, B.D.; Linhart, S.M.

1998-01-01

Maps show the general location of wells that have been sampled in the various aquifers. Other maps show the location of wells where sulfate and nitrite plus nitrate concentrations exceed the respective Maximum Contaminant Levels and wells where concentrations of the pesticides alachlor, atrazine, or cyanazine exceeded the respective minimum reporting levels. The compact disc included with this report has information about water-quality properties and concentrations of dissolved solids, major ions, nutrients, trace elements, radionuclides, total organic carbon, pesticides, and synthetic organic compounds for water years 1982 through 1996.

A two-dimensional proteome map of the aflatoxigenic fungus Aspergillus flavus.

PubMed

Pechanova, Olga; Pechan, Tibor; Rodriguez, Jose M; Williams, W Paul; Brown, Ashli E

2013-05-01

The filamentous fungus Aspergillus flavus is an opportunistic soil-borne pathogen that produces aflatoxins, the most potent naturally occurring carcinogenic compounds known. This work represents the first gel-based profiling analysis of A. flavus proteome and establishes a 2D proteome map. Using 2DE and MALDI-TOF-MS/MS, we identified 538 mycelial proteins of the aflatoxigenic strain NRRL 3357, the majority of which were functionally annotated as related to various cellular metabolic and biosynthetic processes. Additionally, a few enzymes from the aflatoxin synthesis pathway were also identified. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fractional CO₂ Laser Pretreatment Facilitates Transdermal Delivery of Two Vitamin C Derivatives.

PubMed

Hsiao, Chien-Yu; Sung, Hsin-Ching; Hu, Sindy; Huang, Yau-Li; Huang, Chun-Hsun

2016-11-16

Topical vitamin C derivatives have been used to treat melasma and used as a skin whitener. The aim of this study was to compare skin histology and permeation of l-ascorbic acid 2-phosphate sesquimagnesium salt (MAP-1) and magnesium l-ascorbic acid-2-phosphate (MAP-2) after fractional CO₂ laser pretreatment. The effect of fractional laser treatment on porcine skin was examined by scanning electron microscopy and confocal laser scanning electron microscopy. The effect of fractional CO₂ laser treatment of different fluencies and pass numbers on transdermal flux of the two vitamin C derivatives through porcine skin was examined in vitro using a Franz diffusion chamber. Fluxes of MAP-1 and MAP-2 across fractional CO₂ laser-treated (5 W) skin were eight- to 13-fold, and 20- to 22-fold higher, respectively, than the fluxes of these compounds across intact skin. Fluxes of MAP-1 and MAP-2 across fractional CO₂ laser-treated (9 W) skin were 14- to 19-fold, and 30- to 42-fold higher, respectively, than their fluxes across intact skin. Fractional CO₂ laser treatment is an effective way of delivering vitamin C derivatives into the skin.

Estimating dry grass residues using landscape integration analysis

NASA Technical Reports Server (NTRS)

Hart, Quinn J.; Ustin, Susan L.; Duan, Lian; Scheer, George

1993-01-01

The acreage of grassland and grassland-savannah is extensive in California, making direct measurement and assessment logistically impossible. Grasslands cover the entire Central Valley up to about 1200 m elevation in the Coast Range and Sierra Nevada Range. Kuchler's map shows 5.35 M ha grassland with an additional 3.87 M ha in Oak savannah. The goal of this study was to examine the use of high spectral resolution sensors to distinguish between dry grass and soil in remotely sensed images. Spectral features that distinguish soils and dry plant material in the shortwave infrared (SWIR) region are thought to be primarily caused by cellulose and lignin, biochemicals which are absent from soils or occur as breakdown products in humid substances that lack the narrow-band features. We have used spectral mixing analysis (SMA) combined with Geographic Information Systems (GIS) analysis to characterize plant communities and dry grass biomass. The GIS was used to overlay elevation maps, and vegetation maps, with the SMA results. The advantage of non-image data is that it provides an independent source of information for the community classification.

Detection and mapping of illicit drugs and their metabolites in fingermarks by MALDI MS and compatibility with forensic techniques

NASA Astrophysics Data System (ADS)

Groeneveld, G.; de Puit, M.; Bleay, S.; Bradshaw, R.; Francese, S.

2015-06-01

Despite the proven capabilities of Matrix Assisted Laser Desorption Ionisation Mass Spectrometry (MALDI MS) in laboratory settings, research is still needed to integrate this technique into current forensic fingerprinting practice. Optimised protocols enabling the compatible application of MALDI to developed fingermarks will allow additional intelligence to be gathered around a suspect’s lifestyle and activities prior to the deposition of their fingermarks while committing a crime. The detection and mapping of illicit drugs and metabolites in latent fingermarks would provide intelligence that is beneficial for both police investigations and court cases. This study investigated MALDI MS detection and mapping capabilities for a large range of drugs of abuse and their metabolites in fingermarks; the detection and mapping of a mixture of these drugs in marks, with and without prior development with cyanoacrylate fuming or Vacuum Metal Deposition, was also examined. Our findings indicate the versatility of MALDI technology and its ability to retrieve chemical intelligence either by detecting the compounds investigated or by using their ion signals to reconstruct 2D maps of fingermark ridge details.

Theory-driven design of hole-conducting transparent oxides

NASA Astrophysics Data System (ADS)

Trimarchi, G.; Peng, H.; Im, J.; Freeman, A. J.; Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Biswas, K.; Lany, S.; Zunger, A.

2012-02-01

The design of p-type transparent conducting oxides (TCOs) aims at simultaneously achieving transparency and high hole concentration and hole conductivity in one compound. Such design principles (DPs) define a multi-objective optimization problem that is to be solved by searching a large set of compounds for optimum ones. Here, we screen a large set of ternary compounds, including Ag and Cu oxides and chalcogenides, by calculating via first-principles methods the design properties of each compound, in order to search for optimum p-type TCOs. We first select Ag3VO4 as a case study of the application of ab-initio methods to assess a compound as a candidate p-type TCO. We predict Ag3VO4 (i) to have a hole concentration of 10^14 cm-3 at room temperature, (ii) to be at the verge of transparency, and (iii) to have lower hole effective mass than the prototype p-type TCO CuAlO2. We then map the hole effective mass vs. the band gap in the selected compounds and determine those that best meet the DPs by having simultaneously minimum effective mass and a band gap large enough for transparency.

Causes and implications of the unforeseen 2016 extreme yield loss in the breadbasket of France.

PubMed

Ben-Ari, Tamara; Boé, Julien; Ciais, Philippe; Lecerf, Remi; Van der Velde, Marijn; Makowski, David

2018-04-24

In 2016, France, one of the leading wheat-producing and wheat-exporting regions in the world suffered its most extreme yield loss in over half a century. Yet, yield forecasting systems failed to anticipate this event. We show that this unprecedented event is a new type of compound extreme with a conjunction of abnormally warm temperatures in late autumn and abnormally wet conditions in the following spring. A binomial logistic regression accounting for fall and spring conditions is able to capture key yield loss events since 1959. Based on climate projections, we show that the conditions that led to the 2016 wheat yield loss are projected to become more frequent in the future. The increased likelihood of such compound extreme events poses a challenge: farming systems and yield forecasting systems, which often support them, must adapt.

A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.

PubMed Central

Fox, T.; Coll, J. T.; Xie, X.; Ford, P. J.; Germann, U. A.; Porter, M. D.; Pazhanisamy, S.; Fleming, M. A.; Galullo, V.; Su, M. S.; Wilson, K. P.

1998-01-01

Mitogen-activated protein (MAP) kinases are serine/threonine kinases that mediate intracellular signal transduction pathways. Pyridinyl imidazole compounds block pro-inflammatory cytokine production and are specific p38 kinase inhibitors. ERK2 is related to p38 in sequence and structure, but is not inhibited by pyridinyl imidazole inhibitors. Crystal structures of two pyridinyl imidazoles complexed with p38 revealed these compounds bind in the ATP site. Mutagenesis data suggested a single residue difference at threonine 106 between p38 and other MAP kinases is sufficient to confer selectivity of pyridinyl imidazoles. We have changed the equivalent residue in human ERK2, Q105, into threonine and alanine, and substituted four additional ATP binding site residues. The single residue change Q105A in ERK2 enhances the binding of SB202190 at least 25,000-fold compared to wild-type ERK2. We report enzymatic analyses of wild-type ERK2 and the mutant proteins, and the crystal structure of a pyridinyl imidazole, SB203580, bound to an ERK2 pentamutant, I103L, Q105T, D106H, E109G. T110A. These ATP binding site substitutions induce low nanomolar sensitivity to pyridinyl imidazoles. Furthermore, we identified 5-iodotubercidin as a potent ERK2 inhibitor, which may help reveal the role of ERK2 in cell proliferation. PMID:9827991

Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivative

NASA Astrophysics Data System (ADS)

Menon, Vidya V.; Sheena Mary, Y.; Shyma Mary, Y.; Panicker, C. Yohannan; Bielenica, Anna; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, Christian

2018-03-01

A novel thiourea derivative, 1-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-22) is synthesized and characterized by FTIR, FT-Raman and NMR spectroscopy experimentally and theoretically. A detailed conformational analysis of the title molecule has been conducted in order to locate the lowest energy geometry, which was further subjected to the detailed investigation of spectroscopic, reactive, degradation and docking studies by density functional theory (DFT) calculations and molecular dynamics (MD) simulations. Time dependent DFT (TD-DFT) calculations have been used also in order to simulate UV spectra and investigate charge transfer within molecule. Natural bond orbital analysis has been performed analyzing the charge delocalization and using HOMO and LUMO energies the electronic properties are analyzed. Molecular electrostatic potential map is used for the quantitative measurement of active sites in the molecule. In order to determine the locations possibly prone to electrophilic attacks we have calculated average local ionization energies and mapped them to the electron density surface. Further insight into the local reactivity properties have been obtained by calculation of Fukui functions, also mapped to the electron density surface. Possible degradation properties by the autoxidation mechanism have been assessed by calculations of bond dissociation energies for hydrogen abstraction. Atoms of title molecule with significant interactions with water molecules have been determined by calculations of radial distribution functions. The title compound can be a lead compound for developing new analgesic drug.

Combined 3D-QSAR and molecular docking study on 7,8-dialkyl-1,3-diaminopyrrolo-[3,2-f] Quinazoline series compounds to understand the binding mechanism of DHFR inhibitors

NASA Astrophysics Data System (ADS)

Aouidate, Adnane; Ghaleb, Adib; Ghamali, Mounir; Chtita, Samir; Choukrad, M'barek; Sbai, Abdelouahid; Bouachrine, Mohammed; Lakhlifi, Tahar

2017-07-01

A series of nineteen DHFR inhibitors was studied based on the combination of two computational techniques namely, three-dimensional quantitative structure activity relationship (3D-QSAR) and molecular docking. The comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) were developed using 19 molecules having pIC50 ranging from 9.244 to 5.839. The best CoMFA and CoMSIA models show conventional determination coefficients R2 of 0.96 and 0.93 as well as the Leave One Out cross-validation determination coefficients Q2 of 0.64 and 0.72, respectively. The predictive ability of those models was evaluated by the external validation using a test set of five compounds with predicted determination coefficients R2test of 0.92 and 0.94, respectively. The binding mode between this kind of compounds and the DHFR enzyme in addition to the key amino acid residues were explored by molecular docking simulation. Contour maps and molecular docking identified that the R1 and R2 natures at the pyrazole moiety are the important features for the optimization of the binding affinity to the DHFR receptor. According to the good concordance between the CoMFA/CoMSIA contour maps and docking results, the obtained information was explored to design novel molecules.

3-D ultrafast Doppler imaging applied to the noninvasive mapping of blood vessels in vivo.

PubMed

Provost, Jean; Papadacci, Clement; Demene, Charlie; Gennisson, Jean-Luc; Tanter, Mickael; Pernot, Mathieu

2015-08-01

Ultrafast Doppler imaging was introduced as a technique to quantify blood flow in an entire 2-D field of view, expanding the field of application of ultrasound imaging to the highly sensitive anatomical and functional mapping of blood vessels. We have recently developed 3-D ultrafast ultrasound imaging, a technique that can produce thousands of ultrasound volumes per second, based on a 3-D plane and diverging wave emissions, and demonstrated its clinical feasibility in human subjects in vivo. In this study, we show that noninvasive 3-D ultrafast power Doppler, pulsed Doppler, and color Doppler imaging can be used to perform imaging of blood vessels in humans when using coherent compounding of 3-D tilted plane waves. A customized, programmable, 1024-channel ultrasound system was designed to perform 3-D ultrafast imaging. Using a 32 × 32, 3-MHz matrix phased array (Vermon, Tours, France), volumes were beamformed by coherently compounding successive tilted plane wave emissions. Doppler processing was then applied in a voxel-wise fashion. The proof of principle of 3-D ultrafast power Doppler imaging was first performed by imaging Tygon tubes of various diameters, and in vivo feasibility was demonstrated by imaging small vessels in the human thyroid. Simultaneous 3-D color and pulsed Doppler imaging using compounded emissions were also applied in the carotid artery and the jugular vein in one healthy volunteer.

Sources of endocrine-disrupting compounds in North Carolina waterways: a geographic information systems approach

USGS Publications Warehouse

Sackett, Dana K.; Pow, Crystal Lee; Rubino, Matthew J.; Aday, D.D.; Cope, W. Gregory; Kullman, Seth W.; Rice, J.A.; Kwak, Thomas J.; Law, L.M.

2015-01-01

The presence of endocrine-disrupting compounds (EDCs), particularly estrogenic compounds, in the environment has drawn public attention across the globe, yet a clear understanding of the extent and distribution of estrogenic EDCs in surface waters and their relationship to potential sources is lacking. The objective of the present study was to identify and examine the potential input of estrogenic EDC sources in North Carolina water bodies using a geographic information system (GIS) mapping and analysis approach. Existing data from state and federal agencies were used to create point and nonpoint source maps depicting the cumulative contribution of potential sources of estrogenic EDCs to North Carolina surface waters. Water was collected from 33 sites (12 associated with potential point sources, 12 associated with potential nonpoint sources, and 9 reference), to validate the predictive results of the GIS analysis. Estrogenicity (measured as 17β-estradiol equivalence) ranged from 0.06 ng/L to 56.9 ng/L. However, the majority of sites (88%) had water 17β-estradiol concentrations below 1 ng/L. Sites associated with point and nonpoint sources had significantly higher 17β-estradiol levels than reference sites. The results suggested that water 17β-estradiol was reflective of GIS predictions, confirming the relevance of landscape-level influences on water quality and validating the GIS approach to characterize such relationships.

Sources of endocrine-disrupting compounds in North Carolina waterways: a geographic information systems approach.

PubMed

Sackett, Dana K; Pow, Crystal Lee; Rubino, Matthew J; Aday, D Derek; Cope, W Gregory; Kullman, Seth; Rice, James A; Kwak, Thomas J; Law, Mac

2015-02-01

The presence of endocrine-disrupting compounds (EDCs), particularly estrogenic compounds, in the environment has drawn public attention across the globe, yet a clear understanding of the extent and distribution of estrogenic EDCs in surface waters and their relationship to potential sources is lacking. The objective of the present study was to identify and examine the potential input of estrogenic EDC sources in North Carolina water bodies using a geographic information system (GIS) mapping and analysis approach. Existing data from state and federal agencies were used to create point and nonpoint source maps depicting the cumulative contribution of potential sources of estrogenic EDCs to North Carolina surface waters. Water was collected from 33 sites (12 associated with potential point sources, 12 associated with potential nonpoint sources, and 9 reference), to validate the predictive results of the GIS analysis. Estrogenicity (measured as 17β-estradiol equivalence) ranged from 0.06 ng/L to 56.9 ng/L. However, the majority of sites (88%) had water 17β-estradiol concentrations below 1 ng/L. Sites associated with point and nonpoint sources had significantly higher 17β-estradiol levels than reference sites. The results suggested that water 17β-estradiol was reflective of GIS predictions, confirming the relevance of landscape-level influences on water quality and validating the GIS approach to characterize such relationships. © 2014 SETAC.

Geologic map of the Riverside East 7.5' quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; Cox, Brett F.

2001-01-01

a. This Readme; includes in Appendix I, data contained in rse_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced 1:24,000-scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation-name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Marine deposits are in part overlain by local, mostly alluvial fan, deposits and are labeled Qomf. Grain size follows f. Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Geologic map of the Corona North 7.5' quadrangle, Riverside and San Bernardino counties, California

USGS Publications Warehouse

Morton, Douglas M.; Gray, C.H.; Bovard, Kelly R.; Dawson, Michael

2002-01-01

a. This Readme; includes in Appendix I, data contained in crn_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced precise 1:24,000- scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Marine deposits are in part overlain by local, mostly alluvial fan, deposits and are labeled Qomf. Grain size follows f. Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Geologic map of the Corona South 7.5' quadrangle, Riverside and Orange counties, California

USGS Publications Warehouse

Gray, C.H.; Morton, Douglas M.; Weber, F. Harold; Digital preparation by Bovard, Kelly R.; O'Brien, Timothy

2002-01-01

a. A Readme file; includes in Appendix I, data contained in crs_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced 1:24,000-scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation-name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Marine deposits are in part overlain by local, mostly alluvial fan, deposits and are labeled Qomf. Grain size follows f. Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Geologic map of the Lake Mathews 7.5' quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; Weber, F. Harold

2001-01-01

a. This Readme; includes in Appendix I, data contained in lkm_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced 1:24,000-scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Miscellaneous Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation-name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous.Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand.In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Marine deposits are in part overlain by local, mostly alluvial fan, deposits and are labeled Qomf. Grain size follows f. Even though this is an Open-File report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Geologic map of the Steele Peak 7.5' quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; digital preparation by Alvarez, Rachel M.; Diep, Van M.

2001-01-01

a. This Readme; includes in Appendix I, data contained in stp_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced 1:24,000-scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation-name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Marine deposits are in part overlain by local, mostly alluvial fan, deposits and are labeled Qomf. Grain size follows f. Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Geologic map of the Riverside West 7.5' quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; Cox, Brett F.

2001-01-01

a. This Readme; includes in Appendix I, data contained in rsw_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced 1:24,000-scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation-name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Marine deposits are in part overlain by local, mostly alluvial fan, deposits and are labeled Qomf. Grain size follows f.Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Bio-oil Analysis Using Negative Electrospray Ionization: Comparative Study of High-Resolution Mass Spectrometers and Phenolic versus Sugaric Components

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

Smith, Erica A.; Park, Soojin; Klein, Adam T.

2012-05-16

We have previously demonstrated that a petroleomic analysis could be performed for bio-oils and revealed the complex nature of bio-oils for the nonvolatile phenolic compounds (Smith, E.; Lee, Y. J. Energy Fuels 2010, 24, 5190−5198). As a subsequent study, we have adapted electrospray ionization in negative-ion mode to characterize a wide variety of bio-oil compounds. A comparative study of three common high-resolution mass spectrometers was performed to validate the methodology and to investigate the differences in mass discrimination and resolution. The mass spectrum is dominated by low mass compounds with m/z of 100–250, with some compounds being analyzable by gasmore » chromatography–mass spectrometry (GC–MS). We could characterize over 800 chemical compositions, with only about 40 of them being previously known in GC–MS. This unveiled a much more complex nature of bio-oils than typically shown by GC–MS. The pyrolysis products of cellulose and hemicellulose, particularly polyhydroxy cyclic hydrocarbons (or what we call “sugaric” compounds), such as levoglucosan, could be effectively characterized with this approach. Phenolic compounds from lignin pyrolysis could be clearly distinguished in a contour map of double bond equivalent (DBE) versus the number of carbons from these sugaric compounds.« less

Understanding the polypharmacological anticancer effects of Xiao Chai Hu Tang via a computational pharmacological model

PubMed Central

ZHENG, CHUN-SONG; WU, YIN-SHENG; BAO, HONG-JUAN; XU, XIAO-JIE; CHEN, XING-QIANG; YE, HONG-ZHI; WU, GUANG-WEN; XU, HUI-FENG; LI, XI-HAI; CHEN, JIA-SHOU; LIU, XIAN-XIANG

2014-01-01

Xiao Chai Hu Tang (XCHT), a traditional herbal formula, is widely administered as a cancer treatment. However, the underlying molecular mechanisms of its anticancer effects are not fully understood. In the present study, a computational pharmacological model that combined chemical space mapping, molecular docking and network analysis was employed to predict which chemical compounds in XCHT are potential inhibitors of cancer-associated targets, and to establish a compound-target (C-T) network and compound-compound (C-C) association network. The identified compounds from XCHT demonstrated diversity in chemical space. Furthermore, they occupied regions of chemical space that were the same, or close to, those occupied by drug or drug-like compounds that are associated with cancer, according to the Therapeutic Targets Database. The analysis of the molecular docking and the C-T network demonstrated that the potential inhibitors possessed the properties of promiscuous drugs and combination therapies. The C-C network was classified into four clusters and the different clusters contained various multi-compound combinations that acted on different targets. The study indicated that XCHT has a polypharmacological role in treating cancer and the potential inhibitory components of XCHT require further investigation as potential therapeutic strategies for cancer patients. PMID:24926384

Chemometric studies on potential larvicidal compounds against Aedes aegypti.

PubMed

Scotti, Luciana; Scotti, Marcus Tullius; Silva, Viviane Barros; Santos, Sandra Regina Lima; Cavalcanti, Sócrates C H; Mendonça, Francisco J B

2014-03-01

The mosquito Aedes aegypti (Diptera, Culicidae) is the vector of yellow and dengue fever. In this study, chemometric tools, such as, Principal Component Analysis (PCA), Consensus PCA (CPCA), and Partial Least Squares Regression (PLS), were applied to a set of fifty five active compounds against Ae. aegypti larvae, which includes terpenes, cyclic alcohols, phenolic compounds, and their synthetic derivatives. The calculations were performed using the VolSurf+ program. CPCA analysis suggests that the higher weight blocks of descriptors were SIZE/SHAPE, DRY, and H2O. The PCA was generated with 48 descriptors selected from the previous blocks. The scores plot showed good separation between more and less potent compounds. The first two PCs accounted for over 60% of the data variance. The best model obtained in PLS, after validation leave-one-out, exhibited q(2) = 0.679 and r(2) = 0.714. External prediction model was R(2) = 0.623. The independent variables having a hydrophobic profile were strongly correlated to the biological data. The interaction maps generated with the GRID force field showed that the most active compounds exhibit more interaction with the DRY probe.

Effect of interlayer coupling on the coexistence of antiferromagnetism and superconductivity in Fe pnictide superconductors: A study of Ca0.74 (1 )La0.26 (1 )(Fe1 -xCox)As2 single crystals

NASA Astrophysics Data System (ADS)

Jiang, Shan; Liu, Lian; Schütt, Michael; Hallas, Alannah M.; Shen, Bing; Tian, Wei; Emmanouilidou, Eve; Shi, Aoshuang; Luke, Graeme M.; Uemura, Yasutomo J.; Fernandes, Rafael M.; Ni, Ni

2016-05-01

We report the transport, thermodynamic, muon spin relaxation, and neutron study of the Ca0.74 (1 )La0.26 (1 ) (Fe1 -xCox )As2 single crystals, mapping out the temperature-doping level phase diagram. Upon Co substitution on the Fe site, the structural and magnetic phase transitions in this 112 compound are suppressed and superconductivity up to 20 K occurs. Our measurements of the superconducting and magnetic volume fractions show that these two phases coexist microscopically in the underdoped region, in contrast to the related Ca10(Pt3As8 )((Fe1 -xPtx )2As2 )5 (10-3-8) compound, where coexistence is absent. Supported by model calculations, we discuss the differences in the phase diagrams of the 112 and 10-3-8 compounds in terms of the FeAs interlayer coupling, whose strength is affected by the character of the spacer layer, which is metallic in the 112 compound and insulating in the 10-3-8 compound.

MAP3K1 May be a Promising Susceptibility Gene for Type 2 Diabetes Mellitus in an Iranian Population

PubMed Central

Torkamandi, Shahram; Bastami, Milad; Ghaedi, Hamid; Moghadam, Fateme; Mirfakhraie, Reza; Omrani, Mir Davood

2016-01-01

Considering that MAPK (mitogen- activated protein kinase) signaling pathway has an important role in the progression of inflammatory cytokine secretion in type 2 diabetes mellitus (T2DM), we have recently investigated the reported genetic polymorphism from genome wide association study in MAP3K1 (mitogen-activated protein kinase kinase kinase 1) in diabetes as an important member of MAPK signaling. This study aimed to investigate the possible association of rs10461617 at the upstream of MAP3K1 gene in an Iranian case-control study with the risk of T2DM. The study population was comprised of 342 unrelated Iranian individuals including 177 patients with T2DM and 165 unrelated healthy control subjects. Genotyping was performed using PCR-RFLP and confirmed with sequencing. In a logistic regression analysis, the rs10461617A allele was associated with a significantly higher risk of T2DM assuming the log- additive model (OR: 1.44, 95% CI: 1.01-2.05, P = 0.039). In conclusion, we provided the first evidence for the association of rs10461617 at the upstream of MAP3K1 with the risk of T2DM in an Iranian population. PMID:27942499

Forest Fire Mapping

NASA Technical Reports Server (NTRS)

1990-01-01

The Fire Logistics Airborne Mapping Equipment (FLAME) system, mounted in a twin-engine and airplane operated by the U.S. Forest Service (USFS) of the U.S. Department of Agriculture (USDA), is an airborne instrument for detecting and pinpointing forest fires that might escape ground detection. The FLAME equipment rack includes the operator interface, a video monitor, the system's control panel and film output. FLAME's fire detection sensor is an infrared line scanner system that identifies fire boundaries. Sensor's information is correlated with the aircraft's position and altitude at the time the infrared imagery is acquired to fix the fire's location on a map. System can be sent to a fire locale anywhere in the U.S. at the request of a regional forester. USFS felt a need for a more advanced system to deliver timely fire information to fire management personnel in the decade of the 1990s. The Jet Propulsion Laboratory (JPL) conducted a study, jointly sponsored by NASA and USDA, on what advanced technologies might be employed to produce an end-to-end thermal infrared fire detection and mapping system. That led to initiation of the Firefly system, currently in development at JPL and targeted for operational service beginning in 1992. Firefly will employ satellite-reference position fixing and provide performance superior to FLAME.

An assessment on the use of bivariate, multivariate and soft computing techniques for collapse susceptibility in GIS environ

NASA Astrophysics Data System (ADS)

Yilmaz, Işik; Marschalko, Marian; Bednarik, Martin

2013-04-01

The paper presented herein compares and discusses the use of bivariate, multivariate and soft computing techniques for collapse susceptibility modelling. Conditional probability (CP), logistic regression (LR) and artificial neural networks (ANN) models representing the bivariate, multivariate and soft computing techniques were used in GIS based collapse susceptibility mapping in an area from Sivas basin (Turkey). Collapse-related factors, directly or indirectly related to the causes of collapse occurrence, such as distance from faults, slope angle and aspect, topographical elevation, distance from drainage, topographic wetness index (TWI), stream power index (SPI), Normalized Difference Vegetation Index (NDVI) by means of vegetation cover, distance from roads and settlements were used in the collapse susceptibility analyses. In the last stage of the analyses, collapse susceptibility maps were produced from the models, and they were then compared by means of their validations. However, Area Under Curve (AUC) values obtained from all three models showed that the map obtained from soft computing (ANN) model looks like more accurate than the other models, accuracies of all three models can be evaluated relatively similar. The results also showed that the conditional probability is an essential method in preparation of collapse susceptibility map and highly compatible with GIS operating features.

Re-evaluation of a novel approach for quantitative myocardial oedema detection by analysing tissue inhomogeneity in acute myocarditis using T2-mapping.

PubMed

Baeßler, Bettina; Schaarschmidt, Frank; Treutlein, Melanie; Stehning, Christian; Schnackenburg, Bernhard; Michels, Guido; Maintz, David; Bunck, Alexander C

2017-12-01

To re-evaluate a recently suggested approach of quantifying myocardial oedema and increased tissue inhomogeneity in myocarditis by T2-mapping. Cardiac magnetic resonance data of 99 patients with myocarditis were retrospectively analysed. Thirthy healthy volunteers served as controls. T2-mapping data were acquired at 1.5 T using a gradient-spin-echo T2-mapping sequence. T2-maps were segmented according to the 16-segments AHA-model. Segmental T2-values, segmental pixel-standard deviation (SD) and the derived parameters maxT2, maxSD and madSD were analysed and compared to the established Lake Louise criteria (LLC). A re-estimation of logistic regression models revealed that all models containing an SD-parameter were superior to any model containing global myocardial T2. Using a combined cut-off of 1.8 ms for madSD + 68 ms for maxT2 resulted in a diagnostic sensitivity of 75% and specificity of 80% and showed a similar diagnostic performance compared to LLC in receiver-operating-curve analyses. Combining madSD, maxT2 and late gadolinium enhancement (LGE) in a model resulted in a superior diagnostic performance compared to LLC (sensitivity 93%, specificity 83%). The results show that the novel T2-mapping-derived parameters exhibit an additional diagnostic value over LGE with the inherent potential to overcome the current limitations of T2-mapping. • A novel quantitative approach to myocardial oedema imaging in myocarditis was re-evaluated. • The T2-mapping-derived parameters maxT2 and madSD were compared to traditional Lake-Louise criteria. • Using maxT2 and madSD with dedicated cut-offs performs similarly to Lake-Louise criteria. • Adding maxT2 and madSD to LGE results in further increased diagnostic performance. • This novel approach has the potential to overcome the limitations of T2-mapping.

Nature Bank and the Queensland Compound Library: unique international resources at the Eskitis Institute for Drug Discovery.

PubMed

Camp, David; Newman, Stuart; Pham, Ngoc B; Quinn, Ronald J

2014-03-01

The Eskitis Institute for Drug Discovery is home to two unique resources, Nature Bank and the Queensland Compound Library (QCL), that differentiate it from many other academic institutes pursuing chemical biology or early phase drug discovery. Nature Bank is a comprehensive collection of plants and marine invertebrates that have been subjected to a process which aligns downstream extracts and fractions with lead- and drug-like physicochemical properties. Considerable expertise in screening natural product extracts/fractions was developed at Eskitis over the last two decades. Importantly, biodiscovery activities have been conducted from the beginning in accordance with the UN Convention on Biological Diversity (CBD) to ensure compliance with all international and national legislative requirements. The QCL is a compound management and logistics facility that was established from public funds to augment previous investments in high throughput and phenotypic screening in the region. A unique intellectual property (IP) model has been developed in the case of the QCL to stimulate applied, basic and translational research in the chemical and life sciences by industry, non-profit, and academic organizations.

Preliminary geologic map of the Elsinore 7.5' Quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; Weber, F. Harold; Digital preparation: Alvarez, Rachel M.; Burns, Diane

2003-01-01

Open-File Report 03-281 contains a digital geologic map database of the Elsinore 7.5’ quadrangle, Riverside County, California that includes: 1. ARC/INFO (Environmental Systems Research Institute, http://www.esri.com) version 7.2.1 coverages of the various elements of the geologic map. 2. A Postscript file to plot the geologic map on a topographic base, and containing a Correlation of Map Units diagram (CMU), a Description of Map Units (DMU), and an index map. 3. Portable Document Format (.pdf) files of: a. This Readme; includes in Appendix I, data contained in els_met.txt b. The same graphic as plotted in 2 above. Test plots have not produced precise 1:24,000-scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formation-name, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above).

Mapping and Monitoring Stream Aquatic Habitat With a Narrow-Beam Green Lidar

NASA Astrophysics Data System (ADS)

McKean, J.; Wright, W.; Kinzel, P.; Isaak, D.

2006-12-01

Stream environments are structured by complex biophysical processes that operate across multiple spatial and temporal scales. Disentangling these multiscalar and multicausal relationships is difficult, but fundamental to understanding, managing, and monitoring channel aquatic ecosystems. Standard field wading surveys of stream physical habitat are limited by cost and logistics to relatively small, isolated samples. Traditional remotely sensed surveys, including methods such as photogrammetry and near-infrared lidar, suffer from attenuation by water and do not directly map submerged channel topography. The Experimental Advanced Airborne Research Lidar (EAARL) is a full-waveform lidar with a unique ability to simultaneously map, with relatively high resolution, subaqueous and subaerial topography and the vegetation canopy. We have used the EAARL instrument to investigate two dissimilar stream ecosystems. We mapped 40km of low gradient, meandering, gravel-bed streams in central Idaho that are spawning habitat for threatened Chinook salmon. We are using the continuous three-dimensional channel maps to quantitatively explore how channel features affect the distribution of salmon spawning at multiple spatial scales and how modern stream and floodplain topography is related to post-glacial valley evolution. In contrast, the Platte River in central Nebraska is a wide and shallow, sand-bedded river that provides habitat for migratory water birds, including endangered species such as the whooping crane and least tern. Multi-temporal EAARL data are being used to map and monitor the physical response of the Platte River to habitat improvement projects that include in-channel and riparian vegetation removal and river flow augmentation to limit vegetation encroachment.

Mapping Biomass for REDD in the Largest Forest of Central Africa: the Democratic Republic of Congo

NASA Astrophysics Data System (ADS)

Shapiro, Aurelie; Saatchi, Sassan

2014-05-01

With the support of the International Climate Initiative (ICI) of the Federal Ministry of the Environment, Conservation, and Nuclear Security, the implementation of the German Development Bank KfW, the World Wide Fund for Nature (WWF) Germany, the University of California Los Angeles (UCLA) and local DRC partners will produce a national scale biomass map for the entire forest coverage of the Democratic Republic of Congo (DRC) along with feasibility assessments of different forest protection measures within a framework of a REDD+ model project. The « Carbon Map and Model (CO2M&M) » project will produce a national forest biomass map for the DRC, which will enable quantitative assessments of carbon stocks and emissions in the largest forest of the Congo Basin. This effort will support the national REDD (Reducing Emissions from Deforestation and Degradation) program in DRC, which plays a major role in sustainable development and poverty alleviation. This map will be developed from field data, complemented by airborne LiDAR (Light Detection and Ranging) and aerial photos, systematically sampled throughout the forests of the DRC and up-scaled to satellite images to accurately estimate carbon content in all forested areas. The second component of the project is to develop specific approaches for model REDD projects in key landscapes. This project represents the largest LiDAR-derived mapping effort in Africa, under unprecedented logistical constraints, which will provide one of the poorest nations in the world with the richest airborne and satellites derived datasets for analyzing forest structure, biomass and biodiversity.

Reducing sojourn points from recurrence plots to improve transition detection: Application to fetal heart rate transitions.

PubMed

Zaylaa, Amira; Charara, Jamal; Girault, Jean-Marc

2015-08-01

The analysis of biomedical signals demonstrating complexity through recurrence plots is challenging. Quantification of recurrences is often biased by sojourn points that hide dynamic transitions. To overcome this problem, time series have previously been embedded at high dimensions. However, no one has quantified the elimination of sojourn points and rate of detection, nor the enhancement of transition detection has been investigated. This paper reports our on-going efforts to improve the detection of dynamic transitions from logistic maps and fetal hearts by reducing sojourn points. Three signal-based recurrence plots were developed, i.e. embedded with specific settings, derivative-based and m-time pattern. Determinism, cross-determinism and percentage of reduced sojourn points were computed to detect transitions. For logistic maps, an increase of 50% and 34.3% in sensitivity of detection over alternatives was achieved by m-time pattern and embedded recurrence plots with specific settings, respectively, and with a 100% specificity. For fetal heart rates, embedded recurrence plots with specific settings provided the best performance, followed by derivative-based recurrence plot, then unembedded recurrence plot using the determinism parameter. The relative errors between healthy and distressed fetuses were 153%, 95% and 91%. More than 50% of sojourn points were eliminated, allowing better detection of heart transitions triggered by gaseous exchange factors. This could be significant in improving the diagnosis of fetal state. Copyright © 2014 Elsevier Ltd. All rights reserved.

Optimal timing of pulse onset for language mapping with navigated repetitive transcranial magnetic stimulation.

PubMed

Krieg, Sandro M; Tarapore, Phiroz E; Picht, Thomas; Tanigawa, Noriko; Houde, John; Sollmann, Nico; Meyer, Bernhard; Vajkoczy, Peter; Berger, Mitchel S; Ringel, Florian; Nagarajan, Srikantan

2014-10-15

Within the primary motor cortex, navigated transcranial magnetic stimulation (nTMS) has been shown to yield maps strongly correlated with those generated by direct cortical stimulation (DCS). However, the stimulation parameters for repetitive nTMS (rTMS)-based language mapping are still being refined. For this purpose, the present study compares two rTMS protocols, which differ in the timing of pulse train onset relative to picture presentation onset during object naming. Results were the correlated with DCS language mapping during awake surgery. Thirty-two patients with left-sided perisylvian tumors were examined by rTMS prior to awake surgery. Twenty patients underwent rTMS pulse trains starting at 300 ms after picture presentation onset (delayed TMS), whereas another 12 patients received rTMS pulse trains starting at the picture presentation onset (ONSET TMS). These rTMS results were then evaluated for correlation with intraoperative DCS results as gold standard in terms of differential consistencies in receiver operating characteristics (ROC) statistics. Logistic regression analysis by protocols and brain regions were conducted. Within and around Broca's area, there was no difference in sensitivity (onset TMS: 100%, delayed TMS: 100%), negative predictive value (NPV) (onset TMS: 100%, delayed TMS: 100%), and positive predictive value (PPV) (onset TMS: 55%, delayed TMS: 54%) between the two protocols compared to DCS. However, specificity differed significantly (onset TMS: 67%, delayed TMS: 28%). In contrast, for posterior language regions, such as supramarginal gyrus, angular gyrus, and posterior superior temporal gyrus, early pulse train onset stimulation showed greater specificity (onset TMS: 92%, delayed TMS: 20%), NPV (onset TMS: 92%, delayed TMS: 57%) and PPV (onset TMS: 75%, delayed TMS: 30%) with comparable sensitivity (onset TMS: 75%, delayed TMS: 70%). Logistic regression analysis also confirmed the greater fit of the predictions by rTMS that had the pulse train onset coincident with the picture presentation onset when compared to the delayed stimulation. Analyses of differential disruption patterns of mapped cortical regions were further able to distinguish clusters of cortical regions standardly associated with semantic and pre-vocalization phonological networks proposed in various models of word production. Repetitive nTMS predictions by both protocols correlate well with DCS outcomes especially in Broca's region, particularly with regard to TMS negative predictions. With this study, we have demonstrated that rTMS stimulation onset coincident with picture presentation onset improves the accuracy of preoperative language maps, particularly within posterior language areas. Moreover, immediate and delayed pulse train onsets may have complementary disruption patterns that could differentially capture cortical regions causally necessary for semantic and pre-vocalization phonological networks. Published by Elsevier Inc.

Effect of feeding heat-treated colostrum on risk for infection with Mycobacterium avium ssp. paratuberculosis, milk production, and longevity in Holstein dairy cows.

PubMed

Godden, S M; Wells, S; Donahue, M; Stabel, J; Oakes, J M; Sreevatsan, S; Fetrow, J

2015-08-01

In summer 2007, a randomized controlled field trial was initiated on 6 large Midwest commercial dairy farms to investigate the effect of feeding heat-treated (HT) colostrum on transmission of Mycobacterium avium ssp. paratuberculosis (MAP) and on future milk production and longevity within the herd. On each farm, colostrum was collected daily from fresh cows, pooled, divided into 2 aliquots, and then 1 aliquot was heat-treated in a commercial batch pasteurizer at 60°C for 60min. A sample from each batch of colostrum was collected for PCR testing (MAP-positive vs. MAP-negative). Newborn heifer calves were removed from the dam within 30 to 60min of birth and systematically assigned to be fed 3.8 L of either fresh (FR; n=434) or heat-treated (HT; n=490) colostrum within 2h of birth. After reaching adulthood (>2 yr old), study animals were tested once annually for 3 yr (2010, 2011, 2012) for infection with MAP using serum ELISA and fecal culture. Lactation records describing milk production data and death or culling events were collected during the 3-yr testing period. Multivariable model logistic and linear regression was used to investigate the effect of feeding HT colostrum on risk for testing positive to MAP during the 3-yr testing period (positive/negative; logistic regression) and on first and second lactation milk yield (kg/cow; linear regression), respectively. Cox proportional hazards regression was used to investigate the effect of feeding HT colostrum on risk and time to removal from the herd. Fifteen percent of all study animals were fed PCR-positive colostrum. By the end of the 3-yr testing period, no difference was noted in the proportion of animals testing positive for MAP, with either serum ELISA or fecal culture, when comparing the HT group (10.5%) versus the FR group (8.1%). There was no effect of treatment on first- (HT=11.797kg; FR=11,671kg) or second-lactation (HT=11,013kg; FR=11,235kg) milk production. The proportion of cows leaving the herd by study conclusion was not different for animals originally fed HT (68.0%) versus FR (71.7%) colostrum. Although a previous study showed that feeding HT colostrum (60°C for 60min) produces short-term benefits, including improved passive transfer of IgG and reduced morbidity in the preweaning period, the current study found no benefit of feeding HT colostrum on long-term outcomes including risk for transmission of Mycobacterium avium ssp. paratuberculosis, milk production in the first and second lactation, and longevity within the herd. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

An algorithm for automated layout of process description maps drawn in SBGN.

PubMed

Genc, Begum; Dogrusoz, Ugur

2016-01-01

Evolving technology has increased the focus on genomics. The combination of today's advanced techniques with decades of molecular biology research has yielded huge amounts of pathway data. A standard, named the Systems Biology Graphical Notation (SBGN), was recently introduced to allow scientists to represent biological pathways in an unambiguous, easy-to-understand and efficient manner. Although there are a number of automated layout algorithms for various types of biological networks, currently none specialize on process description (PD) maps as defined by SBGN. We propose a new automated layout algorithm for PD maps drawn in SBGN. Our algorithm is based on a force-directed automated layout algorithm called Compound Spring Embedder (CoSE). On top of the existing force scheme, additional heuristics employing new types of forces and movement rules are defined to address SBGN-specific rules. Our algorithm is the only automatic layout algorithm that properly addresses all SBGN rules for drawing PD maps, including placement of substrates and products of process nodes on opposite sides, compact tiling of members of molecular complexes and extensively making use of nested structures (compound nodes) to properly draw cellular locations and molecular complex structures. As demonstrated experimentally, the algorithm results in significant improvements over use of a generic layout algorithm such as CoSE in addressing SBGN rules on top of commonly accepted graph drawing criteria. An implementation of our algorithm in Java is available within ChiLay library (https://github.com/iVis-at-Bilkent/chilay). ugur@cs.bilkent.edu.tr or dogrusoz@cbio.mskcc.org Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press.

An algorithm for automated layout of process description maps drawn in SBGN

PubMed Central

Genc, Begum; Dogrusoz, Ugur

2016-01-01

Motivation: Evolving technology has increased the focus on genomics. The combination of today’s advanced techniques with decades of molecular biology research has yielded huge amounts of pathway data. A standard, named the Systems Biology Graphical Notation (SBGN), was recently introduced to allow scientists to represent biological pathways in an unambiguous, easy-to-understand and efficient manner. Although there are a number of automated layout algorithms for various types of biological networks, currently none specialize on process description (PD) maps as defined by SBGN. Results: We propose a new automated layout algorithm for PD maps drawn in SBGN. Our algorithm is based on a force-directed automated layout algorithm called Compound Spring Embedder (CoSE). On top of the existing force scheme, additional heuristics employing new types of forces and movement rules are defined to address SBGN-specific rules. Our algorithm is the only automatic layout algorithm that properly addresses all SBGN rules for drawing PD maps, including placement of substrates and products of process nodes on opposite sides, compact tiling of members of molecular complexes and extensively making use of nested structures (compound nodes) to properly draw cellular locations and molecular complex structures. As demonstrated experimentally, the algorithm results in significant improvements over use of a generic layout algorithm such as CoSE in addressing SBGN rules on top of commonly accepted graph drawing criteria. Availability and implementation: An implementation of our algorithm in Java is available within ChiLay library (https://github.com/iVis-at-Bilkent/chilay). Contact: ugur@cs.bilkent.edu.tr or dogrusoz@cbio.mskcc.org Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26363029

Mapping Distant Continental Influences in the Remote Pacific Atmosphere; Simulations of CO Relevant to the Photochemistry of Oxidants

NASA Technical Reports Server (NTRS)

Chatfield Robert B.; Guo, Z.; Sachse, G.; Singh, H.; Hipskind, R. Stephen (Technical Monitor)

2000-01-01

An animated sequence of maps of simulated carbon monoxide concentrations graphically portrays the extent of residual continental influence upon the tropical Pacific Ocean as studied by NASA aircraft during the PEM-Tropics B intensive sampling campaign. We used the MM5 at a 90 km resolution in a globally wrapped grid to simulate the meteorology of transport, and our GRACES model to follow the basic chemistry. The CO we simulate derives from different sources, and so we distinguish anthropogenic, natural terpenoid oxidation, biomass burning, and pervasive CH4-oxidation influences. "Influence" is always judged with an implicit timescale, and these maps describe influence on the 15-45 day timescale appropriate for CO oxidation. In consequence, the maps are useful in assessing the origins of slowly reacting compounds like acetone, methanol, and the lightest hydrocarbons. At 8 km altitude, The Eastern South Pacific to ca. 130 W (eastern Polynesia) was frequently affected by continental influences but NASA's DC-8's flight path did not happen to take it into these regions very often. Near the surface, continentally influenced air crossed into t he Western South Pacific, in the region northwest of the Southern Pacific Convergence Zone but south of the Intertropical Convergence Zone. This air originated from the NE Pacific, and partly from North America. Comparisons are made to CO and other compounds measured aboard the DC-8 and the P-3 aircraft. We will also use tracers to describe the influence of marine convection in the upper troposphere. As time allows, we will discuss the "age" of ozone within the very cleanest region sampled in portions of the near-equatorial Western South Pacific, using a simple chemical mechanism for ozone levels. These simulations describe the chemistry of an atmosphere with very low ozone.

A comparative study to evaluate natural attenuation, mycoaugmentation, phytoremediation, and microbial-assisted phytoremediation strategies for the bioremediation of an aged PAH-polluted soil.

PubMed

García-Sánchez, Mercedes; Košnář, Zdeněk; Mercl, Filip; Aranda, Elisabet; Tlustoš, Pavel

2018-01-01

Biological treatments are considered an environmentally option to clean-up polluted soil with polycyclic aromatic hydrocarbons (PAHs). A pot experiment was conducted to comparatively evaluate four different strategies, including natural attenuation (NA), mycoaugmentation (M) by using Crucibulum leave, phytoremediation (P) using maize plants, and microbial-assisted phytoremediation (MAP) for the bioremediation of an aged PAH-polluted soil at 180 days. The P treatment had higher affinity degrading 2-3 and 4 ring compounds than NA and M treatments, respectively. However, M and P treatments were more efficient in regards to naphthalene, indeno[l,2,3-c,d]pyrene and benzo[g,h,i]perylene degradation respect to NA. However, 4, 5-6 rings undergo a strong decline during the microbe-assisted phytoremediation, being the treatment which determined the highest rates of PAHs degradation. Sixteen PAH compounds, except fluorene and dibenzo[a,h]anthracene, were found in maize roots, whereas the naphthalene, phenanthrene, anthracene, fluoranthene, and pyrene were accumulated in the shoots, in both P and MAP treatments. However, higher PAH content in maize biomass was achieved during the MAP treatment respect to P treatment. The bioconversion and translocation factors were less than 1, indicating that phystabilization/phytodegradation processes occurred rather than phytoextraction. The microbial biomass, activity and ergosterol content were significantly boosted in the MAP treatment respect to the other treatments at 180 days. Ours results demonstrated that maize-C. laeve association was the most profitable technique for the treatment of an aged PAH-polluted soil when compared to other bioremediation approaches. Copyright © 2017 Elsevier Inc. All rights reserved.

Effects of Nickel Treatment on H3K4 Trimethylation and Gene Expression

PubMed Central

Tchou-Wong, Kam-Meng; Kluz, Thomas; Arita, Adriana; Smith, Phillip R.; Brown, Stuart; Costa, Max

2011-01-01

Occupational exposure to nickel compounds has been associated with lung and nasal cancers. We have previously shown that exposure of the human lung adenocarcinoma A549 cells to NiCl2 for 24 hr significantly increased global levels of trimethylated H3K4 (H3K4me3), a transcriptional activating mark that maps to the promoters of transcribed genes. To further understand the potential epigenetic mechanism(s) underlying nickel carcinogenesis, we performed genome-wide mapping of H3K4me3 by chromatin immunoprecipitation and direct genome sequencing (ChIP-seq) and correlated with transcriptome genome-wide mapping of RNA transcripts by massive parallel sequencing of cDNA (RNA-seq). The effect of NiCl2 treatment on H3K4me3 peaks within 5,000 bp of transcription start sites (TSSs) on a set of genes highly induced by nickel in both A549 cells and human peripheral blood mononuclear cells were analyzed. Nickel exposure increased the level of H3K4 trimethylation in both the promoters and coding regions of several genes including CA9 and NDRG1 that were increased in expression in A549 cells. We have also compared the extent of the H3K4 trimethylation in the absence and presence of formaldehyde crosslinking and observed that crosslinking of chromatin was required to observe H3K4 trimethylation in the coding regions immediately downstream of TSSs of some nickel-induced genes including ADM and IGFBP3. This is the first genome-wide mapping of trimethylated H3K4 in the promoter and coding regions of genes induced after exposure to NiCl2. This study may provide insights into the epigenetic mechanism(s) underlying the carcinogenicity of nickel compounds. PMID:21455298

The dose-response relationship between the patch test and ROAT and the potential use for regulatory purposes.

PubMed

Fischer, Louise Arup; Voelund, Aage; Andersen, Klaus Ejner; Menné, Torkil; Johansen, Jeanne Duus

2009-10-01

Allergic contact dermatitis is common and can be prevented. The relationship between thresholds for patch tests and the repeated open application test (ROAT) is unclear. It would be desirable if patch test and ROAT data from already sensitized individuals could be used in prevention. The aim was to develop an equation that could predict the response to an allergen in a ROAT based on the dose-response curve derived by patch testing. Results from two human experimental elicitation studies with non-volatile allergens, nickel and the preservative methyldibromo glutaronitrile (MDBGN), were analysed by logistic dose-response statistics. The relation for volatile compounds was investigated using the results from experiments with the fragrance chemicals hydroxyisohexyl 3-cyclohexene carboxaldehyde and isoeugenol. For non-volatile compounds, the outcome of a ROAT can be estimated from the patch test by: ED(xx)(ROAT) = 0.0296 ED(xx)(patch test). For volatile compounds, the equation predicts that the response in the ROAT is more severe than the patch test response, but it overestimates the response. This equation may be used for non-volatile compounds other than nickel and MDBGN, after further validation. The relationship between the patch test and the ROAT can be used for prevention, to set safe levels of allergen exposure based on patch test data.

MAP Attitude Control System Design and Flight Performance

NASA Technical Reports Server (NTRS)

Andrews, S. F.; ODonnell, J. R.; Bauer, Frank H. (Technical Monitor)

2002-01-01

The Microwave Anisotropy Probe (MAP) is a follow-on to the Differential Microwave Radiometer (DMR) instrument on the Cosmic Background Explorer (COBE) spacecraft. To make a full-sky map of cosmic microwave background fluctuations, a combination fast spin and slow precession motion will be used that will cover the entire celestial sphere in six months. The spin rate should be an order of magnitude higher than the precession rate, and each rate should be tightly controlled. The sunline angle should be 22.5 +/- 0.25 deg. Sufficient attitude knowledge must be provided to yield instrument pointing to a standard deviation of 1.3 arc-minutes RSS three axes. In addition, the spacecraft must be able to acquire and hold the sunline at initial acquisition, and in the event of a failure. Finally. the spacecraft must be able to slew to the proper burn orientations and to the proper off-sunline attitude to start the compound spin. The design and flight performance of the Attitude Control System on MAP that meets these requirements will be discussed.

Geologic map and digital database of the Romoland 7.5' quadrangle, Riverside County, California

USGS Publications Warehouse

Morton, Douglas M.; Digital preparation by Bovard, Kelly R.; Morton, Gregory

2003-01-01

Portable Document Format (.pdf) files of: This Readme; includes in Appendix I, data contained in rom_met.txt The same graphic as plotted in 2 above. Test plots have not produced precise 1:24,000- scale map sheets. Adobe Acrobat page size setting influences map scale. The Correlation of Map Units and Description of Map Units is in the editorial format of USGS Geologic Investigations Series (I-series) maps but has not been edited to comply with I-map standards. Within the geologic map data package, map units are identified by standard geologic map criteria such as formationname, age, and lithology. Where known, grain size is indicated on the map by a subscripted letter or letters following the unit symbols as follows: lg, large boulders; b, boulder; g, gravel; a, arenaceous; s, silt; c, clay; e.g. Qyfa is a predominantly young alluvial fan deposit that is arenaceous. Multiple letters are used for more specific identification or for mixed units, e.g., Qfysa is a silty sand. In some cases, mixed units are indicated by a compound symbol; e.g., Qyf2sc. Even though this is an Open-File Report and includes the standard USGS Open-File disclaimer, the report closely adheres to the stratigraphic nomenclature of the U.S. Geological Survey. Descriptions of units can be obtained by viewing or plotting the .pdf file (3b above) or plotting the postscript file (2 above). This Readme file describes the digital data, such as types and general contents of files making up the database, and includes information on how to extract and plot the map and accompanying graphic file. Metadata information can be accessed at http://geo-nsdi.er.usgs.gov/metadata/open-file/03-102 and is included in Appendix I of this Readme.

Rapid Reconnaissance Mapping of Volatile Organic Compounds by Photoionization Detection at the USGS Amargosa Desert Research Site

NASA Astrophysics Data System (ADS)

Thordsen, J. J.; Stonestrom, D. A.; Conaway, C. H.; Luo, W.; Baker, R. J.; Andraski, B. J.

2015-12-01

Two types of handheld photoionization detectors were evaluated in April 2015 for reconnaissance mapping of volatile organic compounds (VOCs) in the unsaturated zone surrounding legacy disposal trenches for commercial low-level radioactive waste near Beatty, Nevada (USA). This method is rapid and cost effective when compared to the more conventional procedure used ate the site, where VOCs are collected on sorbent cartridges in the field followed by thermal desorption, gas chromatographic separation, and quantitation by mass spectroscopy in the laboratory (TD-GC-MS analysis). Using the conventional method, more than sixty distinct compounds have been identified in the 110-m deep unsaturated zone vapor phase, and the changing nature of the VOC mix over a 15-yr timeframe has been recorded. Analyses to date have identified chlorofluorocarbons (CFCs), chlorinated ethenes, chlorinated ethanes, gasoline-range hydrocarbons, chloroform, and carbon tetrachloride as the main classes of VOCs present. The VOC plumes emanating from the various subgroups of trenches are characterized by different relative abundances of the compound classes, and total VOC concentrations that cover several orders of magnitude. One of the photoionization detectors, designed for industrial compliance testing, lacked sufficient dynamic range and sensitivity to be useful. The other, a wide range (1 ppb-20,000 ppm) research-grade instrument with a 10.6 eV photoionization detector (PID) lamp, produced promising results, detecting roughly half of the non-CFC VOCs present. The rapid and inexpensive photoionization method is envisioned as a screening tool to supplement, expedite, and direct the collection of additional samples for TD-GC-MS analyses at this and other VOC-contaminated sites.

Associations of dioxins, furans and dioxin-like PCBs with diabetes and pre-diabetes: is the toxic equivalency approach useful?

PubMed

Everett, Charles J; Thompson, Olivia M

2012-10-01

Toxic equivalency factors for dioxins and dioxin-like compounds have been established by the World Health Organization. Toxic equivalency (TEQ) was derived using 6 chlorinated dibenzo-p-dioxins, 9 chlorinated dibenzofurans and 8 polychlorinated biphenyls, in blood, from the 1999-2004 National Health and Nutrition Examination Survey. Relationships of 8 individual chemicals, the number of compounds elevated, and TEQ with pre-diabetes and total diabetes (diagnosed and undiagnosed) were investigated using logistic regressions. For the 8 chemicals analyzed separately, values above the 75th percentile were considered elevated, whereas for the other 15 compounds, values above the maximum limit of detection were considered elevated. Pre-diabetes with glycohemoglobin (A1c) 5.9-6.4% was associated with PCB 126, PCB 118 and having one or more compounds elevated (odds ratio 2.47, 95% CI 1.51-4.06). Pre-diabetes with A1c 5.7-5.8% was not associated with any individual chemical or the number of compounds elevated. Total diabetes was associated with 6 of the 8 individual compounds tested, and was associated with having 4 or more compounds elevated. Toxic equivalency ≥81.58 TEQ fg/g was associated with total diabetes (odds ratio 3.08, 95% CI 1.20-7.90), but was not associated with A1c 5.9-6.4%. Having multiple compounds elevated appeared to be important for total diabetes, whereas for pre-diabetes with A1c 5.9-6.4%, having a single compound elevated appeared most important. Diabetes plus A1c ≥5.9% was associated with 34.16-81.57 TEQ fg/g (odds ratio 2.00, 95% CI 1.06-3.77) and with ≥81.58 TEQ fg/g (odds ratio 2.48, 95% CI 1.21-5.11), indicating that half the population has elevated risk for this combination of conditions. Copyright © 2012 Elsevier Inc. All rights reserved.

Synergistic effect of pulsed electric fields and CocoanOX 12% on the inactivation kinetics of Bacillus cereus in a mixed beverage of liquid whole egg and skim milk.

PubMed

Pina-Pérez, M C; Silva-Angulo, A B; Rodrigo, D; Martínez-López, A

2009-04-15

With a view to extending the shelf-life and enhancing the safety of liquid whole egg/skim milk (LWE-SM) mixed beverages, a study was conducted with Bacillus cereus vegetative cells inoculated in skim milk (SM) and LWE-SM beverages, with or without antimicrobial cocoa powder. The beverages were treated with Pulsed Electric Field (PEF) technology and then stored at 5 degrees C for 15 days. The kinetic results were modeled with the Bigelow model, Weibull distribution function, modified Gompertz equation, and Log-logistic models. Maximum inactivation registered a reduction of around 3 log cycles at 40 kV/cm, 360 micros, 20 degrees C in both the SM and LWE-SM beverages. By contrast, in the beverages supplemented with the aforementioned antimicrobial compound, higher inactivation levels were obtained under the same treatment conditions, reaching a 3.30 log(10) cycle reduction. The model affording the best fit for all four beverages was the four-parameter Log-logistic model. After 15 days of storage, the antimicrobial compound lowered Bacillus cereus survival rates in the samples supplemented with CocoanOX 12% by a 4 log cycle reduction, as compared to the untreated samples without CocoanOX 12%. This could indicate that the PEF-antimicrobial combination has a synergistic effect on the bacterial cells under study, increasing their sensitivity to subsequent refrigerated storage.

[New drugs of abuse on the Web: the role of the Psychonaut Web Mapping Project].

PubMed

Schifano, Fabrizio; Ricciardi, Alessandra; Corazza, Ornella; Deluca, Paolo; Davey, Zoe; Rafanelli, Chiara

2010-01-01

In the rapid change of drug scenarios, as the powerful development in the drug market, particularly in the number and the kind of the compound available, Internet plays a dominant role to become one of the major "drug market". The European Commission funded the Psychonaut Web Mapping Project (carried out in the time-frame January 2008-December 2009), with the aim to start/implement an Early Warning System (through the data/information collected from the Web virtual market), to identify and categorise novel recreational drugs/psychoactive compounds (synthetical/herbal drugs), and new trends in drug use to provide information for immediate and prevention intervention. The Psychonaut is a multi-site research project involving 8 research centres (De Sleutel, Belgium; University of Hertfordshire School of Pharmacy, St George's University of London, England; A-klinikkasäätiö, Finlandia; Klinik für Psychiatrie und Psychotherapie, Germany; Assessorato Salute Regione Marche, Italy; Drug Abuse Unit, Spain; Centre of Competence Bergen Clinics Foundation, Norway) based in 7 European Countries (England, Italy, Belgium, Finland, Germany, Spain, Norway).

Monitoring of polycyclic aromatic hydrocarbons on agricultural lands surrounding Tehran oil refinery.

PubMed

Bayat, J; Hashemi, S H; Khoshbakht, K; Deihimfard, R; Shahbazi, A; Momeni-Vesalian, R

2015-07-01

Soil samples at two depths were collected and analyzed to determine the concentrations of 16 polycyclic aromatic hydrocarbons (PAHs), organic carbon, and soil pH. The Σ16PAHs were 0.13 to 3.92 mg kg(-1) at depth 1 and 0.21 to 50.32 mg kg(-1)at depth 2. The averages of the PAH compounds indicate that the area is contaminated with oil, and this pollution was greater at depth 2. Interpolation maps showed that the southern region, especially at depth 2, has been contaminated more by anthropogenic activity. The diagnostic ratios indicate several sources of pollution of the agricultural soil. A comparison of average PAHs and standard values revealed that higher molecular weight compounds in the topsoil (InP and BghiP) and subsoil (BaA, BkF, BaP, DBA, and BghiP) exceed standard values for farmland. The pH interpolation map for both depths showed that most of the area has alkaline soil from long-term irrigation with untreated urban wastewater.

Rapid Scanning Structure-Activity Relationships in Combinatorial Data Sets: Identification of Activity Switches

PubMed Central

Medina-Franco, José L.; Edwards, Bruce S.; Pinilla, Clemencia; Appel, Jon R.; Giulianotti, Marc A.; Santos, Radleigh G.; Yongye, Austin B.; Sklar, Larry A.; Houghten, Richard A.

2013-01-01

We present a general approach to describe the structure-activity relationships (SAR) of combinatorial data sets with activity for two biological endpoints with emphasis on the rapid identification of substitutions that have a large impact on activity and selectivity. The approach uses Dual-Activity Difference (DAD) maps that represent a visual and quantitative analysis of all pairwise comparisons of one, two, or more substitutions around a molecular template. Scanning the SAR of data sets using DAD maps allows the visual and quantitative identification of activity switches defined as specific substitutions that have an opposite effect on the activity of the compounds against two targets. The approach also rapidly identifies single- and double-target R-cliffs, i.e., compounds where a single or double substitution around the central scaffold dramatically modifies the activity for one or two targets, respectively. The approach introduced in this report can be applied to any analogue series with two biological activity endpoints. To illustrate the approach, we discuss the SAR of 106 pyrrolidine bis-diketopiperazines tested against two formylpeptide receptors obtained from positional scanning deconvolution methods of mixture-based libraries. PMID:23705689

Biochemical Screening of Five Protein Kinases from Plasmodium falciparum against 14,000 Cell-Active Compounds

PubMed Central

Crowther, Gregory J.; Hillesland, Heidi K.; Keyloun, Katelyn R.; Reid, Molly C.; Lafuente-Monasterio, Maria Jose; Ghidelli-Disse, Sonja; Leonard, Stephen E.; He, Panqing; Jones, Jackson C.; Krahn, Mallory M.; Mo, Jack S.; Dasari, Kartheek S.; Fox, Anna M. W.; Boesche, Markus; El Bakkouri, Majida; Rivas, Kasey L.; Leroy, Didier; Hui, Raymond; Drewes, Gerard; Maly, Dustin J.; Van Voorhis, Wesley C.; Ojo, Kayode K.

2016-01-01

In 2010 the identities of thousands of anti-Plasmodium compounds were released publicly to facilitate malaria drug development. Understanding these compounds’ mechanisms of action—i.e., the specific molecular targets by which they kill the parasite—would further facilitate the drug development process. Given that kinases are promising anti-malaria targets, we screened ~14,000 cell-active compounds for activity against five different protein kinases. Collections of cell-active compounds from GlaxoSmithKline (the ~13,000-compound Tres Cantos Antimalarial Set, or TCAMS), St. Jude Children’s Research Hospital (260 compounds), and the Medicines for Malaria Venture (the 400-compound Malaria Box) were screened in biochemical assays of Plasmodium falciparum calcium-dependent protein kinases 1 and 4 (CDPK1 and CDPK4), mitogen-associated protein kinase 2 (MAPK2/MAP2), protein kinase 6 (PK6), and protein kinase 7 (PK7). Novel potent inhibitors (IC50 < 1 μM) were discovered for three of the kinases: CDPK1, CDPK4, and PK6. The PK6 inhibitors are the most potent yet discovered for this enzyme and deserve further scrutiny. Additionally, kinome-wide competition assays revealed a compound that inhibits CDPK4 with few effects on ~150 human kinases, and several related compounds that inhibit CDPK1 and CDPK4 yet have limited cytotoxicity to human (HepG2) cells. Our data suggest that inhibiting multiple Plasmodium kinase targets without harming human cells is challenging but feasible. PMID:26934697

Pressor mechanism evaluation for phytochemical compounds using in silico compound-protein interaction prediction.

PubMed

He, Min; Cao, Dong-Sheng; Liang, Yi-Zeng; Li, Ya-Ping; Liu, Ping-Le; Xu, Qing-Song; Huang, Ren-Bin

2013-10-01

In this study, a method was applied to evaluate pressor mechanisms through compound-protein interactions. Our method assumed that the compounds with different pressor mechanisms should bind to different target proteins, and thereby these mechanisms could be differentiated using compound-protein interactions. Twenty-six phytochemical components and 46 tested target proteins related to blood pressure (BP) elevation were collected. Then, in silico compound-protein interactions prediction probabilities were calculated using a random forest model, which have been implemented in a web server, and the credibility was judged using related literature and other methods. Further, a heat map was constructed, it clearly showed different prediction probabilities accompanied with hierarchical clustering analysis results. Followed by a compound-protein interaction network was depicted according to the results, we can see the connectivity layout of phytochemical components with different target proteins within the BP elevation network, which guided the hypothesis generation of poly-pharmacology. Lastly, principal components analysis (PCA) was carried out upon the prediction probabilities, and pressor targets could be divided into three large classes: neurotransmitter receptors, hormones receptors and monoamine oxidases. In addition, steroid glycosides seem to be close to the region of hormone receptors, and a weak difference existed between them. This work explored the possibility for pharmacological or toxicological mechanism classification using compound-protein interactions. Such approaches could also be used to deduce pharmacological or toxicological mechanisms for uncharacterized compounds. Copyright © 2013 Elsevier Inc. All rights reserved.

A landslide susceptibility map of Africa

NASA Astrophysics Data System (ADS)

Broeckx, Jente; Vanmaercke, Matthias; Duchateau, Rica; Poesen, Jean

2017-04-01

Studies on landslide risks and fatalities indicate that landslides are a global threat to humans, infrastructure and the environment, certainly in Africa. Nonetheless our understanding of the spatial patterns of landslides and rockfalls on this continent is very limited. Also in global landslide susceptibility maps, Africa is mostly underrepresented in the inventories used to construct these maps. As a result, predicted landslide susceptibilities remain subject to very large uncertainties. This research aims to produce a first continent-wide landslide susceptibility map for Africa, calibrated with a well-distributed landslide dataset. As a first step, we compiled all available landslide inventories for Africa. This data was supplemented by additional landslide mapping with Google Earth in underrepresented regions. This way, we compiled 60 landslide inventories from the literature (ca. 11000 landslides) and an additional 6500 landslides through mapping in Google Earth (including 1500 rockfalls). Various environmental variables such as slope, lithology, soil characteristics, land use, precipitation and seismic activity, were investigated for their significance in explaining the observed spatial patterns of landslides. To account for potential mapping biases in our dataset, we used Monte Carlo simulations that selected different subsets of mapped landslides, tested the significance of the considered environmental variables and evaluated the performance of the fitted multiple logistic regression model against another subset of mapped landslides. Based on these analyses, we constructed two landslide susceptibility maps for Africa: one for all landslide types and one excluding rockfalls. In both maps, topography, lithology and seismic activity were the most significant variables. The latter factor may be surprising, given the overall limited degree of seismicity in Africa. However, its significance indicates that frequent seismic events may serve as in important preparatory factor for landslides. This finding concurs with several other recent studies. Rainfall explains a significant, but limited part of the observed landslide pattern and becomes insignificant when also rockfalls are considered. This may be explained by the fact that a significant fraction of the mapped rockfalls occurred in the Sahara desert. Overall, both maps perform well in predicting intra-continental patterns of mass movements in Africa and explain about 80% of the observed variance in landslide occurrence. As a result, these maps may be a valuable tool for planning and risk reduction strategies.

CANDO and the infinite drug discovery frontier

PubMed Central

Minie, Mark; Chopra, Gaurav; Sethi, Geetika; Horst, Jeremy; White, George; Roy, Ambrish; Hatti, Kaushik; Samudrala, Ram

2014-01-01

The Computational Analysis of Novel Drug Opportunities (CANDO) platform (http://protinfo.org/cando) uses similarity of compound–proteome interaction signatures to infer homology of compound/drug behavior. We constructed interaction signatures for 3733 human ingestible compounds covering 48,278 protein structures mapping to 2030 indications based on basic science methodologies to predict and analyze protein structure, function, and interactions developed by us and others. Our signature comparison and ranking approach yielded benchmarking accuracies of 12–25% for 1439 indications with at least two approved compounds. We prospectively validated 49/82 ‘high value’ predictions from nine studies covering seven indications, with comparable or better activity to existing drugs, which serve as novel repurposed therapeutics. Our approach may be generalized to compounds beyond those approved by the FDA, and can also consider mutations in protein structures to enable personalization. Our platform provides a holistic multiscale modeling framework of complex atomic, molecular, and physiological systems with broader applications in medicine and engineering. PMID:24980786

3D-QSAR and docking studies on 1-hydroxypyridin-2-one compounds as mutant isocitrate dehydrogenase 1 inhibitors

NASA Astrophysics Data System (ADS)

Wang, Zhenya; Chang, Yiqun; Han, Yushui; Liu, Kangjia; Hou, Jinsong; Dai, Chengli; Zhai, Yuanhao; Guo, Jialiang; Sun, Pinghua; Lin, Jing; Chen, Weimin

2016-11-01

Mutation of isocitrate dehydrogenase 1 (IDH1) which is frequently found in certain cancers such as glioma, sarcoma and acute myeloid leukemia, has been proven to be a potent drug target for cancer therapy. In silico methodologies such as 3D-QSAR and molecular docking were performed to explore compounds with better mutant isocitrate dehydrogenase 1 (MIDH1) inhibitory activity using a series of 40 newly reported 1-hydroxypyridin-2-one compounds as MIDH1 inhibitors. The satisfactory CoMFA and CoMSIA models obtained after internal and external cross-validation gave q2 values of 0.691 and 0.535, r2 values of 0.984 and 0.936, respectively. 3D contour maps generated from CoMFA and CoMSIA along with the docking results provided information about the structural requirements for better MIDH1 inhibitory activity. Based on the structure-activity relationship, 17 new potent molecules with better predicted activity than the most active compound in the literature have been designed.

Specificity profiling of protein-binding domains using one-bead-one-compound Peptide libraries.

PubMed

Kunys, Andrew R; Lian, Wenlong; Pei, Dehua

2012-12-01

One-bead-one-compound (OBOC) libraries consist of structurally related compounds (e.g., peptides) covalently attached to a solid support, with each resin bead carrying a unique compound. OBOC libraries of high structural diversity can be rapidly synthesized and screened without the need for any special equipment, and therefore can be employed in any chemical or biochemical laboratory. OBOC peptide libraries have been widely used to map the ligand specificity of proteins, to determine the substrate specificity of enzymes, and to develop inhibitors against macromolecular targets. They have proven particularly useful in profiling the binding specificity of protein modular domains (e.g., SH2 domains, BIR domains, and PDZ domains); subsequently, the specificity information can be used to predict the protein targets of these domains. The protocols outlined in this article describe the methodologies for synthesizing and screening OBOC peptide libraries against SH2 and PDZ domains, and the related data analysis. Curr. Protoc. Chem. Biol. 4:331-355 © 2012 by John Wiley & Sons, Inc.

Identification of a Hydrophobic Cleft in the LytTR Domain of AgrA as a Locus for Small Molecule Interactions that Inhibit DNA Binding

PubMed Central

Leonard, Paul G.; Bezar, Ian F.; Sidote, David J.; Stock, Ann M.

2012-01-01

The AgrA transcription factor regulates the quorum-sensing response in Staphylococcus aureus, controlling the production of hemolysins and other virulence factors. AgrA binds to DNA via its C-terminal LytTR domain, a domain not found in humans but common in many pathogenic bacteria, making it a potential target for antimicrobial development. We have determined the crystal structure of the apo AgrA LytTR domain and screened a library of 500 fragment compounds to find inhibitors of AgrA DNA-binding activity. Using NMR, the binding site for five compounds has been mapped to a common locus at the C-terminal end of the LytTR domain, a site known to be important for DNA-binding activity. Three of these compounds inhibit AgrA DNA binding. These results provide the first evidence that LytTR domains can be targeted by small organic compounds. PMID:23181972

Speckle noise attenuation in optical coherence tomography by compounding images acquired at different positions of the sample

NASA Astrophysics Data System (ADS)

Popescu, Dan P.; Hewko, Mark D.; Sowa, Michael G.

2007-01-01

This study demonstrates a simple method for attenuating the speckle noise generated by coherent multiple-scattered photons in optical-coherence tomography images. The method could be included among the space-diversity techniques used for speckle reduction. It relies on displacing the sample along a weakly focused beam in the sample arm of the interferometer, acquiring a coherent image for each sample position and adding the individual images to form a compounded image. It is proven that the compounded image displays a reduction in the speckle noise generated by multiple scattered photons and an enhancement in the intensity signal caused by single-backscattered photons. To evaluate its potential biomedical applications, the method is used to investigate in vitro a caries lesion affecting the enamel layer of a wisdom tooth. Because of the uncorrelated nature of the speckle noise the compounded image provides a better mapping of the lesion compared to a single (coherent) image.

Synthesis of iboga-like isoquinuclidines: Dual opioid receptors agonists having antinociceptive properties.

PubMed

Banerjee, Tuhin Suvro; Paul, Sibasish; Sinha, Surajit; Das, Sumantra

2014-11-01

Some novel iboga-analogues consisting of benzofuran moiety and dehydroisoquinuclidine ring connected by -CH2-, (CH2)2 and (CH2)3 linkers have been synthesized with the view to develop potential antinociceptive drugs. The compounds 14 and 21 showed binding at the μ-opioid receptor (MOR), while the compound 11a exhibited dual affinities at both MOR and κ-opioid receptor (KOR). MAP kinase activation indicated all three compounds have opioid agonistic properties. The presence of a double bond and endo-methylcarboxylate group in the dehydroisoquinuclidine ring and the benzofuran and methylene spacer appeared to be essential for opioid receptor binding. Further studies demonstrated 11a caused significant antinociception in mice in the hot-plate test which was comparable to that produced by morphine. The compound 11a was also found to be nontremorigenic unlike various iboga congeners. This study identifies a new pharmacophore which may lead to the development of suitable substitute of morphine in the treatment of pain. Copyright © 2014 Elsevier Ltd. All rights reserved.

Generalized nonimaging compound elliptical and compound hyperbolic luminaire designs for pair-overlap illumination applications.

PubMed

Georlette, O; Gordon, J M

1994-07-01

Generalized nonimaging compound elliptical luminaires (CEL's) and compound hyperbolic luminaires (CHL's) are developed for pair-overlap illumination applications. A comprehensive analysis of CEL's and CHL's is presented. This includes the possibility of reflector truncation, as well as the extreme direction that spans the full range from positive to negative. Negative extreme direction devices have been overlooked in earlier studies and are shown to be well suited to illumination problems for which large cutoff angles are required. Flux maps can be calculated analytically without the need for computer ray tracing. It is demonstrated that, for a broad range of cutoff angles, adjacent pairs of CEL's and CHL's can generate highly uniform far-field illuminance while maintaining maximal lighting efficiency and excellent glare control. The trade-off between luminaire compactness and flux homogeneity is also illustrated. For V troughs, being a special case of CHL's and being well suited to simple, inexpensive fabri ation, we identify geometries that closely approach the performance characteristics of the optimized CEL's and CHL's.

Implementation of an i.v.-compounding robot in a hospital-based cancer center pharmacy.

PubMed

Yaniv, Angela W; Knoer, Scott J

2013-11-15

The implementation of a robotic device for compounding patient-specific chemotherapy doses is described, including a review of data on the robot's performance over a 13-month period. The automated system prepares individualized i.v. chemotherapy doses in a variety of infusion bags and syringes; more than 50 drugs are validated for use in the machine. The robot is programmed to recognize the physical parameters of syringes and vials and uses photographic identification, barcode identification, and gravimetric measurements to ensure that the correct ingredients are compounded and the final dose is accurate. The implementation timeline, including site preparation, logistics planning, installation, calibration, staff training, development of a pharmacy information system (PIS) interface, and validation by the state board of pharmacy, was about 10 months. In its first 13 months of operation, the robot was used to prepare 7384 medication doses; 85 doses (1.2%) found to be outside the desired accuracy range (±4%) were manually modified by pharmacy staff. Ongoing system monitoring has identified mechanical and materials-related problems including vial-recognition failures (in many instances, these issues were resolved by the system operator and robotic compounding proceeded successfully), interface issues affecting robot-PIS communication, and human errors such as the loading of an incorrect vial or bag into the machine. Through staff training, information technology improvements, and workflow adjustments, the robot's throughput has been steadily improved. An i.v.-compounding robot was successfully implemented in a cancer center pharmacy. The robot performs compounding tasks safely and accurately and has been integrated into the pharmacy's workflow.

A probabilistic model for deriving soil quality criteria based on secondary poisoning of top predators. I. Model description and uncertainty analysis.

PubMed

Traas, T P; Luttik, R; Jongbloed, R H

1996-08-01

In previous studies, the risk of toxicant accumulation in food chains was used to calculate quality criteria for surface water and soil. A simple algorithm was used to calculate maximum permissable concentrations [MPC = no-observed-effect concentration/bioconcentration factor(NOEC/BCF)]. These studies were limited to simple food chains. This study presents a method to calculate MPCs for more complex food webs of predators. The previous method is expanded. First, toxicity data (NOECs) for several compounds were corrected for differences between laboratory animals and animals in the wild. Second, for each compound, it was assumed these NOECs were a sample of a log-logistic distribution of mammalian and avian NOECs. Third, bioaccumulation factors (BAFs) for major food items of predators were collected and were assumed to derive from different log-logistic distributions of BAFs. Fourth, MPCs for each compound were calculated using Monte Carlo sampling from NOEC and BAF distributions. An uncertainty analysis for cadmium was performed to identify the most uncertain parameters of the model. Model analysis indicated that most of the prediction uncertainty of the model can be ascribed to uncertainty of species sensitivity as expressed by NOECs. A very small proportion of model uncertainty is contributed by BAFs from food webs. Correction factors for the conversion of NOECs from laboratory conditions to the field have some influence on the final value of MPC5, but the total prediction uncertainty of the MPC is quite large. It is concluded that the uncertainty in species sensitivity is quite large. To avoid unethical toxicity testing with mammalian or avian predators, it cannot be avoided to use this uncertainty in the method proposed to calculate MPC distributions. The fifth percentile of the MPC is suggested as a safe value for top predators.

Colony mapping: A new technique for monitoring crevice-nesting seabirds

USGS Publications Warehouse

Renner, H.M.; Renner, M.; Reynolds, J.H.; Harping, A.M.A.; Jones, I.L.; Irons, D.B.; Byrd, G.V.

2006-01-01

Monitoring populations of auklets and other crevice-nesting seabirds remains problematic, although numerous methods have been attempted since the mid-1960s. Anecdotal evidence suggests several large auklet colonies have recently decreased in both abundance and extent, concurrently with vegetation encroachment and succession. Quantifying changes in the geographical extent of auklet colonies may be a useful alternative to monitoring population size directly. We propose a standardized method for colony mapping using a randomized systematic grid survey with two components: a simple presence/absence survey and an auklet evidence density survey. A quantitative auklet evidence density index was derived from the frequency of droppings and feathers. This new method was used to map the colony on St. George Island in the southeastern Bering Sea and results were compared to previous colony mapping efforts. Auklet presence was detected in 62 of 201 grid cells (each grid cell = 2500 m2) by sampling a randomly placed 16 m2 plot in each cell; estimated colony area = 155 000 m2. The auklet evidence density index varied by two orders of magnitude across the colony and was strongly correlated with means of replicated counts of birds socializing on the colony surface. Quantitatively mapping all large auklet colonies is logistically feasible using this method and would provide an important baseline for monitoring colony status. Regularly monitoring select colonies using this method may be the best means of detecting changes in distribution and population size of crevice-nesting seabirds. ?? The Cooper Ornithological Society 2006.

Mapping current and potential distribution of non-native Prosopis juliflora in the Afar region of Ethiopia

USGS Publications Warehouse

Wakie, Tewodros; Evangelista, Paul H.; Jarnevich, Catherine S.; Laituri, Melinda

2014-01-01

We used correlative models with species occurrence points, Moderate Resolution Imaging Spectroradiometer (MODIS) vegetation indices, and topo-climatic predictors to map the current distribution and potential habitat of invasive Prosopis juliflora in Afar, Ethiopia. Time-series of MODIS Enhanced Vegetation Indices (EVI) and Normalized Difference Vegetation Indices (NDVI) with 250 m2 spatial resolution were selected as remote sensing predictors for mapping distributions, while WorldClim bioclimatic products and generated topographic variables from the Shuttle Radar Topography Mission product (SRTM) were used to predict potential infestations. We ran Maxent models using non-correlated variables and the 143 species-occurrence points. Maxent generated probability surfaces were converted into binary maps using the 10-percentile logistic threshold values. Performances of models were evaluated using area under the receiver-operating characteristic (ROC) curve (AUC). Our results indicate that the extent of P. juliflora invasion is approximately 3,605 km2 in the Afar region (AUC = 0.94), while the potential habitat for future infestations is 5,024 km2 (AUC = 0.95). Our analyses demonstrate that time-series of MODIS vegetation indices and species occurrence points can be used with Maxent modeling software to map the current distribution of P. juliflora, while topo-climatic variables are good predictors of potential habitat in Ethiopia. Our results can quantify current and future infestations, and inform management and policy decisions for containing P. juliflora. Our methods can also be replicated for managing invasive species in other East African countries.

The Arctic Research Mapping Application (ARMAP): a Geoportal for Visualizing Project-level Information About U.S. Funded Research in the Arctic

NASA Astrophysics Data System (ADS)

Kassin, A.; Cody, R. P.; Barba, M.; Gaylord, A. G.; Manley, W. F.; Score, R.; Escarzaga, S. M.; Tweedie, C. E.

2016-12-01

The Arctic Research Mapping Application (ARMAP; http://armap.org/) is a suite of online applications and data services that support Arctic science by providing project tracking information (who's doing what, when and where in the region) for United States Government funded projects. In collaboration with 17 research agencies, project locations are displayed in a visually enhanced web mapping application. Key information about each project is presented along with links to web pages that provide additional information, including links to data where possible. The latest ARMAP iteration has i) reworked the search user interface (UI) to enable multiple filters to be applied in user-driven queries and ii) implemented ArcGIS Javascript API 4.0 to allow for deployment of 3D maps directly into a users web-browser and enhanced customization of popups. Module additions include i) a dashboard UI powered by a back-end Apache SOLR engine to visualize data in intuitive and interactive charts; and ii) a printing module that allows users to customize maps and export these to different formats (pdf, ppt, gif and jpg). New reference layers and an updated ship tracks layer have also been added. These improvements have been made to improve discoverability, enhance logistics coordination, identify geographic gaps in research/observation effort, and foster enhanced collaboration among the research community. Additionally, ARMAP can be used to demonstrate past, present, and future research effort supported by the U.S. Government.

Application of Generative Autoencoder in De Novo Molecular Design.

PubMed

Blaschke, Thomas; Olivecrona, Marcus; Engkvist, Ola; Bajorath, Jürgen; Chen, Hongming

2018-01-01

A major challenge in computational chemistry is the generation of novel molecular structures with desirable pharmacological and physiochemical properties. In this work, we investigate the potential use of autoencoder, a deep learning methodology, for de novo molecular design. Various generative autoencoders were used to map molecule structures into a continuous latent space and vice versa and their performance as structure generator was assessed. Our results show that the latent space preserves chemical similarity principle and thus can be used for the generation of analogue structures. Furthermore, the latent space created by autoencoders were searched systematically to generate novel compounds with predicted activity against dopamine receptor type 2 and compounds similar to known active compounds not included in the trainings set were identified. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Normal and compound poisson approximations for pattern occurrences in NGS reads.

PubMed

Zhai, Zhiyuan; Reinert, Gesine; Song, Kai; Waterman, Michael S; Luan, Yihui; Sun, Fengzhu

2012-06-01

Next generation sequencing (NGS) technologies are now widely used in many biological studies. In NGS, sequence reads are randomly sampled from the genome sequence of interest. Most computational approaches for NGS data first map the reads to the genome and then analyze the data based on the mapped reads. Since many organisms have unknown genome sequences and many reads cannot be uniquely mapped to the genomes even if the genome sequences are known, alternative analytical methods are needed for the study of NGS data. Here we suggest using word patterns to analyze NGS data. Word pattern counting (the study of the probabilistic distribution of the number of occurrences of word patterns in one or multiple long sequences) has played an important role in molecular sequence analysis. However, no studies are available on the distribution of the number of occurrences of word patterns in NGS reads. In this article, we build probabilistic models for the background sequence and the sampling process of the sequence reads from the genome. Based on the models, we provide normal and compound Poisson approximations for the number of occurrences of word patterns from the sequence reads, with bounds on the approximation error. The main challenge is to consider the randomness in generating the long background sequence, as well as in the sampling of the reads using NGS. We show the accuracy of these approximations under a variety of conditions for different patterns with various characteristics. Under realistic assumptions, the compound Poisson approximation seems to outperform the normal approximation in most situations. These approximate distributions can be used to evaluate the statistical significance of the occurrence of patterns from NGS data. The theory and the computational algorithm for calculating the approximate distributions are then used to analyze ChIP-Seq data using transcription factor GABP. Software is available online (www-rcf.usc.edu/∼fsun/Programs/NGS_motif_power/NGS_motif_power.html). In addition, Supplementary Material can be found online (www.liebertonline.com/cmb).

Permutation entropy with vector embedding delays

NASA Astrophysics Data System (ADS)

Little, Douglas J.; Kane, Deb M.

2017-12-01

Permutation entropy (PE) is a statistic used widely for the detection of structure within a time series. Embedding delay times at which the PE is reduced are characteristic timescales for which such structure exists. Here, a generalized scheme is investigated where embedding delays are represented by vectors rather than scalars, permitting PE to be calculated over a (D -1 ) -dimensional space, where D is the embedding dimension. This scheme is applied to numerically generated noise, sine wave and logistic map series, and experimental data sets taken from a vertical-cavity surface emitting laser exhibiting temporally localized pulse structures within the round-trip time of the laser cavity. Results are visualized as PE maps as a function of embedding delay, with low PE values indicating combinations of embedding delays where correlation structure is present. It is demonstrated that vector embedding delays enable identification of structure that is ambiguous or masked, when the embedding delay is constrained to scalar form.

Visualization of system dynamics using phasegrams

PubMed Central

Herbst, Christian T.; Herzel, Hanspeter; Švec, Jan G.; Wyman, Megan T.; Fitch, W. Tecumseh

2013-01-01

A new tool for visualization and analysis of system dynamics is introduced: the phasegram. Its application is illustrated with both classical nonlinear systems (logistic map and Lorenz system) and with biological voice signals. Phasegrams combine the advantages of sliding-window analysis (such as the spectrogram) with well-established visualization techniques from the domain of nonlinear dynamics. In a phasegram, time is mapped onto the x-axis, and various vibratory regimes, such as periodic oscillation, subharmonics or chaos, are identified within the generated graph by the number and stability of horizontal lines. A phasegram can be interpreted as a bifurcation diagram in time. In contrast to other analysis techniques, it can be automatically constructed from time-series data alone: no additional system parameter needs to be known. Phasegrams show great potential for signal classification and can act as the quantitative basis for further analysis of oscillating systems in many scientific fields, such as physics (particularly acoustics), biology or medicine. PMID:23697715

Effects of Colored Noise on Periodic Orbits in a One-Dimensional Map

NASA Astrophysics Data System (ADS)

Li, Feng-Guo; Ai, Bao-Quan

2011-06-01

Noise can induce inverse period-doubling transition and chaos. The effects of the colored noise on periodic orbits, of the different periodic sequences in the logistic map, are investigated. It is found that the dynamical behaviors of the orbits, induced by an exponentially correlated colored noise, are different in the mergence of transition, and the effects of the noise intensity on their dynamical behaviors are different from the effects of the correlation time of noise. Remarkably, the noise can induce new periodic orbits, namely, two new orbits emerge in the period-four sequence at the bifurcation parameter value μ = 3.5, four new orbits in the period-eight sequence at μ = 3.55, and three new orbits in the period-six sequence at μ = 3.846, respectively. Moreover, the dynamical behaviors of the new orbits clearly show the resonancelike response to the colored noise.

Visual attention based bag-of-words model for image classification

NASA Astrophysics Data System (ADS)

Wang, Qiwei; Wan, Shouhong; Yue, Lihua; Wang, Che

2014-04-01

Bag-of-words is a classical method for image classification. The core problem is how to count the frequency of the visual words and what visual words to select. In this paper, we propose a visual attention based bag-of-words model (VABOW model) for image classification task. The VABOW model utilizes visual attention method to generate a saliency map, and uses the saliency map as a weighted matrix to instruct the statistic process for the frequency of the visual words. On the other hand, the VABOW model combines shape, color and texture cues and uses L1 regularization logistic regression method to select the most relevant and most efficient features. We compare our approach with traditional bag-of-words based method on two datasets, and the result shows that our VABOW model outperforms the state-of-the-art method for image classification.

Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors

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

Devadas, Balekudru; Selness, Shaun R.; Xing, Li

2012-02-28

A novel series of highly potent and selective p38 MAP kinase inhibitors was developed originating from a substituted N-aryl-6-pyrimidinone scaffold. SAR studies coupled with in vivo evaluations in rat arthritis model culminated in the identification of 10 with excellent oral efficacy. Compound 10 exhibited a significantly enhanced dissolution rate compared to 1, translating to a high oral bioavailability (>90%) in rat. In animal studies 10 inhibited LPS-stimulated production of tumor necrosis factor-{alpha} in a dose-dependent manner and demonstrated robust efficacy comparable to dexamethasone in a rat streptococcal cell wall-induced arthritis model.

A close-up look at Io from Galileo's near-infrared mapping spectrometer

USGS Publications Warehouse

Lopes-Gautier, R.; Doute, S.; Smythe, W.D.; Kamp, L.W.; Carlson, R.W.; Davies, A.G.; Leader, F.E.; McEwen, A.S.; Geissler, P.E.; Kieffer, S.W.; Keszthelyi, L.; Barbinis, E.; Mehlman, R.; Segura, M.; Shirley, J.; Soderblom, L.A.

2000-01-01

Infrared spectral images of Jupiter's volcanic moon Io, acquired during the October and November 1999 and February 2000 flybys of the Galileo spacecraft, were used to study the thermal structure and sulfur dioxide distribution of active volcanoes. Loki Patera, the solar system's most powerful known volcano, exhibits large expanses of dark, cooling lava on its caldera floor. Prometheus, the site of long-lived plume activity, has two major areas of thermal emission, which support ideas of plume migration. Sulfur dioxide deposits were mapped at local scales and show a more complex relationship to surface colors than previously thought, indicating the presence of other sulfur compounds.

Experiments of reconstructing discrete atmospheric dynamic models from data (I)

NASA Astrophysics Data System (ADS)

Lin, Zhenshan; Zhu, Yanyu; Deng, Ziwang

1995-03-01

In this paper, we give some experimental results of our study in reconstructing discrete atmospheric dynamic models from data. After a great deal of numerical experiments, we found that the logistic map, x n + 1 = 1- μx {2/n}, could be used in monthly mean temperature prediction when it was approaching the chaotic region, and its predictive results were in reverse states to the practical data. This means that the nonlinear developing behavior of the monthly mean temperature system is bifurcating back into the critical chaotic states from the chaotic ones.

Synchronization in Biochemical Substance Exchange Between Two Cells

NASA Astrophysics Data System (ADS)

Mihailović, Dragutin T.; Balaž, Igor

In this paper, Mihailović et al. [Mod. Phys. Lett. B 25 (2011) 2407-2417] introduce a simplified model of cell communication in a form of coupled difference logistic equations. Then we investigated stability of exchange of signaling molecules under variability of internal and external parameters. However, we have not touched questions about synchronization and effect of noise on biochemical substance exchange between cells. In this paper, we consider synchronization in intercellular exchange in dependence of environmental and cell intrinsic parameters by analyzing the largest Lyapunov exponent, cross sample entropy and bifurcation maps.

Tularosa Basin Play Fairway: Weights of Evidence Models

DOE Data Explorer

Adam Brandt

2015-12-01

These models are related to weights of evidence play fairway anlaysis of the Tularosa Basin, New Mexico and Texas. They were created through Spatial Data Modeler: ArcMAP 9.3 geoprocessing tools for spatial data modeling using weights of evidence, logistic regression, fuzzy logic and neural networks. It used to identify high values for potential geothermal plays and low values. The results are relative not only within the Tularosa Basin, but also throughout New Mexico, Utah, Nevada, and other places where high to moderate enthalpy geothermal systems are present (training sites).

Late Fusion and Calibration for Multimedia Event Detection Using Few Examples (Author’s Manuscript)

DTIC Science & Technology

2014-07-14

of a certain clip being a positive has the form P (y = +1|x) = (↵xT + ) where (x) = 1/(1 + e x) is the logistic function. The parameters ↵ = [↵0...the videos in the test set. Then we map those scores back to [0, 1] using the sigmoid function ↵, defined as ↵, = 1/(1 + e (↵x+)). The parameters...TRECVID 2012 workshop. Gaithersburg, MD, USA, 2012. [8] Pradeep Natarajan, Shuang Wu, Shiv Vitaladevuni, Xiaodan Zhuang, Stavros Tsakalidis , Unsang

Stellar Parameter Determination With J-Plus Using Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Whitten, Devin D.

2017-10-01

The J-PLUS narrow-band filter system provides a unique opportunity for the determination of stellar parameters and chemical abundances from photometry alone. Mapping stellar magnitudes to estimates of surface temperature, [Fe/H], and [C/Fe] is an excellent application of machine learning and in particular, artificial neural networks (ANN). The logistics and performance of this ANN methodology is explored with the J-PLUS Early Data Release, as well as the potential impact of stellar parameters from J-PLUS on the field of Galactic chemical evolution.

Software Quality Metrics: A Software Management Monitoring Method for Air Force Logistics Command in Its Software Quality Assurance Program for the Quantitative Assessment of the System Development Life Cycle under Configuration Management.

DTIC Science & Technology

1982-03-01

pilot systems. Magnitude of the mutant error is classified as: o Program does not compute. o Program computes but does not run test data. o Program...14 Test and Integration ... ............ .. 105 15 The Mapping of SQM to the SDLC ........ ... 108 16 ADS Development .... .............. . 224 17...and funds. While the test phase concludes the normal development cycle, one should realize that with software the development continues in the

Nonimaging compound parabolic concentrator-type reflectors with variable extreme direction.

PubMed

Gordon, J M; Rabl, A

1992-12-01

The properties of nonimaging compound parabolic concentrator (CPC)-type devices are examined in which the extreme direction is not constant but rather is a variable that can change along the reflector. One can then retain the maximal concentration or radiative efficiency of the CPC while the flux map on the absorber or target is modified, depending on whether the device is used for optical concentration or for lighting. Two general classes of reflector are derived, and all the nonimaging devices developed to date are shown to be special cases of the general solution. These two classes are the nonimaging analog of converging and diverging devices of imaging optics.

Independent Prognostic Factors for Acute Organophosphorus Pesticide Poisoning.

PubMed

Tang, Weidong; Ruan, Feng; Chen, Qi; Chen, Suping; Shao, Xuebo; Gao, Jianbo; Zhang, Mao

2016-07-01

Acute organophosphorus pesticide poisoning (AOPP) is becoming a significant problem and a potential cause of human mortality because of the abuse of organophosphate compounds. This study aims to determine the independent prognostic factors of AOPP by using multivariate logistic regression analysis. The clinical data for 71 subjects with AOPP admitted to our hospital were retrospectively analyzed. This information included the Acute Physiology and Chronic Health Evaluation II (APACHE II) scores, 6-h post-admission blood lactate levels, post-admission 6-h lactate clearance rates, admission blood cholinesterase levels, 6-h post-admission blood cholinesterase levels, cholinesterase activity, blood pH, and other factors. Univariate analysis and multivariate logistic regression analyses were conducted to identify all prognostic factors and independent prognostic factors, respectively. A receiver operating characteristic curve was plotted to analyze the testing power of independent prognostic factors. Twelve of 71 subjects died. Admission blood lactate levels, 6-h post-admission blood lactate levels, post-admission 6-h lactate clearance rates, blood pH, and APACHE II scores were identified as prognostic factors for AOPP according to the univariate analysis, whereas only 6-h post-admission blood lactate levels, post-admission 6-h lactate clearance rates, and blood pH were independent prognostic factors identified by multivariate logistic regression analysis. The receiver operating characteristic analysis suggested that post-admission 6-h lactate clearance rates were of moderate diagnostic value. High 6-h post-admission blood lactate levels, low blood pH, and low post-admission 6-h lactate clearance rates were independent prognostic factors identified by multivariate logistic regression analysis. Copyright © 2016 by Daedalus Enterprises.

Non-linear quantitative structure-activity relationship for adenine derivatives as competitive inhibitors of adenosine deaminase

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

Sadat Hayatshahi, Sayyed Hamed; Abdolmaleki, Parviz; Safarian, Shahrokh

2005-12-16

Logistic regression and artificial neural networks have been developed as two non-linear models to establish quantitative structure-activity relationships between structural descriptors and biochemical activity of adenosine based competitive inhibitors, toward adenosine deaminase. The training set included 24 compounds with known k {sub i} values. The models were trained to solve two-class problems. Unlike the previous work in which multiple linear regression was used, the highest of positive charge on the molecules was recognized to be in close relation with their inhibition activity, while the electric charge on atom N1 of adenosine was found to be a poor descriptor. Consequently, themore » previously developed equation was improved and the newly formed one could predict the class of 91.66% of compounds correctly. Also optimized 2-3-1 and 3-4-1 neural networks could increase this rate to 95.83%.« less

First-trimester mean arterial blood pressure and the risk of preeclampsia: The Great Obstetrical Syndromes (GOS) study.

PubMed

Gasse, Cédric; Boutin, Amélie; Coté, Maxime; Chaillet, Nils; Bujold, Emmanuel; Demers, Suzanne

2018-04-01

To estimate the predictive value of first-trimester mean arterial pressure (MAP) for the hypertensive disorders of pregnancy (HDP). We performed a prospective cohort study of nulliparous women recruited at 11 0/7 -13 6/7  weeks. MAP was calculated from blood pressure measured on both arms simultaneously using an automated device taking a series of recordings until blood pressure stability was reached. MAP was reported as multiples of the median adjusted for gestational age. Participants were followed for development of gestational hypertension (GH), preeclampsia (PE), preterm PE (<37 weeks) and early-onset (EO) PE (<34 weeks). Receiver operating characteristic curves and the area under the curve (AUC) were used to estimate the predictive values of MAP. Multivariate logistic regressions were used to develop predictive models combining MAP and maternal characteristics. We obtained complete follow-up in 4700 (99%) out of 4749 eligible participants. GH without PE was observed in 250 (5.3%) participants, and PE in 241 (5.1%), including 33 (0.7%) preterm PE and 10 (0.2%) EO-PE. First-trimester MAP was associated with GH (AUC: 0.77; 95%CI: 0.74-0.80); term PE (0.73; 95%CI: 0.70-0.76), preterm PE (0.80; 95%CI: 0.73-0.87) and EO-PE (0.79; 95%CI: 0.62-0.96). At a 10% false-positive rate, first-trimester MAP could have predicted 39% of GH, 34% of term PE, 48% of preterm PE and 60% of EO-PE. The addition of maternal characteristics improved the predictive values (to 40%, 37%, 55% and 70%, respectively). First-trimester MAP is a strong predictor of GH and PE in nulliparous women. Copyright © 2017 International Society for the Study of Hypertension in Pregnancy. Published by Elsevier B.V. All rights reserved.

Improvements on mapping soil liquefaction at a regional scale

NASA Astrophysics Data System (ADS)

Zhu, Jing

Earthquake induced soil liquefaction is an important secondary hazard during earthquakes and can lead to significant damage to infrastructure. Mapping liquefaction hazard is important in both planning for earthquake events and guiding relief efforts by positioning resources once the events have occurred. This dissertation addresses two aspects of liquefaction hazard mapping at a regional scale including 1) predictive liquefaction hazard mapping and 2) post-liquefaction cataloging. First, current predictive hazard liquefaction mapping relies on detailed geologic maps and geotechnical data, which are not always available in at-risk regions. This dissertation improves the predictive liquefaction hazard mapping by the development and validation of geospatial liquefaction models (Chapter 2 and 3) that predict liquefaction extent and are appropriate for global application. The geospatial liquefaction models are developed using logistic regression from a liquefaction database consisting of the data from 27 earthquake events from six countries. The model that performs best over the entire dataset includes peak ground velocity (PGV), VS30, distance to river, distance to coast, and precipitation. The model that performs best over the noncoastal dataset includes PGV, VS30, water table depth, distance to water body, and precipitation. Second, post-earthquake liquefaction cataloging historically relies on field investigation that is often limited by time and expense, and therefore results in limited and incomplete liquefaction inventories. This dissertation improves the post-earthquake cataloging by the development and validation of a remote sensing-based method that can be quickly applied over a broad region after an earthquake and provide a detailed map of liquefaction surface effects (Chapter 4). Our method uses the optical satellite images before and after an earthquake event from the WorldView-2 satellite with 2 m spatial resolution and eight spectral bands. Our method uses the changes of spectral variables that are sensitive to surface moisture and soil characteristics paired with a supervised classification.