On optima: the case of myoglobin-facilitated oxygen diffusion.

PubMed

Wittenberg, Jonathan B

2007-08-15

The process of myoglobin/leghemoglobin-facilitated oxygen diffusion is adapted to function in different environments in diverse organisms. We enquire how the functional parameters of the process are optimized in particular organisms. The ligand-binding properties of the proteins, myoglobin and plant symbiotic hemoglobins, we discover, suggest that they have been adapted under genetic selection pressure for optimal performance. Since carrier-mediated oxygen transport has probably evolved independantly many times, adaptation of diverse proteins for a common functionality exemplifies the process of convergent evolution. The progenitor proteins may be built on the myoglobin scaffold or may be very different.

Distinguishing Functional DNA Words; A Method for Measuring Clustering Levels

NASA Astrophysics Data System (ADS)

Moghaddasi, Hanieh; Khalifeh, Khosrow; Darooneh, Amir Hossein

2017-01-01

Functional DNA sub-sequences and genome elements are spatially clustered through the genome just as keywords in literary texts. Therefore, some of the methods for ranking words in texts can also be used to compare different DNA sub-sequences. In analogy with the literary texts, here we claim that the distribution of distances between the successive sub-sequences (words) is q-exponential which is the distribution function in non-extensive statistical mechanics. Thus the q-parameter can be used as a measure of words clustering levels. Here, we analyzed the distribution of distances between consecutive occurrences of 16 possible dinucleotides in human chromosomes to obtain their corresponding q-parameters. We found that CG as a biologically important two-letter word concerning its methylation, has the highest clustering level. This finding shows the predicting ability of the method in biology. We also proposed that chromosome 18 with the largest value of q-parameter for promoters of genes is more sensitive to dietary and lifestyle. We extended our study to compare the genome of some selected organisms and concluded that the clustering level of CGs increases in higher evolutionary organisms compared to lower ones.

Hygroscopicity of organic compounds as a function of carbon chain length, carboxyl, hydroperoxy, and carbonyl functional groups

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

Petters, Sarah Suda; Pagonis, Demetrios; Claflin, Megan Suzanne

The albedo and microphysical properties of clouds are controlled in part by the hygroscopicity of particles serving as cloud condensation nuclei (CCN). Hygroscopicity of complex organic mixtures in the atmosphere varies widely and remains challenging to predict. Here we present new measurements characterizing the CCN activity of pure compounds in which carbon chain length and the number of hydroperoxy, carboxyl, and carbonyl functional groups were systematically varied to establish the contributions of these groups to organic aerosol apparent hygroscopicity. Apparent hygroscopicity decreased with carbon chain length and increased with polar functional groups in the order carboxyl > hydroperoxy > carbonyl.more » Activation diameters at different supersaturations deviated from the -3/2 slope in log-log space predicted by Köhler theory, suggesting that water solubility limits CCN activity of particles composed of weakly functionalized organic compounds. Results are compared to a functional group contribution model that predicts CCN activity of organic compounds. The model performed well for most compounds but under-predicted the CCN activity of hydroperoxy groups. New best-fit hydroperoxy group/water interaction parameters were derived from the available CCN data. Lastly, these results may help improve estimates of the CCN activity of ambient organic aerosols from composition data.« less

Hygroscopicity of organic compounds as a function of carbon chain length, carboxyl, hydroperoxy, and carbonyl functional groups

DOE PAGES

Petters, Sarah Suda; Pagonis, Demetrios; Claflin, Megan Suzanne; ...

2017-06-16

The albedo and microphysical properties of clouds are controlled in part by the hygroscopicity of particles serving as cloud condensation nuclei (CCN). Hygroscopicity of complex organic mixtures in the atmosphere varies widely and remains challenging to predict. Here we present new measurements characterizing the CCN activity of pure compounds in which carbon chain length and the number of hydroperoxy, carboxyl, and carbonyl functional groups were systematically varied to establish the contributions of these groups to organic aerosol apparent hygroscopicity. Apparent hygroscopicity decreased with carbon chain length and increased with polar functional groups in the order carboxyl > hydroperoxy > carbonyl.more » Activation diameters at different supersaturations deviated from the -3/2 slope in log-log space predicted by Köhler theory, suggesting that water solubility limits CCN activity of particles composed of weakly functionalized organic compounds. Results are compared to a functional group contribution model that predicts CCN activity of organic compounds. The model performed well for most compounds but under-predicted the CCN activity of hydroperoxy groups. New best-fit hydroperoxy group/water interaction parameters were derived from the available CCN data. Lastly, these results may help improve estimates of the CCN activity of ambient organic aerosols from composition data.« less

Wavelet coherence analysis: A new approach to distinguish organic and functional tremor types.

PubMed

Kramer, G; Van der Stouwe, A M M; Maurits, N M; Tijssen, M A J; Elting, J W J

2018-01-01

To distinguish tremor subtypes using wavelet coherence analysis (WCA). WCA enables to detect variations in coherence and phase difference between two signals over time and might be especially useful in distinguishing functional from organic tremor. In this pilot study, polymyography recordings were studied retrospectively of 26 Parkinsonian (PT), 26 functional (FT), 26 essential (ET), and 20 enhanced physiological (EPT) tremor patients. Per patient one segment of 20 s in duration, in which tremor was present continuously in the same posture, was selected. We studied several coherence and phase related parameters, and analysed all possible muscle combinations of the flexor and extensor muscles of the upper and fore arm. The area under the receiver operating characteristic curve (AUC-ROC) was applied to compare WCA and standard coherence analysis to distinguish tremor subtypes. The percentage of time with significant coherence (PTSC) and the number of periods without significant coherence (NOV) proved the most discriminative parameters. FT could be discriminated from organic (PT, ET, EPT) tremor by high NOV (31.88 vs 21.58, 23.12 and 10.20 respectively) with an AUC-ROC of 0.809, while standard coherence analysis resulted in an AUC-ROC of 0.552. EMG-EMG WCA analysis might provide additional variables to distinguish functional from organic tremor. WCA might prove to be of additional value to discriminate between tremor types. Copyright © 2017 International Federation of Clinical Neurophysiology. Published by Elsevier B.V. All rights reserved.

Influence of movement parameters on area 18 neurones in the cat.

PubMed

Orban, G A; Callens, M

1977-10-24

In cats, 107 area 18 neurones with identified FR type, 10-50 degrees from the visual axis, were tested for the influence of direction, velocity and amplitude of movement. These three parameters are believed to be the primary parameters of a movement analysing system. 94% of the neurones were influenced by the direction of movement, all of them by the angular velocity and 16% by the amplitude of movement. For each of the primary parameters, tuning curves were established. Angular velocity influenced not only the response magnitude but also the response latency and the direction bias. By preparing response amplitude functions at different velocities the influence of movement duration was ruled out. The association of functional properties and RF organization suggests a model of information processing in area 18 of the cat.

Assessment of derelict soil quality: Abiotic, biotic and functional approaches.

PubMed

Vincent, Quentin; Auclerc, Apolline; Beguiristain, Thierry; Leyval, Corinne

2018-02-01

The intensification and subsequent closing down of industrial activities during the last century has left behind large surfaces of derelict lands. Derelict soils have low fertility, can be contaminated, and many of them remain unused. However, with the increasing demand of soil surfaces, they might be considered as a resource, for example for non-food biomass production. The study of their physico-chemical properties and of their biodiversity and biological activity may provide indications for their potential re-use. The objective of our study was to investigate the quality of six derelict soils, considering abiotic, biotic, and functional parameters. We studied (i) the soil bacteria, fungi, meso- and macro-fauna and plant communities of six different derelict soils (two from coking plants, one from a settling pond, two constructed ones made from different substrates and remediated soil, and an inert waste storage one), and (ii) their decomposition function based on the decomposer trophic network, enzyme activities, mineralization activity, and organic pollutant degradation. Biodiversity levels in these soils were high, but all biotic parameters, except the mycorrhizal colonization level, discriminated them. Multivariate analysis showed that biotic parameters co-varied more with fertility proxies than with soil contamination parameters. Similarly, functional parameters significantly co-varied with abiotic parameters. Among functional parameters, macro-decomposer proportion, enzyme activity, average mineralization capacity, and microbial polycyclic aromatic hydrocarbon degraders were useful to discriminate the soils. We assessed their quality by combining abiotic, biotic, and functional parameters: the compost-amended constructed soil displayed the highest quality, while the settling pond soil and the contaminated constructed soil displayed the lowest. Although differences among the soils were highlighted, this study shows that derelict soils may provide a biodiversity ecosystem service and are functional for decomposition. Copyright © 2017 Elsevier B.V. All rights reserved.

[Multi-month dynamics of the functional condition of organism of normal male northeners of Russia].

PubMed

Solonin, Iu G; Markov, A L; Boĭko, E R

2012-01-01

In conjunction with the Mars-500 project, 17 male residents (25-46 y.o.) of the North of Russia (62 degrees 40'N) were examined monthly using hard- and software EKOSAN-2007. In the period of June, 2010 through to November, 2011 they visited a standard laboratory to go through comprehensive anthropophysiometric, psychophysiological and physiological investigations at rest and combined with exercise, standing and cold tests aimed at tracking the seasonal responses of the body functional parameters. The larger part of group-average psychomotor, breathing and circulation measurements as well as heart rate variability did not exhibit statistically significant differences between months or seasons. Reliable seasonal variations were documented in the life index, body and cutaneous temperature, myocardium index and regulatory systems activity. A correlation between environmental and some body functional parameters was established. In the course of the multi-month monitoring there were periods when essentially healthy people were diagnosed as prenosologic and even premorbid. Some findings in the functioning of male northerner's organism are clearly attributable to living in the high-altitude area.

Detection of Volatile Organic Compounds by Self-assembled Monolayer Coated Sensor Array with Concentration-independent Fingerprints

PubMed Central

Chang, Ye; Tang, Ning; Qu, Hemi; Liu, Jing; Zhang, Daihua; Zhang, Hao; Pang, Wei; Duan, Xuexin

2016-01-01

In this paper, we have modeled and analyzed affinities and kinetics of volatile organic compounds (VOCs) adsorption (and desorption) on various surface chemical groups using multiple self-assembled monolayers (SAMs) functionalized film bulk acoustic resonator (FBAR) array. The high-frequency and micro-scale resonator provides improved sensitivity in the detections of VOCs at trace levels. With the study of affinities and kinetics, three concentration-independent intrinsic parameters (monolayer adsorption capacity, adsorption energy constant and desorption rate) of gas-surface interactions are obtained to contribute to a multi-parameter fingerprint library of VOC analytes. Effects of functional group’s properties on gas-surface interactions are also discussed. The proposed sensor array with concentration-independent fingerprint library shows potential as a portable electronic nose (e-nose) system for VOCs discrimination and gas-sensitive materials selections. PMID:27045012

Whole organ, venation and epidermal cell morphological variations are correlated in the leaves of Arabidopsis mutants.

PubMed

Pérez-Pérez, José Manuel; Rubio-Díaz, Silvia; Dhondt, Stijn; Hernández-Romero, Diana; Sánchez-Soriano, Joaquín; Beemster, Gerrit T S; Ponce, María Rosa; Micol, José Luis

2011-12-01

Despite the large number of genes known to affect leaf shape or size, we still have a relatively poor understanding of how leaf morphology is established. For example, little is known about how cell division and cell expansion are controlled and coordinated within a growing leaf to eventually develop into a laminar organ of a definite size. To obtain a global perspective of the cellular basis of variations in leaf morphology at the organ, tissue and cell levels, we studied a collection of 111 non-allelic mutants with abnormally shaped and/or sized leaves, which broadly represent the mutational variations in Arabidopsis thaliana leaf morphology not associated with lethality. We used image-processing techniques on these mutants to quantify morphological parameters running the gamut from the palisade mesophyll and epidermal cells to the venation, whole leaf and rosette levels. We found positive correlations between epidermal cell size and leaf area, which is consistent with long-standing Avery's hypothesis that the epidermis drives leaf growth. In addition, venation parameters were positively correlated with leaf area, suggesting that leaf growth and vein patterning share some genetic controls. Positional cloning of the genes affected by the studied mutations will eventually establish functional links between genotypes, molecular functions, cellular parameters and leaf phenotypes. © 2011 Blackwell Publishing Ltd.

Altered cell function in microgravity

NASA Technical Reports Server (NTRS)

Hughes-Fulford, Millie

1991-01-01

The paper overviews published results from investigations of changes in basic biological parameters taking place as a result of spaceflight exposure. These include changes in the rates of the DNA, mRNA, and protein biosyntheses; changes in the growth rate of an organism; and alterations in the cytoskeleton structure, differentiation, hormone accumulation, and collagen matrix secretion. These results, obtained both in complex biological organisms and on cultured cells, suggest that a basic cellular function is influenced and changed by microgravity. Many of the above mentioned changes are also found to take place in aging cells.

Biochemical studies on the effect of different water resources in Hail region on liver and kidney functions of rats.

PubMed

Talkhan, Ola F A; Abd Elwahab, Safaa A E; Shalapy, Ebtessam M

2016-08-01

Low concentration of a heavy metal is toxic and can be classified as one of the pollution sources. Industrial and human waste can pollute water with heavy metals and soils breaking down under the effect of acidic rain, which release heavy metals into river, streams, lakes, and ground water. Bioaccumulation of heavy metals in vital organs of the human body damages these organs, including the liver and kidney, which are the main organs for metabolism, detoxification, and excretion. The present study aims to investigate into concentrations of such heavy metals (Fe, Cu, Zn, and Pb) in both ground and tap water samples collected from different areas in Hail region, KSA. Then, this study moves forward to examine the effects of such concentrations on the biochemistry of serum in rats. In this regard, the results demonstrate the presence of significant differences (p < 0.05) in the liver function parameters, alanine aminotransferase, aspartate aminotransferase, alkaline phosphatase, total proteins, albumin, and globulin between all the studied groups that were exposed to heavy-metals-polluted water, when compared with the control group. In addition, there were significant differences (p < 0.05) in the kidney function parameters, uric acid, urea, and creatinine, when compared with the control group. Thence, and as this study indicates, heavy-metals-polluted water can cause disturbance in the liver and kidney function parameters, which highlights health risks of the water polluted with heavy metals. In this sense, the concerned authorities should regularly carry out survey and should monitor underground water, and people have to be aware of such risks.

Radial dependence of self-organized criticality behavior in TCABR tokamak

NASA Astrophysics Data System (ADS)

dos Santos Lima, G. Z.; Iarosz, K. C.; Batista, A. M.; Guimarães-Filho, Z. O.; Caldas, I. L.; Kuznetsov, Y. K.; Nascimento, I. C.; Viana, R. L.; Lopes, S. R.

2011-03-01

In this work we present evidence of the self-organized criticality behavior of the plasma edge electrostatic turbulence in the tokamak TCABR. Analyzing fluctuation data measured by Langmuir probes, we verify the radial dependence of self-organized criticality behavior at the plasma edge and scrape-off layer. We identify evidence of this radial criticality in statistical properties of the laminar period distribution function, power spectral density, autocorrelation, and Hurst parameter for the analyzed fluctuations.

A Self-Organizing State-Space-Model Approach for Parameter Estimation in Hodgkin-Huxley-Type Models of Single Neurons

PubMed Central

Vavoulis, Dimitrios V.; Straub, Volko A.; Aston, John A. D.; Feng, Jianfeng

2012-01-01

Traditional approaches to the problem of parameter estimation in biophysical models of neurons and neural networks usually adopt a global search algorithm (for example, an evolutionary algorithm), often in combination with a local search method (such as gradient descent) in order to minimize the value of a cost function, which measures the discrepancy between various features of the available experimental data and model output. In this study, we approach the problem of parameter estimation in conductance-based models of single neurons from a different perspective. By adopting a hidden-dynamical-systems formalism, we expressed parameter estimation as an inference problem in these systems, which can then be tackled using a range of well-established statistical inference methods. The particular method we used was Kitagawa's self-organizing state-space model, which was applied on a number of Hodgkin-Huxley-type models using simulated or actual electrophysiological data. We showed that the algorithm can be used to estimate a large number of parameters, including maximal conductances, reversal potentials, kinetics of ionic currents, measurement and intrinsic noise, based on low-dimensional experimental data and sufficiently informative priors in the form of pre-defined constraints imposed on model parameters. The algorithm remained operational even when very noisy experimental data were used. Importantly, by combining the self-organizing state-space model with an adaptive sampling algorithm akin to the Covariance Matrix Adaptation Evolution Strategy, we achieved a significant reduction in the variance of parameter estimates. The algorithm did not require the explicit formulation of a cost function and it was straightforward to apply on compartmental models and multiple data sets. Overall, the proposed methodology is particularly suitable for resolving high-dimensional inference problems based on noisy electrophysiological data and, therefore, a potentially useful tool in the construction of biophysical neuron models. PMID:22396632

Biological and biochemical soil quality indicators for agricultural management

NASA Astrophysics Data System (ADS)

Bongiorno, Giulia

2017-04-01

Soil quality is defined as the capacity of a soil to perform multiple functions. Agricultural soils can, in principle, sustain a wide range of functions. However, negative pressure exerted by natural and anthropogenic soil threats such as soil erosion, soil organic matter losses and soil compaction have the potential to permanently damage soil quality. Soil chemical, physical and biological parameters can be used as indicators of soil quality. The specific objective of this study is to assess the suitability of novel soil parameters as soil quality indicators. We focus on biological/biochemical parameters, due to the unique role of soil biota in soil functions and to their high sensitivity to disturbances. The novel indicators are assessed in ten European long-term field experiments (LTEs) with different agricultural land use (arable and permanent crops), management regimes and pedo-climatic characteristics. The contrasts in agricultural management are represented by conventional/reduced tillage, organic/mineral fertilization and organic matter addition/no organic matter addition. We measured two different pools of labile organic carbon (dissolved organic carbon (DOC), and permanganate oxidizable carbon (POXC)), and determined DOC quality through its fractionation in hydrophobic and hydrophilic compounds. In addition, total nematode abundance has been assessed with qPCR. These parameters will be related to soil functions which have been measured with a minimum data set of indicators for soil quality (including TOC, macronutrients, and soil respiration). As a preliminary analysis, the Sensitivity Index (SI) for a given LTE was calculated for DOC and POXC according to Bolinder et al., 1999 as the ratio of the soil attribute under modified practices (e.g. reduced tillage) compared to the conventional practices (e.g. conventional tillage). The overall effect of the sustainable management on the indicators has been derived by calculating an average SI for those LTEs which included the sustainable management taken into account. A parametric t-test was used to determine the comprehensive significance of the average SI for a given indicator. Reduced tillage increased DOC and POXC in the 0-10 cm of soil (SI=1.19 and 1.18 respectively) compared to conventional tillage. Organic fertilization increased DOC and POXC in the 0-10 cm compared to mineral fertilization (SI=1.43 and 1.41) and compared to no fertilizer applications (SI=1.27 and 1.17). DOC was slightly more sensitive than POXC, however, the t-test resulted to be significant only for POXC. Preliminary tests revealed a significant correlation between POXC and DOC (Spearman ρ=0.53, p<0.001). POXC was more strongly correlated with TOC (ρ=0.8, p<0.001), soil respiration (ρ=0.5, p<0.001) and total nematode number (ρ=0.25, p<0.001), than DOC (ρ=0.37, p<0.001; ρ=0.28, p<0.001; ρ=0.04, p=0.5, respectively). These preliminary results could indicate the better suitability of POXC as soil quality indicator compared to DOC. Further analyses will be implemented to elucidate these relations (including DOC quality parameters and hot water extractable carbon). In the coming months, nematode community composition and abundance of specific groups will be assessed with molecular techniques (sequencing and qPCR). Together, the results will permit to assess the feasibility of the implementation of novel indicators to monitor the effects of agricultural management on soil functions.

Effects of Functional Groups in Redox-Active Organic Molecules: A High-Throughput Screening Approach

DOE PAGES

Pelzer, Kenley M.; Cheng, Lei; Curtiss, Larry A.

2016-12-08

Nonaqueous redox flow batteries have attracted recent attention with their potential for high electrochemical storage capacity, with organic electrolytes serving as solvents with a wide electrochemical stability window. Organic molecules can also serve as electroactive species, where molecules with low reduction potentials or high oxidation potentials can provide substantial chemical energy. To identify promising electrolytes in a vast chemical space, high-throughput screening (HTS) of candidate molecules plays an important role, where HTS is used to calculate properties of thousands of molecules and identify a few organic molecules worthy of further attention in battery research. Here, in this work, we presentmore » reduction and oxidation potentials obtained from HTS of 4178 molecules. The molecules are composed of base groups of five- or six-membered rings with one or two functional groups attached, with the set of possible functional groups including both electron-withdrawing and electron-donating groups. In addition to observing the trends in potentials that result from differences in organic base groups and functional groups, we analyze the effects of molecular characteristics such as multiple bonds, Hammett parameters, and functional group position. In conclusion, this work provides useful guidance in determining how the identities of the base groups and functional groups are correlated with desirable reduction and oxidation potentials.« less

Effects of Functional Groups in Redox-Active Organic Molecules: A High-Throughput Screening Approach

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

Pelzer, Kenley M.; Cheng, Lei; Curtiss, Larry A.

Nonaqueous redox flow batteries have attracted recent attention with their potential for high electrochemical storage capacity, with organic electrolytes serving as solvents with a wide electrochemical stability window. Organic molecules can also serve as electroactive species, where molecules with low reduction potentials or high oxidation potentials can provide substantial chemical energy. To identify promising electrolytes in a vast chemical space, high-throughput screening (HTS) of candidate molecules plays an important role, where HTS is used to calculate properties of thousands of molecules and identify a few organic molecules worthy of further attention in battery research. Here, in this work, we presentmore » reduction and oxidation potentials obtained from HTS of 4178 molecules. The molecules are composed of base groups of five- or six-membered rings with one or two functional groups attached, with the set of possible functional groups including both electron-withdrawing and electron-donating groups. In addition to observing the trends in potentials that result from differences in organic base groups and functional groups, we analyze the effects of molecular characteristics such as multiple bonds, Hammett parameters, and functional group position. In conclusion, this work provides useful guidance in determining how the identities of the base groups and functional groups are correlated with desirable reduction and oxidation potentials.« less

Mechanistic simulation of normal-tissue damage in radiotherapy—implications for dose-volume analyses

NASA Astrophysics Data System (ADS)

Rutkowska, Eva; Baker, Colin; Nahum, Alan

2010-04-01

A radiobiologically based 3D model of normal tissue has been developed in which complications are generated when 'irradiated'. The aim is to provide insight into the connection between dose-distribution characteristics, different organ architectures and complication rates beyond that obtainable with simple DVH-based analytical NTCP models. In this model the organ consists of a large number of functional subunits (FSUs), populated by stem cells which are killed according to the LQ model. A complication is triggered if the density of FSUs in any 'critical functioning volume' (CFV) falls below some threshold. The (fractional) CFV determines the organ architecture and can be varied continuously from small (series-like behaviour) to large (parallel-like). A key feature of the model is its ability to account for the spatial dependence of dose distributions. Simulations were carried out to investigate correlations between dose-volume parameters and the incidence of 'complications' using different pseudo-clinical dose distributions. Correlations between dose-volume parameters and outcome depended on characteristics of the dose distributions and on organ architecture. As anticipated, the mean dose and V20 correlated most strongly with outcome for a parallel organ, and the maximum dose for a serial organ. Interestingly better correlation was obtained between the 3D computer model and the LKB model with dose distributions typical for serial organs than with those typical for parallel organs. This work links the results of dose-volume analyses to dataset characteristics typical for serial and parallel organs and it may help investigators interpret the results from clinical studies.

Fixed-bed column studies of total organic carbon removal from industrial wastewater by use of diatomite decorated with polyethylenimine-functionalized pyroxene nanoparticles.

PubMed

Hethnawi, Afif; Manasrah, Abdallah D; Vitale, Gerardo; Nassar, Nashaat N

2018-03-01

In this study, a fixed-bed column adsorption process was employed to remove organic pollutants from a real industrial wastewater effluent using polyethylenimine-functionalized pyroxene nanoparticles (PEI-PY) embedded into Diatomite at very low mass percentage. Various dynamic parameters (e.g., inlet concentration, inlet flow rate, bed height, and PEI-nanoparticle concentration in Diatomite, (%nps)) were investigated to determine the breakthrough behavior. The obtained breakthrough curves were fit with a convection-dispersion model to determine the characteristic parameters based on mass transfer phenomena. The axial dispersion coefficient (D L ) and group of dimensionless numbers; including Renold number (Re), Schmidt number (Sc), and Sherwood number (Sh) were all determined and correlated by Wilson-Geankoplis correlation that was used to estimate the external film diffusion coefficients (Kc) at 0.0015 < Re<55. Copyright © 2017 Elsevier Inc. All rights reserved.

Stability of Intercellular Exchange of Biochemical Substances Affected by Variability of Environmental Parameters

NASA Astrophysics Data System (ADS)

Mihailović, Dragutin T.; Budinčević, Mirko; Balaž, Igor; Mihailović, Anja

Communication between cells is realized by exchange of biochemical substances. Due to internal organization of living systems and variability of external parameters, the exchange is heavily influenced by perturbations of various parameters at almost all stages of the process. Since communication is one of essential processes for functioning of living systems it is of interest to investigate conditions for its stability. Using previously developed simplified model of bacterial communication in a form of coupled difference logistic equations we investigate stability of exchange of signaling molecules under variability of internal and external parameters.

Pyruvate in oral rehydration salt improves hemodynamics, vasopermeability and survival after burns in dogs.

PubMed

Liu, Rui; Hu, Xiao-Hang; Wang, Shu-Ming; Guo, Si-Jia; Li, Zong-Yu; Bai, Xiao-Dong; Zhou, Fang-Qiang; Hu, Sen

2016-06-01

To investigate whether pyruvate-enriched oral rehydration solution (Pyr-ORS), compared with citrate-enriched ORS (Cit-ORS), improves hemodynamics and organ function by alleviating vasopermeability and plasma volume loss during intra-gastric fluid rehydration in dogs with severe burn. Forty dogs subjected to severe burn were randomly divided into four groups (n=10): two oral rehydrated groups with Pyr-ORS and Cit-ORS (group PR and group CR), respectively, according to the Parkland formula during the first 24h after burns. Other two groups were the intravenous (IV) resuscitation (group VR) with lactated Ringer's solution with the same dosage and no fluid rehydration (group NR). During the next 24h, all groups received the same IV infusion. The hemodynamics, plasma volume, vasopermeability and water contents and function of various organs were determined. Plasma levels of vascular endothelial growth factor (VEGF) and platelet activating factor (PAF) were detected by ELISA. Hemodynamics parameters were significantly improved in group PR superior to group CR after burns. Levels of VEGF and PAF were significantly lower in group PR than in group CR. Organ function parameters were also greatly preserved in group PR, relative to groups CR and NR. Lactic acidosis was fully corrected and survival increased in group PR (50.0%), compared to group CR (20.0%). Pyr-ORS was more effective than Cit-ORS in improving hemodynamics, visceral blood perfusion and organ function by alleviating vasopermeability-induced visceral edema and plasma volume loss in dogs with severe burn. Copyright © 2016 Elsevier Ltd and ISBI. All rights reserved.

Mild traumatic brain injury: graph-model characterization of brain networks for episodic memory.

PubMed

Tsirka, Vasso; Simos, Panagiotis G; Vakis, Antonios; Kanatsouli, Kassiani; Vourkas, Michael; Erimaki, Sofia; Pachou, Ellie; Stam, Cornelis Jan; Micheloyannis, Sifis

2011-02-01

Episodic memory is among the cognitive functions that can be affected in the acute phase following mild traumatic brain injury (MTBI). The present study used EEG recordings to evaluate global synchronization and network organization of rhythmic activity during the encoding and recognition phases of an episodic memory task varying in stimulus type (kaleidoscope images, pictures, words, and pseudowords). Synchronization of oscillatory activity was assessed using a linear and nonlinear connectivity estimator and network analyses were performed using algorithms derived from graph theory. Twenty five MTBI patients (tested within days post-injury) and healthy volunteers were closely matched on demographic variables, verbal ability, psychological status variables, as well as on overall task performance. Patients demonstrated sub-optimal network organization, as reflected by changes in graph parameters in the theta and alpha bands during both encoding and recognition. There were no group differences in spectral energy during task performance or on network parameters during a control condition (rest). Evidence of less optimally organized functional networks during memory tasks was more prominent for pictorial than for verbal stimuli. Copyright © 2010 Elsevier B.V. All rights reserved.

Anomalous visual experiences, negative symptoms, perceptual organization and the magnocellular pathway in schizophrenia: a shared construct?

PubMed

Kéri, Szabolcs; Kiss, Imre; Kelemen, Oguz; Benedek, György; Janka, Zoltán

2005-10-01

Schizophrenia is associated with impaired visual information processing. The aim of this study was to investigate the relationship between anomalous perceptual experiences, positive and negative symptoms, perceptual organization, rapid categorization of natural images and magnocellular (M) and parvocellular (P) visual pathway functioning. Thirty-five unmedicated patients with schizophrenia and 20 matched healthy control volunteers participated. Anomalous perceptual experiences were assessed with the Bonn Scale for the Assessment Basic Symptoms (BSABS). General intellectual functions were evaluated with the revised version of the Wechsler Adult Intelligence Scale. The 1-9 version of the Continuous Performance Test (CPT) was used to investigate sustained attention. The following psychophysical tests were used: detection of Gabor patches with collinear and orthogonal flankers (perceptual organization), categorization of briefly presented natural scenes (rapid visual processing), low-contrast and frequency-doubling vernier threshold (M pathway functioning), isoluminant colour vernier threshold and high spatial frequency discrimination (P pathway functioning). The patients with schizophrenia were impaired on test of perceptual organization, rapid visual processing and M pathway functioning. There was a significant correlation between BSABS scores, negative symptoms, perceptual organization, rapid visual processing and M pathway functioning. Positive symptoms, IQ, CPT and P pathway measures did not correlate with these parameters. The best predictor of the BSABS score was the perceptual organization deficit. These results raise the possibility that multiple facets of visual information processing deficits can be explained by M pathway dysfunctions in schizophrenia, resulting in impaired attentional modulation of perceptual organization and of natural image categorization.

Do Quercus ilex Woodlands Undergo Abrupt Non-linear Changes in their Functional Dynamics in Response to Human Disturbance and Climatic Variation?

NASA Astrophysics Data System (ADS)

Bochet, E.; García-Fayos, P.; Molina, M. J.; Moreno de las Heras, M.; Espigares, T.; Nicolau, J. M.; Monleon, V. J.

2017-12-01

Theoretical models predict that drylands are particularly prone to suffer critical transitions with abrupt non-linear changes in their structure and functions as a result of the existing complex interactions between climatic fluctuations and human disturbances. How drylands undergo functional change has become an important issue in ecology which needs empirical data to validate theoretical models. We aim at determining the response of Mediterranean holm oak woodlands to human disturbance in three different climatic areas from Eastern Spain, under the hypothesis that semiarid and dry-transition landscapes are more prone to suffer abrupt functional changes than sub-humid ones. We used (a) remote-sensing estimations of precipitation-use-efficiency (PUE) from enhanced vegetation index (EVI) observations performed in 231 x 231 m plots of the Moderate Resolution Imaging Spectroradiometer (MODIS); (b) soil parameter (enzyme activity, organic matter) and (c) vegetation parameter (functional groups) determinations from soil sampling and vegetation surveys, respectively, performed in the same plots. We analyzed and compared the shape of the functional change (in terms of PUE, soil and vegetation parameters) in response to human disturbance intensity for our holm oak sites in the three climatic areas. Although no threshold of abrupt change is observed, important differences in the functional response of holm oak woodlands to disturbance exist between climatic conditions. Overall, semiarid and dry-transition woodlands suffer a non-linear functional decrease in terms of PUE, soil organic matter and enzyme activity with disturbance intensity. Differently, sub-humid woodlands experience a linear decrease of PUE with disturbance intensity and an increase of both soil parameters at high disturbance intensities after an important decrease at low disturbance intensities. The structural change from woody- to herbaceous-dominated landscapes in sub-humid areas explains the recovery of the functional state of the system at high disturbance intensities. This structural change in the vegetation provides resilience to sub-humid woodlands at high intensity levels where semiarid and dry-transition woodlands suffer a pronounced degradation.

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

Freitez, Juan A.; Sanchez, Morella; Ruette, Fernando

Application of simulated annealing (SA) and simplified GSA (SGSA) techniques for parameter optimization of parametric quantum chemistry method (CATIVIC) was performed. A set of organic molecules were selected for test these techniques. Comparison of the algorithms was carried out for error function minimization with respect to experimental values. Results show that SGSA is more efficient than SA with respect to computer time. Accuracy is similar in both methods; however, there are important differences in the final set of parameters.

Comparison of growth curve parameters of organs and body components in meat- (Coturnix coturnix coturnix) and laying-type (Coturnix coturnix japonica) quail show interactions between gender and genotype.

PubMed

Grieser, D O; Marcato, S M; Furlan, A C; Zancanela, V; Ton, A P S; Batista, E; Perine, T P; Pozza, P C; Sakomura, N K

2015-01-01

1. The objective of this study was to estimate growth parameters of carcass components (wing, thighs and drumsticks, back and breast) and organs (heart, liver, gizzard and gut) in males and females of one meat-type quail strain (Coturnix coturnix coturnix) and two laying strains (Coturnix coturnix japonica) designated either yellow or red. 2. A total of 1350 quail from 1 to 42 d old were distributed in a completely randomised design, with 5 replicates of each strain. The carcass component weights and body organs were analysed weekly and evaluated using the Gompertz function; growth rates were evaluated through derivative equations. 3. The meat-type strain presented the highest growth rates in carcass components and organs. Across strains, females showed the highest weight of internal organs at maturity compared to males. 4. Females had greater growth potential in breast, wings and back than males for both yellow and red laying quail.

Effects of subchronic extremely low-frequency electromagnetic field exposure on biochemical parameters in rats.

PubMed

Luo, Xue; Ma, Lingjuan; Gao, Peng; Zhang, Yanwen

2017-04-01

The objective of the present study was to systematically determine the effects of 50 Hertz (Hz) magnetic fields (MFs) on biochemical parameters in rats. Sixty-four adult (5 weeks old, 140-165 g) male Sprague-Dawley rats were randomly divided into four groups: sham, 20 µTesla (µT), 100 µT, and 500 µT 50 Hz MF ( n = 16 in each group). The rats in the MF groups were exposed for 2 h daily for up to 4 weeks. Under these experimental conditions, body weight, organ coefficients, biochemical parameters (blood lipids, myocardial enzymes, liver function, and renal function) were measured. We found that 50 Hz MFs had no significant effects on growth or on the majority of blood biochemical parameters, with the exception of creatinine and cholesterol. However, the changes in creatinine and cholesterol were relatively small and unlikely to be clinically relevant.

Know your neighbor: Microbiota and host epithelial cells interact locally to control intestinal function and physiology.

PubMed

Sommer, Felix; Bäckhed, Fredrik

2016-05-01

Interactions between the host and its associated microbiota differ spatially and the local cross talk determines organ function and physiology. Animals and their organs are not uniform but contain several functional and cellular compartments and gradients. In the intestinal tract, different parts of the gut carry out different functions, tissue structure varies accordingly, epithelial cells are differentially distributed and gradients exist for several physicochemical parameters such as nutrients, pH, or oxygen. Consequently, the microbiota composition also differs along the length of the gut, but also between lumen and mucosa of the same intestinal segment, and even along the crypt-villus axis in the epithelium. Thus, host-microbiota interactions are highly site-specific and the local cross talk determines intestinal function and physiology. Here we review recent advances in our understanding of site-specific host-microbiota interactions and discuss their functional relevance for host physiology. © 2016 WILEY Periodicals, Inc.

[Molecular combing method in the research of DNA replication parameters in isolated organs of Drosophyla melanogaster].

PubMed

Ivankin, A V; Kolesnikova, T D; Demakov, S A; Andreenkov, O V; Bil'danova, E R; Andreenkova, N G; Zhimulev, I F

2011-01-01

Methods of physical DNA mapping and direct visualization of replication and transcription in specific regions of genome play crucial role in the researches of structural and functional organization of eukaryotic genomes. Since DNA strands in the cells are organized into high-fold structure and present as highly compacted chromosomes, the majority of these methods have lower resolution at chromosomal level. One of the approaches to enhance the resolution and mapping accuracy is the method of molecular combing. The method is based on the process of stretching and alignment of DNA molecules that are covalently attached with one of the ends to the cover glass surface. In this article we describe the major methodological steps of molecular combing and their adaptation for researches of DNA replication parameters in polyploidy and diploid tissues of Drosophyla larvae.

Formal Techniques for Organization Analysis: Task and Resource Management

DTIC Science & Technology

1984-06-01

typical approach has been to base new entities on stereotypical structures and make changes as problems are recognized. Clearly, this is not an...human resources; and provide the means to change and track all 4 L I _ _ _ ____ I I these parameters as they interact with each other and respond to...functioning under internal and external change . 3. Data gathering techniques to allow one to efficiently r,’lect reliable modeling parameters from

Concurrent Image Processing Executive (CIPE). Volume 3: User's guide

NASA Technical Reports Server (NTRS)

Lee, Meemong; Cooper, Gregory T.; Groom, Steven L.; Mazer, Alan S.; Williams, Winifred I.; Kong, Mih-Seh

1990-01-01

CIPE (the Concurrent Image Processing Executive) is both an executive which organizes the parameter inputs for hypercube applications and an environment which provides temporary data workspace and simple real-time function definition facilities for image analysis. CIPE provides two types of user interface. The Command Line Interface (CLI) provides a simple command-driven environment allowing interactive function definition and evaluation of algebraic expressions. The menu interface employs a hierarchical screen-oriented menu system where the user is led through a menu tree to any specific application and then given a formatted panel screen for parameter entry. How to initialize the system through the setup function, how to read data into CIPE symbols, how to manipulate and display data through the use of executive functions, and how to run an application in either user interface mode, are described.

Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters

NASA Astrophysics Data System (ADS)

Du, Qishi; Mezey, Paul G.

1998-09-01

In this research we test and compare three possible atom-basedscreening functions used in the heuristic molecular lipophilicity potential(HMLP). Screening function 1 is a power distance-dependent function, b_{{i}} /| {R_{{i}}- r} |^γ, screening function 2is an exponential distance-dependent function, biexp(-| {R_i- r} |/d_0 , and screening function 3 is aweighted distance-dependent function, {{sign}}( {b_i } ){{exp}}ξ ( {| {R_i- r} |/| {b_i } |} )For every screening function, the parameters (γ ,d0, and ξ are optimized using 41 common organic molecules of 4 types of compounds:aliphatic alcohols, aliphatic carboxylic acids, aliphatic amines, andaliphatic alkanes. The results of calculations show that screening function3 cannot give chemically reasonable results, however, both the powerscreening function and the exponential screening function give chemicallysatisfactory results. There are two notable differences between screeningfunctions 1 and 2. First, the exponential screening function has largervalues in the short distance than the power screening function, thereforemore influence from the nearest neighbors is involved using screeningfunction 2 than screening function 1. Second, the power screening functionhas larger values in the long distance than the exponential screeningfunction, therefore screening function 1 is effected by atoms at longdistance more than screening function 2. For screening function 1, thesuitable range of parameter d0 is 1.5 < d0 < 3.0, and d0 = 2.0 is recommended. HMLP developed in this researchprovides a potential tool for computer-aided three-dimensional drugdesign.

Distinctive Correspondence Between Separable Visual Attention Functions and Intrinsic Brain Networks

PubMed Central

Ruiz-Rizzo, Adriana L.; Neitzel, Julia; Müller, Hermann J.; Sorg, Christian; Finke, Kathrin

2018-01-01

Separable visual attention functions are assumed to rely on distinct but interacting neural mechanisms. Bundesen's “theory of visual attention” (TVA) allows the mathematical estimation of independent parameters that characterize individuals' visual attentional capacity (i.e., visual processing speed and visual short-term memory storage capacity) and selectivity functions (i.e., top-down control and spatial laterality). However, it is unclear whether these parameters distinctively map onto different brain networks obtained from intrinsic functional connectivity, which organizes slowly fluctuating ongoing brain activity. In our study, 31 demographically homogeneous healthy young participants performed whole- and partial-report tasks and underwent resting-state functional magnetic resonance imaging (rs-fMRI). Report accuracy was modeled using TVA to estimate, individually, the four TVA parameters. Networks encompassing cortical areas relevant for visual attention were derived from independent component analysis of rs-fMRI data: visual, executive control, right and left frontoparietal, and ventral and dorsal attention networks. Two TVA parameters were mapped on particular functional networks. First, participants with higher (vs. lower) visual processing speed showed lower functional connectivity within the ventral attention network. Second, participants with more (vs. less) efficient top-down control showed higher functional connectivity within the dorsal attention network and lower functional connectivity within the visual network. Additionally, higher performance was associated with higher functional connectivity between networks: specifically, between the ventral attention and right frontoparietal networks for visual processing speed, and between the visual and executive control networks for top-down control. The higher inter-network functional connectivity was related to lower intra-network connectivity. These results demonstrate that separable visual attention parameters that are assumed to constitute relatively stable traits correspond distinctly to the functional connectivity both within and between particular functional networks. This implies that individual differences in basic attention functions are represented by differences in the coherence of slowly fluctuating brain activity. PMID:29662444

Distinctive Correspondence Between Separable Visual Attention Functions and Intrinsic Brain Networks.

PubMed

Ruiz-Rizzo, Adriana L; Neitzel, Julia; Müller, Hermann J; Sorg, Christian; Finke, Kathrin

2018-01-01

Separable visual attention functions are assumed to rely on distinct but interacting neural mechanisms. Bundesen's "theory of visual attention" (TVA) allows the mathematical estimation of independent parameters that characterize individuals' visual attentional capacity (i.e., visual processing speed and visual short-term memory storage capacity) and selectivity functions (i.e., top-down control and spatial laterality). However, it is unclear whether these parameters distinctively map onto different brain networks obtained from intrinsic functional connectivity, which organizes slowly fluctuating ongoing brain activity. In our study, 31 demographically homogeneous healthy young participants performed whole- and partial-report tasks and underwent resting-state functional magnetic resonance imaging (rs-fMRI). Report accuracy was modeled using TVA to estimate, individually, the four TVA parameters. Networks encompassing cortical areas relevant for visual attention were derived from independent component analysis of rs-fMRI data: visual, executive control, right and left frontoparietal, and ventral and dorsal attention networks. Two TVA parameters were mapped on particular functional networks. First, participants with higher (vs. lower) visual processing speed showed lower functional connectivity within the ventral attention network. Second, participants with more (vs. less) efficient top-down control showed higher functional connectivity within the dorsal attention network and lower functional connectivity within the visual network. Additionally, higher performance was associated with higher functional connectivity between networks: specifically, between the ventral attention and right frontoparietal networks for visual processing speed, and between the visual and executive control networks for top-down control. The higher inter-network functional connectivity was related to lower intra-network connectivity. These results demonstrate that separable visual attention parameters that are assumed to constitute relatively stable traits correspond distinctly to the functional connectivity both within and between particular functional networks. This implies that individual differences in basic attention functions are represented by differences in the coherence of slowly fluctuating brain activity.

A recurrent self-organizing neural fuzzy inference network.

PubMed

Juang, C F; Lin, C T

1999-01-01

A recurrent self-organizing neural fuzzy inference network (RSONFIN) is proposed in this paper. The RSONFIN is inherently a recurrent multilayered connectionist network for realizing the basic elements and functions of dynamic fuzzy inference, and may be considered to be constructed from a series of dynamic fuzzy rules. The temporal relations embedded in the network are built by adding some feedback connections representing the memory elements to a feedforward neural fuzzy network. Each weight as well as node in the RSONFIN has its own meaning and represents a special element in a fuzzy rule. There are no hidden nodes (i.e., no membership functions and fuzzy rules) initially in the RSONFIN. They are created on-line via concurrent structure identification (the construction of dynamic fuzzy if-then rules) and parameter identification (the tuning of the free parameters of membership functions). The structure learning together with the parameter learning forms a fast learning algorithm for building a small, yet powerful, dynamic neural fuzzy network. Two major characteristics of the RSONFIN can thus be seen: 1) the recurrent property of the RSONFIN makes it suitable for dealing with temporal problems and 2) no predetermination, like the number of hidden nodes, must be given, since the RSONFIN can find its optimal structure and parameters automatically and quickly. Moreover, to reduce the number of fuzzy rules generated, a flexible input partition method, the aligned clustering-based algorithm, is proposed. Various simulations on temporal problems are done and performance comparisons with some existing recurrent networks are also made. Efficiency of the RSONFIN is verified from these results.

Dynamics of Female Pelvic Floor Function Using Urodynamics, Ultrasound and Magnetic Resonance Imaging (MRI)

PubMed Central

Constantinou, Christos E.

2009-01-01

In this review the diagnostic potential of evaluating female pelvic floor muscle (PFM)) function using magnetic and ultrasound imaging in the context of urodynamic observations is considered in terms of determining the mechanisms of urinary continence. A new approach is used to consider the dynamics of PFM activity by introducing new parameters derived from imaging. Novel image processing techniques are applied to illustrate the static anatomy and dynamics PFM function of stress incontinent women pre and post operatively as compared to asymptomatic subjects. Function was evaluated from the dynamics of organ displacement produced during voluntary and reflex activation. Technical innovations include the use of ultrasound analysis of movement of structures during maneuvers that are associated with external stimuli. Enabling this approach is the development of criteria and fresh and unique parameters that define the kinematics of PFM function. Principal among these parameters, are displacement, velocity, acceleration and the trajectory of pelvic floor landmarks. To accomplish this objective, movement detection, including motion tracking algorithms and segmentation algorithms were developed to derive new parameters of trajectory, displacement, velocity and acceleration, and strain of pelvic structures during different maneuvers. Results highlight the importance of timing the movement and deformation to fast and stressful maneuvers, which are important for understanding the neuromuscular control and function of PFM. Furthermore, observations suggest that timing of responses is a significant factor separating the continent from the incontinent subjects. PMID:19303690

[The interactions of functional systems at the homeostatic level in normal children and adolescents and in a radioecologically unfavorable environment].

PubMed

Glazachev, O S; Sudakov, K V

1999-01-01

In the article theoretical and application development of one of postulates of the Anokhin's theory of functional systems--the principle of multiparametric interaction is attempted in study of singularities of intersystem relationships of a number of leading functional homeostatic systems in a developing adolescent's organism living in radioecological unfavorable conditions and during rehabilitational procedures with application of interval dosed normobaric hypoxia. On the basis of a dynamic research of parameters cardiorespiratory and vegetative-humoral homeostasis is established, that the acclimatization of a children's organism to the factors of ecological and social risk in regions under small doses of radionuclides contamination is exhibited in reorganization of multiparametric relations of functional systems: a) increase of "rigidity" of intrasystem links separate cardiovascular effectors, b) of maximum activation sympathetic, pituitary-adrenal and pituitary-thyroid axes of a system stress-response, c) lack of intersystem consolidation of cardiorespiratory functional systems at a level of useful adaptive results. Thus character of interaction of homeostatic functional systems, their stability depend on personal combination of typological singularities in "the integral constitution" of the child-types of a vegetative regulation, somatic constitution, versions of emotional uneasiness. Principally important that it is revealed the capability of a correction in intersystem relations of homeostatic parameters, in particular, with the use of interval normobaric hypoxia of training (IHT). Hypoxic indorsements rendering the influence first of all through an exterior link of a functional system of breathing is carry on to recovery of integration of functional systems defining a homeostasis for children as at a level useful adaptive results. Thus the role initially high neurohumoral activity in achievement of best values cerebral, peripheral blood flow, lung ventilation is reduced, the contribution of separate effectors to security of physical functionality and aerobic capabilities of a children's organism "is equilibrated".

Activity of oxiracetam in patients with organic brain syndrome: a neuropsychological study.

PubMed

Moglia, A; Sinforiani, E; Zandrini, C; Gualtieri, S; Corsico, R; Arrigo, A

1986-01-01

Oxiracetam is a new psychotropic drug that has been shown to positively affect processes both in animals and in patients with impaired brain function. The aim of this study was the evaluation of the effects of oxiracetam treatment on clinical symptoms in 43 patients with organic brain syndrome (OBS). After a 2-week washout period, patients were assigned to either oxiracetam or placebo, according to a randomized, double-blind, between-patients design. Both oxiracetam and placebo were orally given bid for 8 weeks; daily dose of oxiracetam was 2 X 800 mg. In OBS patients with a mild to moderate degree of cognitive impairment, oxiracetam showed to improve cognitive functions, logical performance, and attention. Other behavioral and functional parameters were also positively modified.

A new methodology based on sensitivity analysis to simplify the recalibration of functional-structural plant models in new conditions.

PubMed

Mathieu, Amélie; Vidal, Tiphaine; Jullien, Alexandra; Wu, QiongLi; Chambon, Camille; Bayol, Benoit; Cournède, Paul-Henry

2018-06-19

Functional-structural plant models (FSPMs) describe explicitly the interactions between plants and their environment at organ to plant scale. However, the high level of description of the structure or model mechanisms makes this type of model very complex and hard to calibrate. A two-step methodology to facilitate the calibration process is proposed here. First, a global sensitivity analysis method was applied to the calibration loss function. It provided first-order and total-order sensitivity indexes that allow parameters to be ranked by importance in order to select the most influential ones. Second, the Akaike information criterion (AIC) was used to quantify the model's quality of fit after calibration with different combinations of selected parameters. The model with the lowest AIC gives the best combination of parameters to select. This methodology was validated by calibrating the model on an independent data set (same cultivar, another year) with the parameters selected in the second step. All the parameters were set to their nominal value; only the most influential ones were re-estimated. Sensitivity analysis applied to the calibration loss function is a relevant method to underline the most significant parameters in the estimation process. For the studied winter oilseed rape model, 11 out of 26 estimated parameters were selected. Then, the model could be recalibrated for a different data set by re-estimating only three parameters selected with the model selection method. Fitting only a small number of parameters dramatically increases the efficiency of recalibration, increases the robustness of the model and helps identify the principal sources of variation in varying environmental conditions. This innovative method still needs to be more widely validated but already gives interesting avenues to improve the calibration of FSPMs.

On the Interplay between Order Parameter Dynamics and System Parameter Dynamics in Human Perceptual-Cognitive-Behavioral Systems.

PubMed

Frank, T D

2015-04-01

Previous research has demonstrated that perceiving, thinking, and acting are human activities that correspond to self-organized patterns. The emergence of such patterns can be completely described in terms of the dynamics of the pattern amplitudes, which are referred to as order parameters. The patterns emerge at bifurcations points when certain system parameters internal and external to a human agent exceed critical values. At issue is how one might study the order parameter dynamics for sequences of consecutive, emergent perceptual, cognitive, or behavioral activities. In particular, these activities may in turn impact the system parameters that have led to the emergence of the activities in the first place. This interplay between order parameter dynamics and system parameter dynamics is discussed in general and formulated in mathematical terms. Previous work that has made use of this two-tiered framework of order parameter and system parameter dynamics are briefly addressed. As an application, a model for perception under functional fixedness is presented. Finally, it is argued that the phenomena that emerge in this framework and can be observed when human agents perceive, think, and act are just as likely to occur in pattern formation systems of the inanimate world. Consequently, these phenomena do not necessarily have a neurophysiological basis but should instead be understood from the perspective of the theory of self-organization.

Real Time Monitoring of Dissolved Organic Carbon Concentration and Disinfection By-Product Formation Potential in a Surface Water Treatment Plant with Simulaneous UV-VIS Absorbance and Fluorescence Excitation-Emission Mapping

NASA Astrophysics Data System (ADS)

Gilmore, A. M.

2015-12-01

This study describes a method based on simultaneous absorbance and fluorescence excitation-emission mapping for rapidly and accurately monitoring dissolved organic carbon concentration and disinfection by-product formation potential for surface water sourced drinking water treatment. The method enables real-time monitoring of the Dissolved Organic Carbon (DOC), absorbance at 254 nm (UVA), the Specific UV Absorbance (SUVA) as well as the Simulated Distribution System Trihalomethane (THM) Formation Potential (SDS-THMFP) for the source and treated water among other component parameters. The method primarily involves Parallel Factor Analysis (PARAFAC) decomposition of the high and lower molecular weight humic and fulvic organic component concentrations. The DOC calibration method involves calculating a single slope factor (with the intercept fixed at 0 mg/l) by linear regression for the UVA divided by the ratio of the high and low molecular weight component concentrations. This method thus corrects for the changes in the molecular weight component composition as a function of the source water composition and coagulation treatment effects. The SDS-THMFP calibration involves a multiple linear regression of the DOC, organic component ratio, chlorine residual, pH and alkalinity. Both the DOC and SDS-THMFP correlations over a period of 18 months exhibited adjusted correlation coefficients with r2 > 0.969. The parameters can be reported as a function of compliance rules associated with required % removals of DOC (as a function of alkalinity) and predicted maximum contaminant levels (MCL) of THMs. The single instrument method, which is compatible with continuous flow monitoring or grab sampling, provides a rapid (2-3 minute) and precise indicator of drinking water disinfectant treatability without the need for separate UV photometric and DOC meter measurements or independent THM determinations.

Prediction of radiation-induced normal tissue complications in radiotherapy using functional image data

NASA Astrophysics Data System (ADS)

Nioutsikou, Elena; Partridge, Mike; Bedford, James L.; Webb, Steve

2005-03-01

The aim of this study has been to explicitly include the functional heterogeneity of an organ as a factor that contributes to the probability of complication of normal tissues following radiotherapy. Situations for which the inclusion of this information can be advantageous to the design of treatment plans are then investigated. A Java program has been implemented for this purpose. This makes use of a voxelated model of a patient, which is based on registered anatomical and functional data in order to enable functional voxel weighting. Using this model, the functional dose-volume histogram (fDVH) and the functional normal tissue complication probability (fNTCP) are then introduced as extensions to the conventional dose-volume histogram (DVH) and normal tissue complication probability (NTCP). In the presence of functional heterogeneity, these tools are physically more meaningful for plan evaluation than the traditional indices, as they incorporate additional information and are anticipated to show a better correlation with outcome. New parameters mf, nf and TD50f are required to replace the m, n and TD50 parameters. A range of plausible values was investigated, awaiting fitting of these new parameters to patient outcomes where functional data have been measured. As an example, the model is applied to two lung datasets utilizing accurately registered computed tomography (CT) and single photon emission computed tomography (SPECT) perfusion scans. Assuming a linear perfusion-function relationship, the biological index mean perfusion weighted lung dose (MPWLD) has been extracted from integration over outlined regions of interest. In agreement with the MPWLD ranking, the fNTCP predictions reveal that incorporation of functional imaging in radiotherapy treatment planning is most beneficial for organs with a large volume effect and large focal areas of dysfunction. There is, however, no additional advantage in cases presenting with homogeneous function. Although presented for lung radiotherapy, this model is general. It can also be applied to positron emission tomography (PET)-CT or functional magnetic resonance imaging (fMRI)-CT registered data and extended to the functional description of tumour control probability.

PECULIAIRITIES OF MELATONIN EFFECT ON CHONORHYTMIC ORGANIZATION OF KIDNEY ACID-REGULATING FUNCTION INFLUENCED BY NITROGEN MONOXIDE SYNTHESIS BLOCKADE UNDER CONDITIONS OF PINEAL GLAND HYPOFUNCTION.

PubMed

Semenenko, S; Tymofiychuk, I; Boreyko, L; Karatieieva, S; Slobodian, K

2017-10-01

The objective of research is to study the peculiarities of melatonin effect on chronorhythmic organization of the kidney acid-regulating function influenced by nitrogen monoxide (NO) synthesis blockade under conditions of pineal gland (PG) hypofunction. The experiments were conducted on 72 mature non-linear albino male rats with their body mass 0,15-0,18 kg. The animals were kept under vivarium conditions at a stable temperature and air humidity fed on a standard dietary intake. The control group included animals (n=36) kept under conditions of usual light regimen (12.00С:12.00Т) during 7 days. The experimental group included animals (n=36) injected with N-nitro-L-arginine (L-NNA) in the dose of 20 mg/kg during 7 days under conditions of continuous light (12.00С:12.00С) and melatonin in the dose of 0,5 mg/kg during 7 days simultaneously. On the 8th day the animals were exposed to 5% water load with heated to room temperature water supplied and the parameters of the kidney acid-regulating function under conditions of forced diuresis were investigated. Kidney functions in the control animals are subordinated to accurate circadian organization. Daily rhythms of the parameters of kidney acid-regulating functions reflect similar changes of the renal processes. Chronorhythmic transformations of the kidney acid-regulating functions in animals with blocked NO synthesis against continuous light and parallel injection of melatonin enable to suggest that NO synthesis blockade under conditions of melatonin correction reduces daily mean pH level as compared to the control. Although, it was higher than that in the animals with blocked NO synthesis against the ground of physiological function of the pineal gland, and animals with PG hypofunction under conditions of NO synthesis blockadeю Therefore, under conditions of L-NNA blockade of NO synthesis and injection of melatonin influenced by PG hypofunction chronorhythmic transformations of architectonics and phase structure of rhythms of the majority of parameters of the kidney acid-regulating function were found, which is an important diagnostic sign of exertion of adaptive possibilities on the border of transmission of adaptation into disadaptation, were detected.

Parameter Estimations of Dynamic Energy Budget (DEB) Model over the Life History of a Key Antarctic Species: The Antarctic Sea Star Odontaster validus Koehler, 1906.

PubMed

Agüera, Antonio; Collard, Marie; Jossart, Quentin; Moreau, Camille; Danis, Bruno

2015-01-01

Marine organisms in Antarctica are adapted to an extreme ecosystem including extremely stable temperatures and strong seasonality due to changes in day length. It is now largely accepted that Southern Ocean organisms are particularly vulnerable to global warming with some regions already being challenged by a rapid increase of temperature. Climate change affects both the physical and biotic components of marine ecosystems and will have an impact on the distribution and population dynamics of Antarctic marine organisms. To predict and assess the effect of climate change on marine ecosystems a more comprehensive knowledge of the life history and physiology of key species is urgently needed. In this study we estimate the Dynamic Energy Budget (DEB) model parameters for key benthic Antarctic species the sea star Odontaster validus using available information from literature and experiments. The DEB theory is unique in capturing the metabolic processes of an organism through its entire life cycle as a function of temperature and food availability. The DEB model allows for the inclusion of the different life history stages, and thus, becomes a tool that can be used to model lifetime feeding, growth, reproduction, and their responses to changes in biotic and abiotic conditions. The DEB model presented here includes the estimation of reproduction handling rules for the development of simultaneous oocyte cohorts within the gonad. Additionally it links the DEB model reserves to the pyloric caeca an organ whose function has long been ascribed to energy storage. Model parameters described a slowed down metabolism of long living animals that mature slowly. O. validus has a large reserve that-matching low maintenance costs- allow withstanding long periods of starvation. Gonad development is continuous and individual cohorts developed within the gonads grow in biomass following a power function of the age of the cohort. The DEB model developed here for O. validus allowed us to increase our knowledge on the ecophysiology of this species, providing new insights on the role of food availability and temperature on its life cycle and reproduction strategy.

Mathematical model for the contribution of individual organs to non-zero y-intercepts in single and multi-compartment linear models of whole-body energy expenditure.

PubMed

Kaiyala, Karl J

2014-01-01

Mathematical models for the dependence of energy expenditure (EE) on body mass and composition are essential tools in metabolic phenotyping. EE scales over broad ranges of body mass as a non-linear allometric function. When considered within restricted ranges of body mass, however, allometric EE curves exhibit 'local linearity.' Indeed, modern EE analysis makes extensive use of linear models. Such models typically involve one or two body mass compartments (e.g., fat free mass and fat mass). Importantly, linear EE models typically involve a non-zero (usually positive) y-intercept term of uncertain origin, a recurring theme in discussions of EE analysis and a source of confounding in traditional ratio-based EE normalization. Emerging linear model approaches quantify whole-body resting EE (REE) in terms of individual organ masses (e.g., liver, kidneys, heart, brain). Proponents of individual organ REE modeling hypothesize that multi-organ linear models may eliminate non-zero y-intercepts. This could have advantages in adjusting REE for body mass and composition. Studies reveal that individual organ REE is an allometric function of total body mass. I exploit first-order Taylor linearization of individual organ REEs to model the manner in which individual organs contribute to whole-body REE and to the non-zero y-intercept in linear REE models. The model predicts that REE analysis at the individual organ-tissue level will not eliminate intercept terms. I demonstrate that the parameters of a linear EE equation can be transformed into the parameters of the underlying 'latent' allometric equation. This permits estimates of the allometric scaling of EE in a diverse variety of physiological states that are not represented in the allometric EE literature but are well represented by published linear EE analyses.

Transition to organized behavior on suspensions of concentrated bacteria

NASA Astrophysics Data System (ADS)

Ganguly, Sujoy; Cisneros, Luis; Kessler, John; Goldstein, Raymond

2008-11-01

Concentrated populations of the swimming bacterium Bacillus subtilis develop a collective phase, the Zooming BioNematic, that exhibits large-scale coherence analogous to the molecular alignment of nematic liquid crystals. Bacterial suspensions were prepared in order to experimentally measure the transition to organized behavior as a function of the cell number concentration. PIV analysis was used to obtain cell velocities and define an order parameter in order to characterize the dynamics of the system.

Prediction of cloud condensation nuclei activity for organic compounds using functional group contribution methods

DOE PAGES

Petters, M. D.; Kreidenweis, S. M.; Ziemann, P. J.

2016-01-19

A wealth of recent laboratory and field experiments demonstrate that organic aerosol composition evolves with time in the atmosphere, leading to changes in the influence of the organic fraction to cloud condensation nuclei (CCN) spectra. There is a need for tools that can realistically represent the evolution of CCN activity to better predict indirect effects of organic aerosol on clouds and climate. This work describes a model to predict the CCN activity of organic compounds from functional group composition. Following previous methods in the literature, we test the ability of semi-empirical group contribution methods in Kohler theory to predict themore » effective hygroscopicity parameter, kappa. However, in our approach we also account for liquid–liquid phase boundaries to simulate phase-limited activation behavior. Model evaluation against a selected database of published laboratory measurements demonstrates that kappa can be predicted within a factor of 2. Simulation of homologous series is used to identify the relative effectiveness of different functional groups in increasing the CCN activity of weakly functionalized organic compounds. Hydroxyl, carboxyl, aldehyde, hydroperoxide, carbonyl, and ether moieties promote CCN activity while methylene and nitrate moieties inhibit CCN activity. Furthermore, the model can be incorporated into scale-bridging test beds such as the Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) to evaluate the evolution of kappa for a complex mix of organic compounds and to develop suitable parameterizations of CCN evolution for larger-scale models.« less

Estimation of π-π Electronic Couplings from Current Measurements.

PubMed

Trasobares, J; Rech, J; Jonckheere, T; Martin, T; Aleveque, O; Levillain, E; Diez-Cabanes, V; Olivier, Y; Cornil, J; Nys, J P; Sivakumarasamy, R; Smaali, K; Leclere, P; Fujiwara, A; Théron, D; Vuillaume, D; Clément, N

2017-05-10

The π-π interactions between organic molecules are among the most important parameters for optimizing the transport and optical properties of organic transistors, light-emitting diodes, and (bio-) molecular devices. Despite substantial theoretical progress, direct experimental measurement of the π-π electronic coupling energy parameter t has remained an old challenge due to molecular structural variability and the large number of parameters that affect the charge transport. Here, we propose a study of π-π interactions from electrochemical and current measurements on a large array of ferrocene-thiolated gold nanocrystals. We confirm the theoretical prediction that t can be assessed from a statistical analysis of current histograms. The extracted value of t ≈35 meV is in the expected range based on our density functional theory analysis. Furthermore, the t distribution is not necessarily Gaussian and could be used as an ultrasensitive technique to assess intermolecular distance fluctuation at the subangström level. The present work establishes a direct bridge between quantum chemistry, electrochemistry, organic electronics, and mesoscopic physics, all of which were used to discuss results and perspectives in a quantitative manner.

Hydrolytic microbial communities in terrestrial ecosystems

NASA Astrophysics Data System (ADS)

Manucharova, Natalia; Chernov, Timofey; Kolcova, Ekaterina; Zelezova, Alena; Lukacheva, Euhenia; Zenova, Galina

2014-05-01

Hydrolytic microbial communities in terrestrial ecosystems Manucharova N.A., Chernov T.I., Kolcova E.M., Zelezova A.D., Lukacheva E.G. Lomonosov Moscow State University, Russia Vertical differentiation of terrestrial biogeocenoses is conditioned by the formation of vertical tiers that differ considerably in the composition and structure of microbial communities. All the three tiers, phylloplane, litter and soil, are united by a single flow of organic matter, and are spatially separated successional stages of decomposition of organic substances. Decomposition of organic matter is mainly due to the activity of microorganisms producing enzymes - hydrolase and lyase - which destroy complex organic compounds. Application of molecular biological techniques (FISH) in environmental studies provides a more complete information concerning the taxonomic diversity and potential hydrolytic activity of microbial complexes of terrestrial ecosystems that exist in a wide range of environmental factors (moisture, temperature, redox potential, organic matter). The combination of two molecular biological techniques (FISH and DGGE-analysis of fragments of gene 16S rRNA total amplificate) enables an informative assessment of the differences in the structure of dominant and minor components of hydrolytic complexes formed in different tiers of terrestrial ecosystems. The functional activity of hydrolytic microbial complexes of terrestrial ecosystems is determined by the activity of dominant and minor components, which also have a high gross enzymatic activity. Degradation of biopolymers in the phylloplane is mainly due to the representatives of the Proteobacteria phylogenetic group (classes alpha and beta). In mineral soil horizons, the role of hydrolytic representatives of Firmicutes and Actinobacteria increases. Among the key environmental parameters that determine the functional activity of the hydrolytic (chitinolytic) complex of soil layer (moisture, nutrient supply, successional time), the most significant one is moisture. Moisture levels providing maximum activity of a hydrolytic microbial complex depend on the soil type. Development of a hydrolytic microbial complex occurs in a very wide moisture range - from values close to field capacity to those close to the wilting moisture point. The functional role of mycelial actinobacteria in the metabolism of chitin consists, on the one hand, in active decomposition of this biopolymer, and on the other hand, in the regulation of microbial hydrolytic complex activity through the production of biologically active regulatory metabolites, which occurs in a wide range of environmental parameters (moisture, temperature, organic matter, successional time). Experimental design is applicable to identify in situ optimal values of environmental factors that considerably affect the functional parameters of hydrolytic microbial complexes.

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

Song, Jie; Viengkham, Malathong; Bertozzi, Carolyn R.

The controlled integration of organic and inorganic components confers natural bone with superior mechanical properties. Bone biogenesis is thought to occur by templated mineralization of hard apatite crystals by an elastic protein scaffold, a process we sought to emulate with synthetic biomimetic hydrogel polymers. Crosslinked polymethacrylamide and polymethacrylate hydrogels were functionalized with mineral-binding ligands and used to template the formation of hydroxyapatite. Strong adhesion between the organic and inorganic materials was achieved for hydrogels functionalized with either carboxylate or hydroxy ligands. The mineral-nucleating potential of hydroxyl groups identified here broadens the design parameters for synthetic bone-like composites and suggests amore » potential role for hydroxylated collagen proteins in bone mineralization.« less

Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules

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

Vuong, Van Quan; Akkarapattiakal Kuriappan, Jissy; Kubillus, Maximilian

In this paper, we present the parametrization and benchmark of long-range corrected second-order density functional tight binding (DFTB), LC-DFTB2, for organic and biological molecules. The LC-DFTB2 model not only improves fundamental orbital energy gaps but also ameliorates the DFT self-interaction error and overpolarization problem, and further improves charge-transfer excited states significantly. Electronic parameters for the construction of the DFTB2 Hamiltonian as well as repulsive potentials were optimized for molecules containing C, H, N, and O chemical elements. We use a semiautomatic parametrization scheme based on a genetic algorithm. With the new parameters, LC-DFTB2 describes geometries and vibrational frequencies of organicmore » molecules similarly well as third-order DFTB3/3OB, the de facto standard parametrization based on a GGA functional. Finally, LC-DFTB2 performs well also for atomization and reaction energies, however, slightly less satisfactorily than DFTB3/3OB.« less

Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules

DOE PAGES

Vuong, Van Quan; Akkarapattiakal Kuriappan, Jissy; Kubillus, Maximilian; ...

2017-12-12

In this paper, we present the parametrization and benchmark of long-range corrected second-order density functional tight binding (DFTB), LC-DFTB2, for organic and biological molecules. The LC-DFTB2 model not only improves fundamental orbital energy gaps but also ameliorates the DFT self-interaction error and overpolarization problem, and further improves charge-transfer excited states significantly. Electronic parameters for the construction of the DFTB2 Hamiltonian as well as repulsive potentials were optimized for molecules containing C, H, N, and O chemical elements. We use a semiautomatic parametrization scheme based on a genetic algorithm. With the new parameters, LC-DFTB2 describes geometries and vibrational frequencies of organicmore » molecules similarly well as third-order DFTB3/3OB, the de facto standard parametrization based on a GGA functional. Finally, LC-DFTB2 performs well also for atomization and reaction energies, however, slightly less satisfactorily than DFTB3/3OB.« less

Effects of environmental and water quality parameters on the functioning of copepod assemblages in tropical estuaries

NASA Astrophysics Data System (ADS)

Araujo, Adriana V.; Dias, Cristina O.; Bonecker, Sérgio L. C.

2017-07-01

We examined changes in the functioning of copepod assemblages with increasing pollution in estuaries, using sampling standardization of the salinity range to enable comparisons. Copepod assemblages were analyzed in four southeast Brazilian estuaries with different water quality levels and hydrodynamic characteristics over two years. We obtained mesozooplankton samples together with environmental and water quality parameters in the estuaries, every two months under predetermined salinities ranging from 15 to 25. The values of parameters, except species size, associated with the functioning of the copepod assemblages (biomass, productivity, and turnover rate) did not differ among estuaries. However, in the more polluted estuaries, the biomass and productivity of copepod assemblages of mesozooplankton were negatively correlated with concentration of pollution indicator parameters. Conversely, in the less polluted estuaries some degree of enrichment still seems to increase the system biomass and productivity, as these parameters were inversely related to indicators of improved water quality. The pollution level of estuaries distorted the relationship between temperature and the efficiency of converting energy to organic matter. In the less polluted estuaries, the relationship between turnover rate and temperature was over 70%, while in the most polluted estuaries, this relationship was only approximately 50%. Our results demonstrated that the functioning of assemblages in the estuaries was affected differently by increasing pollution depending on the water quality level of the system. Thus, investigating the functioning of assemblages can be a useful tool for the analysis of estuarine conditions.

Linear free-energy relationships and the density functional theory: an analog of the hammett equation.

PubMed

Simón-Manso, Yamil

2005-03-10

Density functional theory has been applied to describe electronic substituent effects, especially in the pursuit of linear relationships similar to those observed from physical organic chemistry experiments. In particular, analogues for the Hammett equation parameters (sigma, rho) have been developed. Theoretical calculations were performed on several series of organic molecules in order to validate our model and for comparison with experimental results. The trends obtained by Hammett-like relations predicted by the model were found to be in qualitative agreement with the experimental data. The results obtained in this study suggest the applicability of similar correlation analysis based on theoretical methodologies that do not make use of empirical fits to experimental data can be useful in the study of substituent effects in organic chemistry.

Heuristic lipophilicity potential for computer-aided rational drug design: optimizations of screening functions and parameters.

PubMed

Du, Q; Mezey, P G

1998-09-01

In this research we test and compare three possible atom-based screening functions used in the heuristic molecular lipophilicity potential (HMLP). Screening function 1 is a power distance-dependent function, bi/[formula: see text] Ri-r [formula: see text] gamma, screening function 2 is an exponential distance-dependent function, bi exp(-[formula: see text] Ri-r [formula: see text]/d0), and screening function 3 is a weighted distance-dependent function, sign(bi) exp[-xi [formula: see text] Ri-r [formula: see text]/magnitude of bi)]. For every screening function, the parameters (gamma, d0, and xi) are optimized using 41 common organic molecules of 4 types of compounds: aliphatic alcohols, aliphatic carboxylic acids, aliphatic amines, and aliphatic alkanes. The results of calculations show that screening function 3 cannot give chemically reasonable results, however, both the power screening function and the exponential screening function give chemically satisfactory results. There are two notable differences between screening functions 1 and 2. First, the exponential screening function has larger values in the short distance than the power screening function, therefore more influence from the nearest neighbors is involved using screening function 2 than screening function 1. Second, the power screening function has larger values in the long distance than the exponential screening function, therefore screening function 1 is effected by atoms at long distance more than screening function 2. For screening function 1, the suitable range of parameter gamma is 1.0 < gamma < 3.0, gamma = 2.3 is recommended, and gamma = 2.0 is the nearest integral value. For screening function 2, the suitable range of parameter d0 is 1.5 < d0 < 3.0, and d0 = 2.0 is recommended. HMLP developed in this research provides a potential tool for computer-aided three-dimensional drug design.

Interpretation of the results of statistical measurements. [search for basic probability model

NASA Technical Reports Server (NTRS)

Olshevskiy, V. V.

1973-01-01

For random processes, the calculated probability characteristic, and the measured statistical estimate are used in a quality functional, which defines the difference between the two functions. Based on the assumption that the statistical measurement procedure is organized so that the parameters for a selected model are optimized, it is shown that the interpretation of experimental research is a search for a basic probability model.

Effect of self-organization, defects, impurities, and autocatalytic processes on the parameters of ZnO films and nanorods

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

Mezdrogina, M. M., E-mail: Margaret.M@mail.ioffe.ru; Eremenko, M. V.; Levitskii, V. S.

The effects of the parameters of ZnO-film deposition onto different substrates using the method of ac magnetron sputtering in a gas mixture of argon and oxygen hare studied. The phenomenon of self-organization is observed, which leads to invariability of the surface morphology of the ZnO films upon a variation in the substrate materials and deposition parameters. The parameters of the macro- and micro-photoluminescence spectra of the films differ insignificantly from the parameters of the photoluminescence spectra of bulk ZnO crystals obtained by the method of hydrothermal growth. The presence of intense emission with a narrow full-width at half-maximum (FWHM) inmore » different regions of the spectrum allows ZnO films obtained by magnetron sputtering doped with rare-earth metal impurities (REIs) to be considered as a promising material for the creation of optoelectronic devices working in a broad spectral range. The possibility of the implementation of magnetic ordering upon legierung with REIs significantly broadens the functional possibilities of ZnO films. The parameters of the photoluminescence spectra of ZnO nanorods are determined by their geometrical parameters and by the concentration and type of the impurities introduced.« less

Dissolved organic carbon and chromophoric dissolved organic matter properties of rivers in the USA

NASA Astrophysics Data System (ADS)

Spencer, Robert G. M.; Butler, Kenna D.; Aiken, George R.

2012-09-01

Dissolved organic carbon (DOC) concentration and chromophoric dissolved organic matter (CDOM) parameters were measured over a range of discharge in 30 U.S. rivers, covering a diverse assortment of fluvial ecosystems in terms of watershed size and landscape drained. Relationships between CDOM absorption at a range of wavelengths (a254, a350, a440) and DOC in the 30 watersheds were found to correlate strongly and positively for the majority of U.S. rivers. However, four rivers (Colorado, Colombia, Rio Grande and St. Lawrence) exhibited statistically weak relationships between CDOM absorption and DOC. These four rivers are atypical, as they either drain from the Great Lakes or experience significant impoundment of water within their watersheds, and they exhibited values for dissolved organic matter (DOM) parameters indicative of autochthonous or anthropogenic sources or photochemically degraded allochthonous DOM and thus a decoupling between CDOM and DOC. CDOM quality parameters in the 30 rivers were found to be strongly correlated to DOM compositional metrics derived via XAD fractionation, highlighting the potential for examining DOM biochemical quality from CDOM measurements. This study establishes the ability to derive DOC concentration from CDOM absorption for the majority of U.S. rivers, describes characteristics of riverine systems where such an approach is not valid, and emphasizes the possibility of examining DOM composition and thus biogeochemical function via CDOM parameters. Therefore, the usefulness of CDOM measurements, both laboratory-based analyses and in situ instrumentation, for improving spatial and temporal resolution of DOC fluxes and DOM dynamics in future studies is considerable in a range of biogeochemical studies.

Dissolved organic carbon and chromophoric dissolved organic matter properties of rivers in the USA

USGS Publications Warehouse

Spencer, Robert G.M.; Butler, Kenna D.; Aiken, George R.

2012-01-01

Dissolved organic carbon (DOC) concentration and chromophoric dissolved organic matter (CDOM) parameters were measured over a range of discharge in 30 U.S. rivers, covering a diverse assortment of fluvial ecosystems in terms of watershed size and landscape drained. Relationships between CDOM absorption at a range of wavelengths (a254, a350, a440) and DOC in the 30 watersheds were found to correlate strongly and positively for the majority of U.S. rivers. However, four rivers (Colorado, Colombia, Rio Grande and St. Lawrence) exhibited statistically weak relationships between CDOM absorption and DOC. These four rivers are atypical, as they either drain from the Great Lakes or experience significant impoundment of water within their watersheds, and they exhibited values for dissolved organic matter (DOM) parameters indicative of autochthonous or anthropogenic sources or photochemically degraded allochthonous DOM and thus a decoupling between CDOM and DOC. CDOM quality parameters in the 30 rivers were found to be strongly correlated to DOM compositional metrics derived via XAD fractionation, highlighting the potential for examining DOM biochemical quality from CDOM measurements. This study establishes the ability to derive DOC concentration from CDOM absorption for the majority of U.S. rivers, describes characteristics of riverine systems where such an approach is not valid, and emphasizes the possibility of examining DOM composition and thus biogeochemical function via CDOM parameters. Therefore, the usefulness of CDOM measurements, both laboratory-based analyses and in situ instrumentation, for improving spatial and temporal resolution of DOC fluxes and DOM dynamics in future studies is considerable in a range of biogeochemical studies.

Undersized description on motile gyrotactic micro-organisms individualities in MHD stratified water-based Newtonian nanofluid

NASA Astrophysics Data System (ADS)

Rehman, Khalil Ur; Malik, Aneeqa Ashfaq; Tahir, M.; Malik, M. Y.

2018-03-01

The current pagination summarized the influence of bio-convection Schmidt number, bio-convection Peclet number and micro-organisms concentration difference parameter on the density of motile gyrotactic micro-organisms when they have interaction with the thermally stratified magneto-nanofluid flow past a vertical stretching surface. It is observed that the density of motile microorganisms is the decreasing function of the bio-convection Schmidt and Peclet numbers. It is trusted that the outcomes of present analysis will serve as a helping source for the upcoming developments regarding individualities of motile gyrotactic micro-organisms subject to boundary layer flows induced by stretching surfaces.

The Effect of Surface Chemical Functionality Upon Ice Adhesion

NASA Technical Reports Server (NTRS)

Smith, Joseph G., Jr.; Wohl, Christopher J.; Doss, Jereme; Spence, Destiny; Kreeger, Richard E.; Palacios, Jose; Knuth, Taylor; Hadley, Kevin R.; McDougal, Nicholas D.

2015-01-01

In nature, anti-freeze proteins present in fish utilize specific organic functionalities to disrupt ice crystal formation and propagation. Based on these structures, surfaces with controlled chemical functionality and chain length were evaluated both experimentally and computationally to assess the effect of both parameters in mitigating ice formation. Linear aliphatic dimethylethoxysilanes terminated with methyl or hydroxyl groups were prepared, characterized, and used to coat aluminum. The effect upon icing using a microdroplet freezing apparatus and the Adverse Environment Rotor Test Stand found hydroxyl-terminated materials exhibited a greater propensity for ice formation and adhesion. Molecular dynamics simulations of a silica substrate bearing functionalized species of similar composition were brought into contact with a pre-equilibrated ice crystal. Several parameters including chain mobility were monitored to ascertain the size of a quasi-liquid layer. The studies suggested that chain mobility affected the interface between ice and the surface more than terminal group chemical composition.

Neural Network Classification of Receiver Functions as a Step Towards Automatic Crustal Parameter Determination

NASA Astrophysics Data System (ADS)

Jemberie, A.; Dugda, M. T.; Reusch, D.; Nyblade, A.

2006-12-01

Neural networks are decision making mathematical/engineering tools, which if trained properly, can do jobs automatically (and objectively) that normally require particular expertise and/or tedious repetition. Here we explore two techniques from the field of artificial neural networks (ANNs) that seek to reduce the time requirements and increase the objectivity of quality control (QC) and Event Identification (EI) on seismic datasets. We explore to apply the multiplayer Feed Forward (FF) Artificial Neural Networks (ANN) and Self- Organizing Maps (SOM) in combination with Hk stacking of receiver functions in an attempt to test the extent of the usefulness of automatic classification of receiver functions for crustal parameter determination. Feed- forward ANNs (FFNNs) are a supervised classification tool while self-organizing maps (SOMs) are able to provide unsupervised classification of large, complex geophysical data sets into a fixed number of distinct generalized patterns or modes. Hk stacking is a methodology that is used to stack receiver functions based on the relative arrival times of P-to-S converted phase and next two reverberations to determine crustal thickness H and Vp-to-Vs ratio (k). We use receiver functions from teleseismic events recorded by the 2000- 2002 Ethiopia Broadband Seismic Experiment. Preliminary results of applying FFNN neural network and Hk stacking of receiver functions for automatic receiver functions classification as a step towards an effort of automatic crustal parameter determination look encouraging. After training a FFNN neural network, the network could classify the best receiver functions from bad ones with a success rate of about 75 to 95%. Applying H? stacking on the receiver functions classified by this FFNN as the best receiver functions, we could obtain crustal thickness and Vp/Vs ratio of 31±4 km and 1.75±0.05, respectively, for the crust beneath station ARBA in the Main Ethiopian Rift. To make comparison, we applied Hk stacking on the receiver functions which we ourselves classified as the best set and found that the crustal thickness and Vp/Vs ratio are 31±2 km and 1.75±0.02, respectively.

Supramolecular Assembly of Tripodal Trisamides

NASA Astrophysics Data System (ADS)

Feng, Li

2010-03-01

A series of tripodal trisamide compounds have been synthesized from tris(2-aminoethyl)amine (TREN) by condensation with different acid chlorides. Gelation of organic solvents with these compounds was investigated as a function of concentration and solvent solubility parameter. Compounds made with linear acid chlorides were poor gelators. A gelator made with 2-ethylbutyryl chloride (TREN-EB) was an excellent gelator for many organic solvents. It was found that the minimum gelation concentration of TREN-EB increased with increasing solubility parameter of the solvent. Thin films samples were prepared by spin-coating mixtures of TREN-EB and a poly(acrylate). Scanning force microscopy measurements showed that TREN-EB formed nanofibrillar network structures. In addition a dependence of the network morphology on the casting solvent was found.

Solubility studies of inorganic-organic hybrid nanoparticle photoresists with different surface functional groups

NASA Astrophysics Data System (ADS)

Li, Li; Chakrabarty, Souvik; Jiang, Jing; Zhang, Ben; Ober, Christopher; Giannelis, Emmanuel P.

2016-01-01

The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07334k

Evaluation of cell viability and functionality in vessel-like bioprintable cell-laden tubular channels.

PubMed

Yu, Yin; Zhang, Yahui; Martin, James A; Ozbolat, Ibrahim T

2013-09-01

Organ printing is a novel concept recently introduced in developing artificial three-dimensional organs to bridge the gap between transplantation needs and organ shortage. One of the major challenges is inclusion of blood-vessellike channels between layers to support cell viability, postprinting functionality in terms of nutrient transport, and waste removal. In this research, we developed a novel and effective method to print tubular channels encapsulating cells in alginate to mimic the natural vascular system. An experimental investigation into the influence on cartilage progenitor cell (CPCs) survival, and the function of printing parameters during and after the printing process were presented. CPC functionality was evaluated by checking tissue-specific genetic marker expression and extracellular matrix production. Our results demonstrated the capability of direct fabrication of cell-laden tubular channels by our newly designed coaxial nozzle assembly and revealed that the bioprinting process could induce quantifiable cell death due to changes in dispensing pressure, coaxial nozzle geometry, and biomaterial concentration. Cells were able to recover during incubation, as well as to undergo differentiation with high-level cartilage-associated gene expression. These findings may not only help optimize our system but also can be applied to biomanufacturing of 3D functional cellular tissue engineering constructs for various organ systems.

Optimization of SDS exposure on preservation of ECM characteristics in whole organ decellularization of rat kidneys.

PubMed

He, M; Callanan, A; Lagaras, K; Steele, J A M; Stevens, M M

2017-08-01

Renal transplantation is well established as the optimal form of renal replacement therapy but is restricted by the limited pool of organs available for transplantation. The whole organ decellularisation approach is leading the way for a regenerative medicine solution towards bioengineered organ replacements. However, systematic preoptimization of both decellularization and recellularization parameters is essential prior to any potential clinical application and should be the next stage in the evolution of whole organ decellularization as a potential strategy for bioengineered organ replacements. Here we have systematically assessed two fundamental parameters (concentration and duration of perfusion) with regards to the effects of differing exposure to the most commonly used single decellularizing agent (sodium dodecyl sulphate/SDS) in the perfusion decellularization process for whole rat kidney ECM bioscaffolds, with findings showing improved preservation of both structural and functional components of the whole kidney ECM bioscaffold. Whole kidney bioscaffolds based on our enhanced protocol were successfully recellularized with rat primary renal cells and mesenchymal stromal cells. These findings should be widely applicable to decellularized whole organ bioscaffolds and their optimization in the development of regenerated organ replacements for transplantation. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1352-1360, 2017. © 2016 Wiley Periodicals, Inc.

Environmental limits to growth: physiological niche boundaries of corals along turbidity-light gradients.

PubMed

Anthony, Kenneth R N; Connolly, Sean R

2004-11-01

The physiological responses of organisms to resources and environmental conditions are important determinants of niche boundaries. In previous work, functional relationships between organism energetics and environment have been limited to energy intakes. However, energetic costs of maintenance may also depend on the supply of resources. In many mixotrophic organisms, two such resource types are light and particle concentration (turbidity). Using two coral species with contrasting abundances along light and turbidity gradients (Acropora valida and Turbinaria mesenterina), we incorporate the dual resource-stressor roles of these variables by calibrating functional responses of energy costs (respiration and loss of organic carbon) as well as energy intake (photosynthesis and particle feeding). This allows us to characterize physiological niche boundaries along light and turbidity gradients, identify species-specific differences in these boundaries, and assess the sensitivity of these differences to interspecific differences in particular functional response parameters. The turbidity-light niche of T. mesenterina was substantially larger than that of A. valida, consistent with its broader ecological distribution. As expected, the responses of photosynthesis, heterotrophic capacity, respiration, and organic carbon loss to light and turbidity varied between species. Niche boundaries were highly sensitive to the functional responses of energy costs to light and turbidity. Moreover, the study species' niche differences were almost entirely attributable to species-specific differences in one functional response: that of respiration to turbidity. These results demonstrate that functional responses of energy-loss processes are important determinants of species-specific physiological limits to growth, and thereby of niche differences in reef corals. Given that many resources can stress organisms when supply rates are high, we propose that the functional responses of energy losses will prove to be important determinants of niche differences in other systems as well.

13C Methacetin Breath Test for Assessment of Microsomal Liver Function: Methodology and Clinical Application.

PubMed

Gorowska-Kowolik, Katarzyna; Chobot, Agata; Kwiecien, Jaroslaw

2017-01-01

Assessment of the liver function, and the need of constant monitoring of the organ's capacity, concerns not only patients with primary liver diseases, but also those at risk of hepatopathies secondary to other chronic diseases. Most commonly, the diagnostics is based on measurements of static biochemical parameters, which allow us to draw conclusions only indirectly about the function and the degree of damage of the organ. On the other hand, liver biopsy is an invasive procedure and therefore it is associated with a considerable risk of complications. Dynamic tests enable us to assess quantitatively the organ's functional reserve by analyzing the kinetics of the metabolization of the substrate by the liver. In practice applied are breath tests using substances such as aminopyrine, caffeine, methacetin, erythromycin (for assessment of the microsomal function); phenylalanine, galactose (for assessment of the cytosolic function); methionine, octanoate, ketoisocaproic acid (for assessment of the mitochondrial function). The test with 13 C methacetin belongs to the best described and most widely applied methods in noninvasive liver function assessment. Due to the rising availability of this method, knowledge concerning its limitations and controversies regarding the methodology, as well as its usefulness in chosen groups of patients, seems to be vital.

A Dynamic Energy Budget (DEB) model to describe Laternula elliptica (King, 1832) seasonal feeding and metabolism

PubMed Central

Ahn, In-Young; Guillaumot, Charlène; Danis, Bruno

2017-01-01

Antarctic marine organisms are adapted to an extreme environment, characterized by a very low but stable temperature and a strong seasonality in food availability arousing from variations in day length. Ocean organisms are particularly vulnerable to global climate change with some regions being impacted by temperature increase and changes in primary production. Climate change also affects the biotic components of marine ecosystems and has an impact on the distribution and seasonal physiology of Antarctic marine organisms. Knowledge on the impact of climate change in key species is highly important because their performance affects ecosystem functioning. To predict the effects of climate change on marine ecosystems, a holistic understanding of the life history and physiology of Antarctic key species is urgently needed. DEB (Dynamic Energy Budget) theory captures the metabolic processes of an organism through its entire life cycle as a function of temperature and food availability. The DEB model is a tool that can be used to model lifetime feeding, growth, reproduction, and their responses to changes in biotic and abiotic conditions. In this study, we estimate the DEB model parameters for the bivalve Laternula elliptica using literature-extracted and field data. The DEB model we present here aims at better understanding the biology of L. elliptica and its levels of adaptation to its habitat with a special focus on food seasonality. The model parameters describe a metabolism specifically adapted to low temperatures, with a low maintenance cost and a high capacity to uptake and mobilise energy, providing this organism with a level of energetic performance matching that of related species from temperate regions. It was also found that L. elliptica has a large energy reserve that allows enduring long periods of starvation. Additionally, we applied DEB parameters to time-series data on biological traits (organism condition, gonad growth) to describe the effect of a varying environment in food and temperature on the organism condition and energy use. The DEB model developed here for L. elliptica allowed us to improve benchmark knowledge on the ecophysiology of this key species, providing new insights in the role of food availability and temperature on its life cycle and reproduction strategy. PMID:28850607

A Dynamic Energy Budget (DEB) model to describe Laternula elliptica (King, 1832) seasonal feeding and metabolism.

PubMed

Agüera, Antonio; Ahn, In-Young; Guillaumot, Charlène; Danis, Bruno

2017-01-01

Antarctic marine organisms are adapted to an extreme environment, characterized by a very low but stable temperature and a strong seasonality in food availability arousing from variations in day length. Ocean organisms are particularly vulnerable to global climate change with some regions being impacted by temperature increase and changes in primary production. Climate change also affects the biotic components of marine ecosystems and has an impact on the distribution and seasonal physiology of Antarctic marine organisms. Knowledge on the impact of climate change in key species is highly important because their performance affects ecosystem functioning. To predict the effects of climate change on marine ecosystems, a holistic understanding of the life history and physiology of Antarctic key species is urgently needed. DEB (Dynamic Energy Budget) theory captures the metabolic processes of an organism through its entire life cycle as a function of temperature and food availability. The DEB model is a tool that can be used to model lifetime feeding, growth, reproduction, and their responses to changes in biotic and abiotic conditions. In this study, we estimate the DEB model parameters for the bivalve Laternula elliptica using literature-extracted and field data. The DEB model we present here aims at better understanding the biology of L. elliptica and its levels of adaptation to its habitat with a special focus on food seasonality. The model parameters describe a metabolism specifically adapted to low temperatures, with a low maintenance cost and a high capacity to uptake and mobilise energy, providing this organism with a level of energetic performance matching that of related species from temperate regions. It was also found that L. elliptica has a large energy reserve that allows enduring long periods of starvation. Additionally, we applied DEB parameters to time-series data on biological traits (organism condition, gonad growth) to describe the effect of a varying environment in food and temperature on the organism condition and energy use. The DEB model developed here for L. elliptica allowed us to improve benchmark knowledge on the ecophysiology of this key species, providing new insights in the role of food availability and temperature on its life cycle and reproduction strategy.

Multisensor-integrated organs-on-chips platform for automated and continual in situ monitoring of organoid behaviors

PubMed Central

Zhang, Yu Shrike; Aleman, Julio; Shin, Su Ryon; Kim, Duckjin; Mousavi Shaegh, Seyed Ali; Massa, Solange; Riahi, Reza; Chae, Sukyoung; Hu, Ning; Avci, Huseyin; Zhang, Weijia; Silvestri, Antonia; Sanati Nezhad, Amir; Manbohi, Ahmad; De Ferrari, Fabio; Polini, Alessandro; Calzone, Giovanni; Shaikh, Noor; Alerasool, Parissa; Budina, Erica; Kang, Jian; Bhise, Nupura; Pourmand, Adel; Skardal, Aleksander; Shupe, Thomas; Bishop, Colin E.; Dokmeci, Mehmet Remzi; Atala, Anthony; Khademhosseini, Ali

2017-01-01

Organ-on-a-chip systems are miniaturized microfluidic 3D human tissue and organ models designed to recapitulate the important biological and physiological parameters of their in vivo counterparts. They have recently emerged as a viable platform for personalized medicine and drug screening. These in vitro models, featuring biomimetic compositions, architectures, and functions, are expected to replace the conventional planar, static cell cultures and bridge the gap between the currently used preclinical animal models and the human body. Multiple organoid models may be further connected together through the microfluidics in a similar manner in which they are arranged in vivo, providing the capability to analyze multiorgan interactions. Although a wide variety of human organ-on-a-chip models have been created, there are limited efforts on the integration of multisensor systems. However, in situ continual measuring is critical in precise assessment of the microenvironment parameters and the dynamic responses of the organs to pharmaceutical compounds over extended periods of time. In addition, automated and noninvasive capability is strongly desired for long-term monitoring. Here, we report a fully integrated modular physical, biochemical, and optical sensing platform through a fluidics-routing breadboard, which operates organ-on-a-chip units in a continual, dynamic, and automated manner. We believe that this platform technology has paved a potential avenue to promote the performance of current organ-on-a-chip models in drug screening by integrating a multitude of real-time sensors to achieve automated in situ monitoring of biophysical and biochemical parameters. PMID:28265064

Functional differentiation of human pluripotent stem cells on a chip.

PubMed

Giobbe, Giovanni G; Michielin, Federica; Luni, Camilla; Giulitti, Stefano; Martewicz, Sebastian; Dupont, Sirio; Floreani, Annarosa; Elvassore, Nicola

2015-07-01

Microengineering human "organs-on-chips" remains an open challenge. Here, we describe a robust microfluidics-based approach for the differentiation of human pluripotent stem cells directly on a chip. Extrinsic signal modulation, achieved through optimal frequency of medium delivery, can be used as a parameter for improved germ layer specification and cell differentiation. Human cardiomyocytes and hepatocytes derived on chips showed functional phenotypes and responses to temporally defined drug treatments.

Prediction of peak shape in hydro-organic and micellar-organic liquid chromatography as a function of mobile phase composition.

PubMed

Baeza-Baeza, J J; Ruiz-Angel, M J; García-Alvarez-Coque, M C

2007-09-07

A simple model is proposed that relates the parameters describing the peak width with the retention time, which can be easily predicted as a function of mobile phase composition. This allows the further prediction of peak shape with global errors below 5%, using a modified Gaussian model with a parabolic variance. The model is useful in the optimisation of chromatographic resolution to assess an eventual overlapping of close peaks. The dependence of peak shape with mobile phase composition was studied for mobile phases containing acetonitrile in the presence and absence of micellised surfactant (micellar-organic and hydro-organic reversed-phase liquid chromatography, RPLC). In micellar RPLC, both modifiers (surfactant and acetonitrile) were observed to decrease or improve the efficiencies in the same percentage, at least in the studied concentration ranges. The study also revealed that the problem of achieving smaller efficiencies in this chromatographic mode, compared to hydro-organic RPLC, is not only related to the presence of surfactant covering the stationary phase, but also to the smaller concentration of organic solvent in the mobile phase.

High throughput screening: an in silico solubility parameter approach for lipids and solvents in SLN preparations.

PubMed

Shah, Malay; Agrawal, Yadvendra

2013-01-01

The present paper describes an in silico solubility behavior of drug and lipids, an essential screening study in preparation of solid lipid nanoparticles (SLN). Ciprofloxacin HCl was selected as a model drug along with 11 lipids and 5 organic solvents. In silico miscibility study of drug/lipid/solvent was performed using Hansen solubility parameter approach calculated by group contribution method of Van Krevelen and Hoftyzer. Predicted solubility was validated by determining solubility of lipids in various solvent at different temperature range, while miscibility of drug in lipids was determined by apparent solubility study and partition experiment. The presence of oxygen and OH functionality increases the polarity and hydrogen bonding possibilities of the compound which has reflected the highest solubility parameter values for Geleol and Capmul MCM C8. Ethyl acetate, Geleol and Capmul MCM C8 was identified as suitable organic solvent, solid lipid and liquid lipid respectively based on a solubility parameter approach which was in agreement with the result of an apparent solubility study and partition coefficient. These works demonstrate the validity of solubility parameter approach and provide a feasible predictor to the rational selection of excipients in designing SLN formulation.

Quantifying the degradation of organic matter in marine sediments: A review and synthesis

NASA Astrophysics Data System (ADS)

Arndt, Sandra; Jørgensen, B. B.; LaRowe, D. E.; Middelburg, J. J.; Pancost, R. D.; Regnier, P.

2013-08-01

Quantifying the rates of biogeochemical processes in marine sediments is essential for understanding global element cycles and climate change. Because organic matter degradation is the engine behind benthic dynamics, deciphering the impact that various forces have on this process is central to determining the evolution of the Earth system. Therefore, recent developments in the quantitative modeling of organic matter degradation in marine sediments are critically reviewed. The first part of the review synthesizes the main chemical, biological and physical factors that control organic matter degradation in sediments while the second part provides a general review of the mathematical formulations used to model these processes and the third part evaluates their application over different spatial and temporal scales. Key transport mechanisms in sedimentary environments are summarized and the mathematical formulation of the organic matter degradation rate law is described in detail. The roles of enzyme kinetics, bioenergetics, temperature and biomass growth in particular are highlighted. Alternative model approaches that quantify the degradation rate constant are also critically compared. In the third part of the review, the capability of different model approaches to extrapolate organic matter degradation rates over a broad range of temporal and spatial scales is assessed. In addition, the structure, functions and parameterization of more than 250 published models of organic matter degradation in marine sediments are analyzed. The large range of published model parameters illustrates the complex nature of organic matter dynamics, and, thus, the limited transferability of these parameters from one site to another. Compiled model parameters do not reveal a statistically significant correlation with single environmental characteristics such as water depth, deposition rate or organic matter flux. The lack of a generic framework that allows for model parameters to be constrained in data-poor areas seriously limits the quantification of organic matter degradation on a global scale. Therefore, we explore regional patterns that emerge from the compiled more than 250 organic matter rate constants and critically discuss them in their environmental context. This review provides an interdisciplinary view on organic matter degradation in marine sediments. It contributes to an improved understanding of global patterns in benthic organic matter degradation, and helps identify outstanding questions and future directions in the modeling of organic matter degradation in marine sediments.

Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor

PubMed Central

2017-01-01

Constructing functional forms and their corresponding force field parameters for the metal–linker interface of metal–organic frameworks is challenging. We propose fitting these parameters on the elastic tensor, computed from ab initio density functional theory calculations. The advantage of this top-down approach is that it becomes evident if functional forms are missing when components of the elastic tensor are off. As a proof-of-concept, a new flexible force field for MIL-47(V) is derived. Negative thermal expansion is observed and framework flexibility has a negligible effect on adsorption and transport properties for small guest molecules. We believe that this force field parametrization approach can serve as a useful tool for developing accurate flexible force field models that capture the correct mechanical behavior of the full periodic structure. PMID:28661672

Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties

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

Pazos, Elena; Sleep, Eduard; Rubert Perez, Charles M.

Here, silver nanoparticles have been of great interest as plasmonic substrates for sensing and imaging, catalysts, or antimicrobial systems. Their physical properties are strongly dependent on parameters that remain challenging to control such as size, chemical composition, and spatial distribution. We report here on supramolecular assemblies of a novel peptide amphiphile containing aldehyde functionality in order to reduce silver ions and subsequently nucleate silver metal nanoparticles in water. This system spontaneously generates monodisperse silver particles at fairly regular distances along the length of the filamentous organic assemblies. The metal–organic hybrid structures exhibited antimicrobial activity and significantly less toxicity toward eukaryoticmore » cells. Metallized organic nanofibers of the type described here offer the possibility to create hydrogels, which integrate the useful functions of silver nanoparticles with controllable metallic content.« less

Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties

DOE PAGES

Pazos, Elena; Sleep, Eduard; Rubert Perez, Charles M.; ...

2016-04-22

Here, silver nanoparticles have been of great interest as plasmonic substrates for sensing and imaging, catalysts, or antimicrobial systems. Their physical properties are strongly dependent on parameters that remain challenging to control such as size, chemical composition, and spatial distribution. We report here on supramolecular assemblies of a novel peptide amphiphile containing aldehyde functionality in order to reduce silver ions and subsequently nucleate silver metal nanoparticles in water. This system spontaneously generates monodisperse silver particles at fairly regular distances along the length of the filamentous organic assemblies. The metal–organic hybrid structures exhibited antimicrobial activity and significantly less toxicity toward eukaryoticmore » cells. Metallized organic nanofibers of the type described here offer the possibility to create hydrogels, which integrate the useful functions of silver nanoparticles with controllable metallic content.« less

Nucleation and Growth of Ordered Arrays of Silver Nanoparticles on Peptide Nanofibers: Hybrid Nanostructures with Antimicrobial Properties.

PubMed

Pazos, Elena; Sleep, Eduard; Rubert Pérez, Charles M; Lee, Sungsoo S; Tantakitti, Faifan; Stupp, Samuel I

2016-05-04

Silver nanoparticles have been of great interest as plasmonic substrates for sensing and imaging, catalysts, or antimicrobial systems. Their physical properties are strongly dependent on parameters that remain challenging to control such as size, chemical composition, and spatial distribution. We report here on supramolecular assemblies of a novel peptide amphiphile containing aldehyde functionality in order to reduce silver ions and subsequently nucleate silver metal nanoparticles in water. This system spontaneously generates monodisperse silver particles at fairly regular distances along the length of the filamentous organic assemblies. The metal-organic hybrid structures exhibited antimicrobial activity and significantly less toxicity toward eukaryotic cells. Metallized organic nanofibers of the type described here offer the possibility to create hydrogels, which integrate the useful functions of silver nanoparticles with controllable metallic content.

Vertically grown nanowire crystals of dibenzotetrathienocoronene (DBTTC) on large-area graphene

DOE PAGES

Kim, B.; Chiu, C. -Y.; Kang, S. J.; ...

2016-06-01

Here we demonstrate controlled growth of vertical organic crystal nanowires on single layer graphene. Using Scanning Electron Microscopy (SEM), high-resolution transition electron microscopy (TEM), and Grazing Incidence X-ray Diffraction (GIXD), we probe the microstructure and morphology of dibenzotetrathienocoronene (DBTTC) nanowires epitaxially grown on graphene. The investigation is performed at both the ensemble and single nanowire level, and as function of growth parameters, providing insight of and control over the formation mechanism. Finally, the size, density and height of the nanowires can be tuned via growth conditions, opening new avenues for tailoring three-dimensional (3-D) nanostructured architectures for organic electronics with improvedmore » functional performance.« less

Combining Multiobjective Optimization and Cluster Analysis to Study Vocal Fold Functional Morphology

PubMed Central

Palaparthi, Anil; Riede, Tobias

2017-01-01

Morphological design and the relationship between form and function have great influence on the functionality of a biological organ. However, the simultaneous investigation of morphological diversity and function is difficult in complex natural systems. We have developed a multiobjective optimization (MOO) approach in association with cluster analysis to study the form-function relation in vocal folds. An evolutionary algorithm (NSGA-II) was used to integrate MOO with an existing finite element model of the laryngeal sound source. Vocal fold morphology parameters served as decision variables and acoustic requirements (fundamental frequency, sound pressure level) as objective functions. A two-layer and a three-layer vocal fold configuration were explored to produce the targeted acoustic requirements. The mutation and crossover parameters of the NSGA-II algorithm were chosen to maximize a hypervolume indicator. The results were expressed using cluster analysis and were validated against a brute force method. Results from the MOO and the brute force approaches were comparable. The MOO approach demonstrated greater resolution in the exploration of the morphological space. In association with cluster analysis, MOO can efficiently explore vocal fold functional morphology. PMID:24771563

Human beings' adaptability to extreme environmental changes from medical and physical points of view

NASA Astrophysics Data System (ADS)

Khabarova, Olga; Ragulskaya, Maria; Dimitrova, Svetla; Safaraly-Oghlu Babayev, Elchin; Samsonov, Sergey; Med. Dimitry Markov, Of; Nazarova, Of Med. Olga N.; Rudenchik, Evgeny

The question about features of human reaction on the sharp environmental physical activity (EPA) changes is considered by international group of physicists and physicians on the base of results of monitoring of human health state in different cities spread on latitude and longitude. The typical reaction of human body on the influences, exceeding the organisms' ability to adaptation, is of stress-reaction character. From medical point of view there is no significant difference for human body -what external (EPA) agent shocked an organism (emotional or some physical threats). First attempt of the organism to restore its homeostasis is stress-reaction, being universal for many stress-factors. Its main stages (such as alarm, resistance, and exhaustion) are detectable by different medical equipments, but we tried to find universal, non-traumatic method of daily measurements, enough sensitive and appropriate for observation of people reaction both on weather and space weather (geomagnetic activity) changes. The experiment was based on a method of electrical conductivity measurements of biologically active (acupunctural) points of human skin. The used method (electroacupunctural method by Dr. R.Voll) is very sensitive to current state of an organism and characterize the functional condition of different organs and systems of human body and allows to express so-called "group's health status" in the units, suitable for comparison with meteorological and heliogeophysical parameters. We conduct the parallel investigations as a part of collaborative study in different geographic latitudes-longitudes (Baku:40° 23'43"N -49° 52'56"E, Troitsk (Moscow region): 55° 28'40"N -37° 18'42"E, Yakutsk: 62° 02'00"N -129° 44'00"E). Measurements were carried out on daily basis with permanent group of functionally healthy persons (Moscow -19, Yakutsk -22, CityBaku -12 volunteers). Daily monitoring of nervous, endocrinological, lymphatic systems, blood, lungs, thick and thin intestine, heart and parenhimatic organs, allergy and hypophisis was conducted simultaneously with analyses of space weather (parameters of solar and geomagnetic activities) as well as local meteorological parameters (temperature, atmospheric pressure, humidity, wind speed, etc.). It was proved that it is possible to consider not only weather changes but also geomagnetic field variations as a stressor. It is concluded that : 1. human reaction on the sharp changes of selected external (environmental) physical activity parameters goes like typical stress-reaction; 2. features of stress-reaction depend on history of previous failures of an organism and on state of external background (frequent stresses deplete human organism possibility to adaptation); 3. features of stress-reaction depend on the geographic location (latitude). Possible physi-cal explanation of human organism stress-reaction on changes of geomagnetic oscillatory regime and atmospheric thermobaric variations is discussed.

Coordination of Cell Polarity, Mechanics and Fate in Tissue Self-organization.

PubMed

Kim, Esther Jeong Yoon; Korotkevich, Ekaterina; Hiiragi, Takashi

2018-07-01

Self-organization guides robust, spatiotemporally ordered formation of complex tissues and ultimately whole organisms. While products of gene expression serve as building blocks of living matter, how these interact to give rise to tissues of distinct patterns and function remains a central question in biology. Tissue self-organization relies on dynamic interactions between constituents spanning a range of spatiotemporal scales with tuneable chemical and mechanical parameters. This review highlights recent studies dissecting mechanisms of these interactions. We propose that feedback interactions between cell polarity, mechanics, and fate are a key principle underlying tissue self-organization. We also provide a glimpse into how such processes can be studied in future endeavors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

NASA Astrophysics Data System (ADS)

Wang, Chen; Yuan, Tiange; Wood, Stephen A.; Goss, Kai-Uwe; Li, Jingyi; Ying, Qi; Wania, Frank

2017-06-01

Gas-particle partitioning governs the distribution, removal, and transport of organic compounds in the atmosphere and the formation of secondary organic aerosol (SOA). The large variety of atmospheric species and their wide range of properties make predicting this partitioning equilibrium challenging. Here we expand on earlier work and predict gas-organic and gas-aqueous phase partitioning coefficients for 3414 atmospherically relevant molecules using COSMOtherm, SPARC Performs Automated Reasoning in Chemistry (SPARC), and poly-parameter linear free-energy relationships. The Master Chemical Mechanism generated the structures by oxidizing primary emitted volatile organic compounds. Predictions for gas-organic phase partitioning coefficients (KWIOM/G) by different methods are on average within 1 order of magnitude of each other, irrespective of the numbers of functional groups, except for predictions by COSMOtherm and SPARC for compounds with more than three functional groups, which have a slightly higher discrepancy. Discrepancies between predictions of gas-aqueous partitioning (KW/G) are much larger and increase with the number of functional groups in the molecule. In particular, COSMOtherm often predicts much lower KW/G for highly functionalized compounds than the other methods. While the quantum-chemistry-based COSMOtherm accounts for the influence of intra-molecular interactions on conformation, highly functionalized molecules likely fall outside of the applicability domain of the other techniques, which at least in part rely on empirical data for calibration. Further analysis suggests that atmospheric phase distribution calculations are sensitive to the partitioning coefficient estimation method, in particular to the estimated value of KW/G. The large uncertainty in KW/G predictions for highly functionalized organic compounds needs to be resolved to improve the quantitative treatment of SOA formation.

[Functional state of various physiological systems of the human body during respiration of neon-oxygen mixture at depth up to 400 meters].

PubMed

Poleshuk, I P; Genin, A M; Unku, R D; Mikhnenko, A E; Sementsov, V N; Suvorov, A V

1991-01-01

Hyperbaric neon-oxygen mixture has been studied for the effect of its high density under pressure of 41 ata on basic physiological functions of human organism. Typical changes of the cardiorespiratory system and tissue respiration parameters are revealed. Changes in physical working capacity are shown. Exposure to gaseous medium of high pressure and density is accompanied by the development of some compensatory-adaptive reactions. The possibility to perform mid-hard physical work is attained with overstrain of respiration and circulation function.

Water analysis in a lab-on-a-chip system

NASA Astrophysics Data System (ADS)

Freimuth, Herbert; von Germar, Frithjof; Frese, Ines; Nahrstedt, Elzbieta; Küpper, Michael; Schenk, Rainer; Baser, Björn; Ott, Johannes; Drese, Klaus; Detemple, Peter; Doll, Theodor

2006-01-01

The development of a lab-on-chip system which allows the parallel detection of a variety of different parameters of a water sample is presented. Water analysis typically comprises the determination of around 30 physical and chemical parameters. An even larger number can arise when special contaminations of organic molecules are of interest. A demonstration system has been realised to show the feasibility and performance of an integrated device for the determination of physical quantities like electrical conductivity, light absorption and turbidity. Additionally, chemical quantities like the pH-value and the content of inorganic and organic contaminations are also determined. Two chips of credit card size contain the analytical functions and will be fabricated by injection moulding. First prototypes have been manufactured by milling or precision milling for the optical components.

A new biomedical device for in vivo multiparametric evaluation of tissue vitality in critical care medicine

NASA Astrophysics Data System (ADS)

Mayevsky, Avraham; Deutsch, Assaf; Dekel, Nava; Pevzner, Eliyahu; Jaronkin, Alex

2005-04-01

Real time Monitoring of mitochondrial function in vivo is a significant factor in the understanding of tissue vitality. Nevertheless a single parameter monitoring device is not appropriate and effective in clinical diagnosis of tissue vitality. Therefore we have developed a multi-parametric monitoring system that monitors, in addition to mitochondrial NADH redox state, tissue microcirculatory blood flow, tissue total back-scattered light as an indication of blood volume and blood oxygenation (Hb02). In the present communication a new device named "CritiView" is described. This device was developed in order to enable real time monitoring of the four parameters from various organs in the body. The main medical application of the CritiView is in critical care medicine of patients hospitalized in the Intensive Care Units (ICUs) and intraoperatively in operating rooms. The physiological basis for our clinical monitoring approach is based on the well known response to the development of body emergency situation, such as shock or trauma. Under such conditions a process of blood flow redistribution will give preference to vital organs (Brain, Heart) neglecting less vital organs (Skin, G-I tract or the urinary system). Under such condition the brain will by hyperperfused and O2 supply will increase to provide the need of the activated mitochondria. The non-vital organs will be hypoperfused and mitochondial function will be inhibited leading to energy failure. This differentiation between the two types of organs could be used for the early detection of body deterioration by monitoring of the non-vital organ vitality. A fiber optic sensor was embedded in a Foley catheter, enabling the monitoring of Urethral wall vitality, to serve as an early warning signal of body deterioration.

Assessment of organ culture for the conservation of human skin allografts.

PubMed

Hautier, A; Sabatier, F; Stellmann, P; Andrac, L; Nouaille De Gorce, Y; Dignat-George, F; Magalon, G

2008-03-01

Human skin allografts are used in the treatment of severe burns and their preservation is therefore critical for optimal clinical benefit. Current preservation methods, such as 4 degrees C storage or cryopreservation, cannot prevent the decrease of tissue viability. The aim of this study was to assess viability and function of skin allografts in a new skin organ culture model, allowing conservation parameters as close as possible to physiological conditions: 32 degrees C, air-liquid interface and physiological skin tension. Twelve skin samples, harvested from 6 living surgical donors, were conserved 35 days in two conditions: conservation at 4 degrees C and organ culture. Viability and function of skin samples were investigated at Day 0, 7, 14, 21, 28 and 35 using cell culture methods (trypan blue exclusion, Colony Forming Efficiency and Growth Rate), histopathological and histoenzymological studies (Ki67 immunostaining). In the two conditions, fibroblast and keratinocyte viability was progressively affected by storage, with a significant decrease observed after 35 days. No statistical difference could be observed between the two conditions. The two methods were also comparable regarding alterations of fibroblast and keratinocyte culture parameters, which were respectively significantly reduced at Day 7 and 21, compared to fresh skin. By contrast, histopathological and histoenzymological studies revealed a better preservation of skin architecture and proliferative potential at 4 degrees C, as compared to organ culture. These results indicate that skin organ culture does not provide significant advantages for skin allograft preservation. However, its potential use as an experimental model to study skin physiology and wound healing should be further evaluated.

Multi-scale Functional and Molecular Photoacoustic Tomography

PubMed Central

Yao, Junjie; Xia, Jun; Wang, Lihong V.

2015-01-01

Photoacoustic tomography (PAT) combines rich optical absorption contrast with the high spatial resolution of ultrasound at depths in tissue. The high scalability of PAT has enabled anatomical imaging of biological structures ranging from organelles to organs. The inherent functional and molecular imaging capabilities of PAT have further allowed it to measure important physiological parameters and track critical cellular activities. Integration of PAT with other imaging technologies provides complementary capabilities and can potentially accelerate the clinical translation of PAT. PMID:25933617

Measuring the reduced scattering coefficient and γ with SFR spectroscopy: studying the phase function dependence (Conference Presentation)

NASA Astrophysics Data System (ADS)

Post, Anouk L.; Zhang, Xu; Bosschaart, Nienke; Van Leeuwen, Ton G.; Sterenborg, Henricus J. C. M.; Faber, Dirk J.

2016-03-01

Both Optical Coherence Tomography (OCT) and Single Fiber Reflectance Spectroscopy (SFR) are used to determine various optical properties of tissue. We developed a method combining these two techniques to measure the scattering anisotropy (g1) and γ (=1-g2/1-g1), related to the 1st and 2nd order moments of the phase function. The phase function is intimately associated with the cellular organization and ultrastructure of tissue, physical parameters that may change during disease onset and progression. Quantification of these parameters may therefore allow for improved non-invasive, in vivo discrimination between healthy and diseased tissue. With SFR the reduced scattering coefficient and γ can be extracted from the reflectance spectrum (Kanick et al., Biomedical Optics Express 2(6), 2011). With OCT the scattering coefficient can be extracted from the signal as a function of depth (Faber et al., Optics Express 12(19), 2004). Consequently, by combining SFR and OCT measurements at the same wavelengths, the scattering anisotropy (g) can be resolved using µs'= µs*(1-g). We performed measurements on a suspension of silica spheres as a proof of principle. The SFR model for the reflectance as a function of the reduced scattering coefficient and γ is based on semi-empirical modelling. These models feature Monte-Carlo (MC) based model constants. The validity of these constants - and thus the accuracy of the estimated parameters - depends on the phase function employed in the MC simulations. Since the phase function is not known when measuring in tissue, we will investigate the influence of assuming an incorrect phase function on the accuracy of the derived parameters.

Cell-accurate optical mapping across the entire developing heart.

PubMed

Weber, Michael; Scherf, Nico; Meyer, Alexander M; Panáková, Daniela; Kohl, Peter; Huisken, Jan

2017-12-29

Organogenesis depends on orchestrated interactions between individual cells and morphogenetically relevant cues at the tissue level. This is true for the heart, whose function critically relies on well-ordered communication between neighboring cells, which is established and fine-tuned during embryonic development. For an integrated understanding of the development of structure and function, we need to move from isolated snap-shot observations of either microscopic or macroscopic parameters to simultaneous and, ideally continuous, cell-to-organ scale imaging. We introduce cell-accurate three-dimensional Ca 2+ -mapping of all cells in the entire electro-mechanically uncoupled heart during the looping stage of live embryonic zebrafish, using high-speed light sheet microscopy and tailored image processing and analysis. We show how myocardial region-specific heterogeneity in cell function emerges during early development and how structural patterning goes hand-in-hand with functional maturation of the entire heart. Our method opens the way to systematic, scale-bridging, in vivo studies of vertebrate organogenesis by cell-accurate structure-function mapping across entire organs.

Cell-accurate optical mapping across the entire developing heart

PubMed Central

Meyer, Alexander M; Panáková, Daniela; Kohl, Peter

2017-01-01

Organogenesis depends on orchestrated interactions between individual cells and morphogenetically relevant cues at the tissue level. This is true for the heart, whose function critically relies on well-ordered communication between neighboring cells, which is established and fine-tuned during embryonic development. For an integrated understanding of the development of structure and function, we need to move from isolated snap-shot observations of either microscopic or macroscopic parameters to simultaneous and, ideally continuous, cell-to-organ scale imaging. We introduce cell-accurate three-dimensional Ca2+-mapping of all cells in the entire electro-mechanically uncoupled heart during the looping stage of live embryonic zebrafish, using high-speed light sheet microscopy and tailored image processing and analysis. We show how myocardial region-specific heterogeneity in cell function emerges during early development and how structural patterning goes hand-in-hand with functional maturation of the entire heart. Our method opens the way to systematic, scale-bridging, in vivo studies of vertebrate organogenesis by cell-accurate structure-function mapping across entire organs. PMID:29286002

Can we use the equivalent sphere model to approximate organ doses in space radiation environments?

NASA Astrophysics Data System (ADS)

Lin, Zi-Wei

For space radiation protection one often calculates the dose or dose equivalent in blood forming organs (BFO). It has been customary to use a 5cm equivalent sphere to approximate the BFO dose. However, previous studies have concluded that a 5cm sphere gives a very different dose from the exact BFO dose. One study concludes that a 9cm sphere is a reasonable approximation for the BFO dose in solar particle event (SPE) environments. In this study we investigate the reason behind these observations and extend earlier studies by studying whether BFO, eyes or the skin can be approximated by the equivalent sphere model in different space radiation environments such as solar particle events and galactic cosmic ray (GCR) environments. We take the thickness distribution functions of the organs from the CAM (Computerized Anatomical Man) model, then use a deterministic radiation transport to calculate organ doses in different space radiation environments. The organ doses have been evaluated with a water or aluminum shielding from 0 to 20 g/cm2. We then compare these exact doses with results from the equivalent sphere model and determine in which cases and at what radius parameters the equivalent sphere model is a reasonable approximation. Furthermore, we propose to use a modified equivalent sphere model with two radius parameters to represent the skin or eyes. For solar particle events, we find that the radius parameters for the organ dose equivalent increase significantly with the shielding thickness, and the model works marginally for BFO but is unacceptable for eyes or the skin. For galactic cosmic rays environments, the equivalent sphere model with one organ-specific radius parameter works well for the BFO dose equivalent, marginally well for the BFO dose and the dose equivalent of eyes or the skin, but is unacceptable for the dose of eyes or the skin. The BFO radius parameters are found to be significantly larger than 5 cm in all cases, consistent with the conclusion of an earlier study. The radius parameters for the dose equivalent in GCR environments are approximately between 10 and 11 cm for the BFO, 3.7 to 4.8 cm for eyes, and 3.5 to 5.6 cm for the skin; while the radius parameters are between 10 and 13 cm for the BFO dose. In the proposed modified equivalent sphere model, the range of each of the two radius parameters for the skin (or eyes) is much tighter than that in the equivalent sphere model with one radius parameter. Our results thus show that the equivalent sphere model works better in galactic cosmic rays environments than in solar particle events. The model works well or marginally well for BFO but usually does not work for eyes or the skin. A modified model with two radius parameters works much better in approximating the dose and dose equivalent in eyes or the skin.

Toxicological assessment of Diplazium esculentum on the reproductive functions of male Swiss albino mouse.

PubMed

Roy, Subhrajyoti; Chaudhuri, Tapas Kumar

2017-04-01

Diplazium esculentum, a commonly consumed seasonal vegetable, has been reported to have some pathological effects in some animals. But, its effect on the male reproductive function has not yet been studied. To investigate the effects of boiled D. esculentum (BDE), the form which human consumes, on male reproductive functions of Swiss albino mice. Male (120 in no.) and female (80 in no.) Swiss albino mice (6-8 weeks of age) were fed orally with 80, 160 and 320 mg/kg bw of BDE within a span of 180 d. After the treatment, body weight, absolute- and relative-testis weight, relative-weight of other organs, their biochemical parameters, hypo-osmotic swelling test (HOST) of spermatozoa, testis histology and fertility and fecundity tests were performed to justify the toxic effects of D. esculentum on male reproductive functions. Significant dose- and time-dependent decreases were observed in body weight, absolute- and relative-testis weight, relative-weights of other organs and their biochemical parameters, percentage of live spermatozoa and percentage of fertility and fecundity in BDE fed mice. Significant decreases were observed in diameter, perimeter and area of the seminiferous tubules of mice treated for 180 d. The percentage of empty seminiferous tubules was increased significantly in BDE treated mice when compared to the controls. These results suggest that the intake of D. esculentum, even after cooking, may induce infertility by altering the male reproductive function, and therefore, should be evaluated further as a potential antifertility agent.

77 FR 4070 - Self-Regulatory Organizations; C2 Options Exchange, Incorporated; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-26

... all the option series have the same expiration.\\7\\ The functionality is designed to detect scenarios... designed to prevent incoming orders from automatically executing at potentially erroneous prices. These price check parameter features are designed to help maintain a fair and orderly market. The Exchange is...

Electronic contributions to the sigma(p) parameter of the Hammett equation.

PubMed

Domingo, Luis R; Pérez, Patricia; Contreras, Renato

2003-07-25

A statistical procedure to obtain the intrinsic electronic contributions to the Hammett substituent constant sigma(p) is reported. The method is based on the comparison between the experimental sigma(p) values and the electronic electrophilicity index omega evaluated for a series of 42 functional groups commonly present in organic compounds.

78 FR 66653 - Patient Protection and Affordable Care Act; HHS Notice of Benefit and Payment Parameters for 2014...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-06

... procedure, Adverse selection, Health care, Health insurance, Health records, Organization and functions... practice and procedure, Claims, Health care, Health insurance, Health plans, penalties, Reporting and... DEPARTMENT OF HEALTH AND HUMAN SERVICES 45 CFR Parts 153, 155, 156, 157, and 158 [CMS-9964-F3] RIN...

Computational screening of organic materials towards improved photovoltaic properties

NASA Astrophysics Data System (ADS)

Dai, Shuo; Olivares-Amaya, Roberto; Amador-Bedolla, Carlos; Aspuru-Guzik, Alan; Borunda, Mario

2015-03-01

The world today faces an energy crisis that is an obstruction to the development of the human civilization. One of the most promising solutions is solar energy harvested by economical solar cells. Being the third generation of solar cell materials, organic photovoltaic (OPV) materials is now under active development from both theoretical and experimental points of view. In this study, we constructed a parameter to select the desired molecules based on their optical spectra performance. We applied it to investigate a large collection of potential OPV materials, which were from the CEPDB database set up by the Harvard Clean Energy Project. Time dependent density functional theory (TD-DFT) modeling was used to calculate the absorption spectra of the molecules. Then based on the parameter, we screened out the top performing molecules for their potential OPV usage and suggested experimental efforts toward their synthesis. In addition, from those molecules, we summarized the functional groups that provided molecules certain spectrum capability. It is hoped that useful information could be mined out to provide hints to molecular design of OPV materials.

Multi-enzyme complexes on DNA scaffolds capable of substrate channelling with an artificial swinging arm

NASA Astrophysics Data System (ADS)

Fu, Jinglin; Yang, Yuhe Renee; Johnson-Buck, Alexander; Liu, Minghui; Liu, Yan; Walter, Nils G.; Woodbury, Neal W.; Yan, Hao

2014-07-01

Swinging arms are a key functional component of multistep catalytic transformations in many naturally occurring multi-enzyme complexes. This arm is typically a prosthetic chemical group that is covalently attached to the enzyme complex via a flexible linker, allowing the direct transfer of substrate molecules between multiple active sites within the complex. Mimicking this method of substrate channelling outside the cellular environment requires precise control over the spatial parameters of the individual components within the assembled complex. DNA nanostructures can be used to organize functional molecules with nanoscale precision and can also provide nanomechanical control. Until now, protein-DNA assemblies have been used to organize cascades of enzymatic reactions by controlling the relative distance and orientation of enzymatic components or by facilitating the interface between enzymes/cofactors and electrode surfaces. Here, we show that a DNA nanostructure can be used to create a multi-enzyme complex in which an artificial swinging arm facilitates hydride transfer between two coupled dehydrogenases. By exploiting the programmability of DNA nanostructures, key parameters including position, stoichiometry and inter-enzyme distance can be manipulated for optimal activity.

Multi-enzyme complexes on DNA scaffolds capable of substrate channelling with an artificial swinging arm.

PubMed

Fu, Jinglin; Yang, Yuhe Renee; Johnson-Buck, Alexander; Liu, Minghui; Liu, Yan; Walter, Nils G; Woodbury, Neal W; Yan, Hao

2014-07-01

Swinging arms are a key functional component of multistep catalytic transformations in many naturally occurring multi-enzyme complexes. This arm is typically a prosthetic chemical group that is covalently attached to the enzyme complex via a flexible linker, allowing the direct transfer of substrate molecules between multiple active sites within the complex. Mimicking this method of substrate channelling outside the cellular environment requires precise control over the spatial parameters of the individual components within the assembled complex. DNA nanostructures can be used to organize functional molecules with nanoscale precision and can also provide nanomechanical control. Until now, protein-DNA assemblies have been used to organize cascades of enzymatic reactions by controlling the relative distance and orientation of enzymatic components or by facilitating the interface between enzymes/cofactors and electrode surfaces. Here, we show that a DNA nanostructure can be used to create a multi-enzyme complex in which an artificial swinging arm facilitates hydride transfer between two coupled dehydrogenases. By exploiting the programmability of DNA nanostructures, key parameters including position, stoichiometry and inter-enzyme distance can be manipulated for optimal activity.

Model of the Dynamic Construction Process of Texts and Scaling Laws of Words Organization in Language Systems

PubMed Central

Li, Shan; Lin, Ruokuang; Bian, Chunhua; Ma, Qianli D. Y.

2016-01-01

Scaling laws characterize diverse complex systems in a broad range of fields, including physics, biology, finance, and social science. The human language is another example of a complex system of words organization. Studies on written texts have shown that scaling laws characterize the occurrence frequency of words, words rank, and the growth of distinct words with increasing text length. However, these studies have mainly concentrated on the western linguistic systems, and the laws that govern the lexical organization, structure and dynamics of the Chinese language remain not well understood. Here we study a database of Chinese and English language books. We report that three distinct scaling laws characterize words organization in the Chinese language. We find that these scaling laws have different exponents and crossover behaviors compared to English texts, indicating different words organization and dynamics of words in the process of text growth. We propose a stochastic feedback model of words organization and text growth, which successfully accounts for the empirically observed scaling laws with their corresponding scaling exponents and characteristic crossover regimes. Further, by varying key model parameters, we reproduce differences in the organization and scaling laws of words between the Chinese and English language. We also identify functional relationships between model parameters and the empirically observed scaling exponents, thus providing new insights into the words organization and growth dynamics in the Chinese and English language. PMID:28006026

Model of the Dynamic Construction Process of Texts and Scaling Laws of Words Organization in Language Systems.

PubMed

Li, Shan; Lin, Ruokuang; Bian, Chunhua; Ma, Qianli D Y; Ivanov, Plamen Ch

2016-01-01

Scaling laws characterize diverse complex systems in a broad range of fields, including physics, biology, finance, and social science. The human language is another example of a complex system of words organization. Studies on written texts have shown that scaling laws characterize the occurrence frequency of words, words rank, and the growth of distinct words with increasing text length. However, these studies have mainly concentrated on the western linguistic systems, and the laws that govern the lexical organization, structure and dynamics of the Chinese language remain not well understood. Here we study a database of Chinese and English language books. We report that three distinct scaling laws characterize words organization in the Chinese language. We find that these scaling laws have different exponents and crossover behaviors compared to English texts, indicating different words organization and dynamics of words in the process of text growth. We propose a stochastic feedback model of words organization and text growth, which successfully accounts for the empirically observed scaling laws with their corresponding scaling exponents and characteristic crossover regimes. Further, by varying key model parameters, we reproduce differences in the organization and scaling laws of words between the Chinese and English language. We also identify functional relationships between model parameters and the empirically observed scaling exponents, thus providing new insights into the words organization and growth dynamics in the Chinese and English language.

Investigation of the relationships between the thermodynamic phase behavior and gelation behavior of a series of tripodal trisamide compounds

NASA Astrophysics Data System (ADS)

Feng, Li

Low molecular weight organic gelators(LMOGs) are important due to potential applications in many fields. Currently, most of the major studies focus on the empirical explanation of the crystallization for gelator assembly formation and morphologies, few efforts have been devoted to the thermodynamic phase behaviors and the effect of the non-ideal solution behavior on the structure of the resultant gels. In this research, tripodal trisamide compounds, synthesized from tris(2-aminoethyl)amine (TREN) by condensation with different acid chlorides, were studied as model LMOGs due to the simple one-step reaction and the commercially available chemical reactants. Gelation of organic solvents was investigated as a function of concentration and solvent solubility parameter.It has been found that the introduction of branches or cyclic units have dramatically improves the gelation ability compared to linear alkyl peripheral units. Fitting the liquidus lines using the regular solution model and calculation of the trisamide solubility parameter using solubility parameter theory gave good agreement with the trisamide solubility parameter calculated by group contribution methods. These results demonstrate that non-ideal solution behavior is an important factor in the gelation behavior of low molecular mass organic gelators. Understanding and controlling the thermodynamics and phase behaviors of the gel systems will provide effective ways to produce new efficient LMOGs in the future.

EUD-based biological optimization for carbon ion therapy

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

Brüningk, Sarah C., E-mail: sarah.brueningk@icr.ac.uk; Kamp, Florian; Wilkens, Jan J.

2015-11-15

Purpose: Treatment planning for carbon ion therapy requires an accurate modeling of the biological response of each tissue to estimate the clinical outcome of a treatment. The relative biological effectiveness (RBE) accounts for this biological response on a cellular level but does not refer to the actual impact on the organ as a whole. For photon therapy, the concept of equivalent uniform dose (EUD) represents a simple model to take the organ response into account, yet so far no formulation of EUD has been reported that is suitable to carbon ion therapy. The authors introduce the concept of an equivalentmore » uniform effect (EUE) that is directly applicable to both ion and photon therapies and exemplarily implemented it as a basis for biological treatment plan optimization for carbon ion therapy. Methods: In addition to a classical EUD concept, which calculates a generalized mean over the RBE-weighted dose distribution, the authors propose the EUE to simplify the optimization process of carbon ion therapy plans. The EUE is defined as the biologically equivalent uniform effect that yields the same probability of injury as the inhomogeneous effect distribution in an organ. Its mathematical formulation is based on the generalized mean effect using an effect-volume parameter to account for different organ architectures and is thus independent of a reference radiation. For both EUD concepts, quadratic and logistic objective functions are implemented into a research treatment planning system. A flexible implementation allows choosing for each structure between biological effect constraints per voxel and EUD constraints per structure. Exemplary treatment plans are calculated for a head-and-neck patient for multiple combinations of objective functions and optimization parameters. Results: Treatment plans optimized using an EUE-based objective function were comparable to those optimized with an RBE-weighted EUD-based approach. In agreement with previous results from photon therapy, the optimization by biological objective functions resulted in slightly superior treatment plans in terms of final EUD for the organs at risk (OARs) compared to voxel-based optimization approaches. This observation was made independent of the underlying objective function metric. An absolute gain in OAR sparing was observed for quadratic objective functions, whereas intersecting DVHs were found for logistic approaches. Even for considerable under- or overestimations of the used effect- or dose–volume parameters during the optimization, treatment plans were obtained that were of similar quality as the results of a voxel-based optimization. Conclusions: EUD-based optimization with either of the presented concepts can successfully be applied to treatment plan optimization. This makes EUE-based optimization for carbon ion therapy a useful tool to optimize more specifically in the sense of biological outcome while voxel-to-voxel variations of the biological effectiveness are still properly accounted for. This may be advantageous in terms of computational cost during treatment plan optimization but also enables a straight forward comparison of different fractionation schemes or treatment modalities.« less

Mathematical Model for the Contribution of Individual Organs to Non-Zero Y-Intercepts in Single and Multi-Compartment Linear Models of Whole-Body Energy Expenditure

PubMed Central

Kaiyala, Karl J.

2014-01-01

Mathematical models for the dependence of energy expenditure (EE) on body mass and composition are essential tools in metabolic phenotyping. EE scales over broad ranges of body mass as a non-linear allometric function. When considered within restricted ranges of body mass, however, allometric EE curves exhibit ‘local linearity.’ Indeed, modern EE analysis makes extensive use of linear models. Such models typically involve one or two body mass compartments (e.g., fat free mass and fat mass). Importantly, linear EE models typically involve a non-zero (usually positive) y-intercept term of uncertain origin, a recurring theme in discussions of EE analysis and a source of confounding in traditional ratio-based EE normalization. Emerging linear model approaches quantify whole-body resting EE (REE) in terms of individual organ masses (e.g., liver, kidneys, heart, brain). Proponents of individual organ REE modeling hypothesize that multi-organ linear models may eliminate non-zero y-intercepts. This could have advantages in adjusting REE for body mass and composition. Studies reveal that individual organ REE is an allometric function of total body mass. I exploit first-order Taylor linearization of individual organ REEs to model the manner in which individual organs contribute to whole-body REE and to the non-zero y-intercept in linear REE models. The model predicts that REE analysis at the individual organ-tissue level will not eliminate intercept terms. I demonstrate that the parameters of a linear EE equation can be transformed into the parameters of the underlying ‘latent’ allometric equation. This permits estimates of the allometric scaling of EE in a diverse variety of physiological states that are not represented in the allometric EE literature but are well represented by published linear EE analyses. PMID:25068692

Benchmarking density functional theory predictions of framework structures and properties in a chemically diverse test set of metal-organic frameworks

DOE PAGES

Nazarian, Dalar; Ganesh, P.; Sholl, David S.

2015-09-30

We compiled a test set of chemically and topologically diverse Metal–Organic Frameworks (MOFs) with high accuracy experimentally derived crystallographic structure data. The test set was used to benchmark the performance of Density Functional Theory (DFT) functionals (M06L, PBE, PW91, PBE-D2, PBE-D3, and vdW-DF2) for predicting lattice parameters, unit cell volume, bonded parameters and pore descriptors. On average PBE-D2, PBE-D3, and vdW-DF2 predict more accurate structures, but all functionals predicted pore diameters within 0.5 Å of the experimental diameter for every MOF in the test set. The test set was also used to assess the variance in performance of DFT functionalsmore » for elastic properties and atomic partial charges. The DFT predicted elastic properties such as minimum shear modulus and Young's modulus can differ by an average of 3 and 9 GPa for rigid MOFs such as those in the test set. Moreover, we calculated the partial charges by vdW-DF2 deviate the most from other functionals while there is no significant difference between the partial charges calculated by M06L, PBE, PW91, PBE-D2 and PBE-D3 for the MOFs in the test set. We find that while there are differences in the magnitude of the properties predicted by the various functionals, these discrepancies are small compared to the accuracy necessary for most practical applications.« less

The Application of Wireless Sensor Networks in Management of Orchard

NASA Astrophysics Data System (ADS)

Zhu, Guizhi

A monitoring system based on wireless sensor network is established, aiming at the difficulty of information acquisition in the orchard on the hill at present. The temperature and humidity sensors are deployed around fruit trees to gather the real-time environmental parameters, and the wireless communication modules with self-organized form, which transmit the data to a remote central server, can realize the function of monitoring. By setting the parameters of data intelligent analysis judgment, the information on remote diagnosis and decision support can be timely and effectively feed back to users.

Modeling Source Water Threshold Exceedances with Extreme Value Theory

NASA Astrophysics Data System (ADS)

Rajagopalan, B.; Samson, C.; Summers, R. S.

2016-12-01

Variability in surface water quality, influenced by seasonal and long-term climate changes, can impact drinking water quality and treatment. In particular, temperature and precipitation can impact surface water quality directly or through their influence on streamflow and dilution capacity. Furthermore, they also impact land surface factors, such as soil moisture and vegetation, which can in turn affect surface water quality, in particular, levels of organic matter in surface waters which are of concern. All of these will be exacerbated by anthropogenic climate change. While some source water quality parameters, particularly Total Organic Carbon (TOC) and bromide concentrations, are not directly regulated for drinking water, these parameters are precursors to the formation of disinfection byproducts (DBPs), which are regulated in drinking water distribution systems. These DBPs form when a disinfectant, added to the water to protect public health against microbial pathogens, most commonly chlorine, reacts with dissolved organic matter (DOM), measured as TOC or dissolved organic carbon (DOC), and inorganic precursor materials, such as bromide. Therefore, understanding and modeling the extremes of TOC and Bromide concentrations is of critical interest for drinking water utilities. In this study we develop nonstationary extreme value analysis models for threshold exceedances of source water quality parameters, specifically TOC and bromide concentrations. In this, the threshold exceedances are modeled as Generalized Pareto Distribution (GPD) whose parameters vary as a function of climate and land surface variables - thus, enabling to capture the temporal nonstationarity. We apply these to model threshold exceedance of source water TOC and bromide concentrations at two locations with different climate and find very good performance.

Correlative live and super-resolution imaging reveals the dynamic structure of replication domains.

PubMed

Xiang, Wanqing; Roberti, M Julia; Hériché, Jean-Karim; Huet, Sébastien; Alexander, Stephanie; Ellenberg, Jan

2018-06-04

Chromosome organization in higher eukaryotes controls gene expression, DNA replication, and DNA repair. Genome mapping has revealed the functional units of chromatin at the submegabase scale as self-interacting regions called topologically associating domains (TADs) and showed they correspond to replication domains (RDs). A quantitative structural and dynamic description of RD behavior in the nucleus is, however, missing because visualization of dynamic subdiffraction-sized RDs remains challenging. Using fluorescence labeling of RDs combined with correlative live and super-resolution microscopy in situ, we determined biophysical parameters to characterize the internal organization, spacing, and mechanical coupling of RDs. We found that RDs are typically 150 nm in size and contain four co-replicating regions spaced 60 nm apart. Spatially neighboring RDs are spaced 300 nm apart and connected by highly flexible linker regions that couple their motion only <550 nm. Our pipeline allows a robust quantitative characterization of chromosome structure in situ and provides important biophysical parameters to understand general principles of chromatin organization. © 2018 Xiang et al.

Effects of organic pollution on biological communities of marine biofilm on hard substrata.

PubMed

Sanz-Lázaro, C; Fodelianakis, S; Guerrero-Meseguer, L; Marín, A; Karakassis, I

2015-06-01

We examined the effect of organic enrichment on diatom and bacterial assemblages of marine epilithic biofilms on two locations in the Mediterranean, one situated in Spain and the other in Greece. Total organic carbon, total organic nitrogen, stable isotopes (δ(13)C and δ(15)N) and chlorophyll a indicated significant incorporation of organic wastes, increased primary production and trophic niche modifications on the biofilms close to the organic enrichment source. In Spain, where the organic load was higher than in Greece, diatom and, to some extent, bacterial assemblages varied following the organic enrichment gradient. The taxonomic richness of diatom and bacterial communities was not influenced by organic enrichment. Classical community parameters showed consistent patterns to organic pollution in both locations, whereas community assemblages were only influenced when organic pollution was greatest. The successional patterns of these communities were similar to other epilithic communities. The modification of community assemblages induced by organic pollution may affect ecological functions. Copyright © 2015 Elsevier Ltd. All rights reserved.

Electronic structure, transport, and collective effects in molecular layered systems.

PubMed

Hahn, Torsten; Ludwig, Tim; Timm, Carsten; Kortus, Jens

2017-01-01

The great potential of organic heterostructures for organic device applications is exemplified by the targeted engineering of the electronic properties of phthalocyanine-based systems. The transport properties of two different phthalocyanine systems, a pure copper phthalocyanine (CoPc) and a flourinated copper phthalocyanine-manganese phthalocyanine (F 16 CoPc/MnPc) heterostructure, are investigated by means of density functional theory (DFT) and the non-equilibrium Green's function (NEGF) approach. Furthermore, a master-equation-based approach is used to include electronic correlations beyond the mean-field-type approximation of DFT. We describe the essential theoretical tools to obtain the parameters needed for the master equation from DFT results. Finally, an interacting molecular monolayer is considered within a master-equation approach.

Stars and Stripes in the Cerebellar Cortex: A Voltage Sensitive Dye Study

PubMed Central

Rokni, Dan; Llinas, Rodolfo; Yarom, Yosef

2007-01-01

The lattice-like structure of the cerebellar cortex and its anatomical organization in two perpendicular axes provided the foundations for many theories of cerebellar function. However, the functional organization does not always match the anatomical organization. Thus direct measurement of the functional organization is central to our understanding of cerebellar processing. Here we use voltage sensitive dye imaging in the isolated cerebellar preparation to characterize the spatio-temporal organization of the climbing and mossy fiber (MF) inputs to the cerebellar cortex. Spatial and temporal parameters were used to develop reliable criteria to distinguish climbing fiber (CF) responses from MF responses. CF activation excited postsynaptic neurons along a parasagittal cortical band. These responses were composed of slow (∼25 ms), monophasic depolarizing signals. Neither the duration nor the spatial distribution of CF responses were affected by inhibition. Activation of MF generated responses that were organized in radial patches, and were composed of a fast (∼5 ms) depolarizing phase followed by a prolonged (∼100 ms) negative wave. Application of a GABAA blocker eliminated the hyperpolarizing phase and prolonged the depolarizing phase, but did not affect the spatial distribution of the response, thus suggesting that it is not the inhibitory system that is responsible for the inability of the MF input to generate beams of activity that propagate along the parallel fiber system. PMID:18958242

[Kidney allotransplantation from the AB0-incompatible donors].

PubMed

Goriaĭnov, V A; Kaabak, M M; Babenko, N N; Shishlo, L A; Morozova, M M; Ragimov, A A; Dazhkova, N G; Salimov, E L

2013-01-01

The experience of 28 kidney allotransplantations from the AB0-incompatible donors was analyzed. The comparative group consisted of 38 patients, who received the AB0-compatible organ. The results were assessed using the following parameters: renal function, morphology of the biopsy samples of the transplanted kidney and actuary survival of the recipients with functioning transplants in both groups. The comparative analysis showed no significant difference between the two groups, giving the right to consider the kidney allotransplantation from the AB0-incompatible donors safe and effective.

Dissecting the accountability of parameterized and parameter-free single-hybrid and double-hybrid functionals for photophysical properties of TADF-based OLEDs

NASA Astrophysics Data System (ADS)

Alipour, Mojtaba; Karimi, Niloofar

2017-06-01

Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) emitters are an attractive category of materials that have witnessed a booming development in recent years. In the present contribution, we scrutinize the accountability of parameterized and parameter-free single-hybrid (SH) and double-hybrid (DH) functionals through the two formalisms, full time-dependent density functional theory (TD-DFT) and Tamm-Dancoff approximation (TDA), for the estimation of photophysical properties like absorption energy, emission energy, zero-zero transition energy, and singlet-triplet energy splitting of TADF molecules. According to our detailed analyses on the performance of SHs based on TD-DFT and TDA, the TDA-based parameter-free SH functionals, PBE0 and TPSS0, with one-third of exact-like exchange turned out to be the best performers in comparison to other functionals from various rungs to reproduce the experimental data of the benchmarked set. Such affordable SH approximations can thus be employed to predict and design the TADF molecules with low singlet-triplet energy gaps for OLED applications. From another perspective, considering this point that both the nonlocal exchange and correlation are essential for a more reliable description of large charge-transfer excited states, applicability of the functionals incorporating these terms, namely, parameterized and parameter-free DHs, has also been evaluated. Perusing the role of exact-like exchange, perturbative-like correlation, solvent effects, and other related factors, we find that the parameterized functionals B2π-PLYP and B2GP-PLYP and the parameter-free models PBE-CIDH and PBE-QIDH have respectable performance with respect to others. Lastly, besides the recommendation of reliable computational protocols for the purpose, hopefully this study can pave the way toward further developments of other SHs and DHs for theoretical explorations in the field of OLEDs technology.

Constructal Law of Vascular Trees for Facilitation of Flow

PubMed Central

Razavi, Mohammad S.; Shirani, Ebrahim; Salimpour, Mohammad Reza; Kassab, Ghassan S.

2014-01-01

Diverse tree structures such as blood vessels, branches of a tree and river basins exist in nature. The constructal law states that the evolution of flow structures in nature has a tendency to facilitate flow. This study suggests a theoretical basis for evaluation of flow facilitation within vascular structure from the perspective of evolution. A novel evolution parameter (Ev) is proposed to quantify the flow capacity of vascular structures. Ev is defined as the ratio of the flow conductance of an evolving structure (configuration with imperfection) to the flow conductance of structure with least imperfection. Attaining higher Ev enables the structure to expedite flow circulation with less energy dissipation. For both Newtonian and non-Newtonian fluids, the evolution parameter was developed as a function of geometrical shape factors in laminar and turbulent fully developed flows. It was found that the non-Newtonian or Newtonian behavior of fluid as well as flow behavior such as laminar or turbulent behavior affects the evolution parameter. Using measured vascular morphometric data of various organs and species, the evolution parameter was calculated. The evolution parameter of the tree structures in biological systems was found to be in the range of 0.95 to 1. The conclusion is that various organs in various species have high capacity to facilitate flow within their respective vascular structures. PMID:25551617

Influences of surface charge, size, and concentration of colloidal nanoparticles on fabrication of self-organized porous silica in film and particle forms.

PubMed

Nandiyanto, Asep Bayu Dani; Suhendi, Asep; Arutanti, Osi; Ogi, Takashi; Okuyama, Kikuo

2013-05-28

Studies on preparation of porous material have attracted tremendous attention because existence of pores can provide material with excellent performances. However, current preparation reports described successful production of porous material with only partial information on charges, interactions, sizes, and compositions of the template and host materials. In this report, influences of self-assembly parameters (i.e., surface charge, size, and concentration of colloidal nanoparticles) on self-organized porous material fabrication were investigated. Silica nanoparticles (as a host material) and polystyrene (PS) spheres (as a template) were combined to produce self-assembly porous materials in film and particle forms. The experimental results showed that the porous structure and pore size were controllable and strongly depended on the self-assembly parameters. Materials containing highly ordered pores were effectively created only when process parameters fall within appropriate conditions (i.e., PS surface charge ≤ -30 mV; silica-to-PS size ratio ≤0.078; and silica-to-PS mass ratio of about 0.50). The investigation of the self-assembly parameter landscape was also completed using geometric considerations. Because optimization of these parameters provides significant information in regard to practical uses, results of this report could be relevant to other functional properties.

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

NASA Astrophysics Data System (ADS)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

Self-organized pattern formation at organic-inorganic interfaces during deposition: Experiment versus modeling

NASA Astrophysics Data System (ADS)

Szillat, F.; Mayr, S. G.

2011-09-01

Self-organized pattern formation during physical vapor deposition of organic materials onto rough inorganic substrates is characterized by a complex morphological evolution as a function of film thickness. We employ a combined experimental-theoretical study using atomic force microscopy and numerically solved continuum rate equations to address morphological evolution in the model system: poly(bisphenol A carbonate) on polycrystalline Cu. As the key ingredients for pattern formation, (i) curvature and interface potential driven surface diffusion, (ii) deposition noise, and (iii) interface boundary effects are identified. Good agreement of experiments and theory, fitting only the Hamaker constant and diffusivity within narrow physical parameter windows, corroborates the underlying physics and paves the way for computer-assisted interface engineering.

State of some peripheral organs during laser puncture correction of ovarian functional deficiency

NASA Astrophysics Data System (ADS)

Vylegzhanina, T. A.; Kuznetsova, Tatiana I.; Maneeva, O.; Ryzhkovskaya, E. L.; Yemelianova, A.

2001-01-01

The findings from studies on structural and functional parameters of the adrenal, thyroid, and pineal glands in conditions of ovarian hypofunction and after its correction by laser puncture are presented. An experimentally induced hypofunction of the ovaries was shown to be accompanied by a decreased hormonal synthesis in the cortical fascicular zone. The epiphysis showed ultra structural signs of increased functional activity. Application of a helium-neon laser to biologically active points of the ovarian reflexogenic zone induced normalization of the ovarian cycle, potentiating of the adrenal functional state, and a decreased thyroid hormone production and abolished the activatory effect of the dark regime on the functional state of the pineal gland.

Nonempirical range-separated hybrid functionals for solids and molecules

DOE PAGES

Skone, Jonathan H.; Govoni, Marco; Galli, Giulia

2016-06-03

Dielectric-dependent hybrid (DDH) functionals were recently shown to yield accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than that of GW calculations. The fraction of exact exchange included in the definition of DDH functionals depends (self-consistently) on the dielectric constant of the material. Here we introduce a range-separated (RS) version of DDH functionals where short and long-range components are matched using system dependent, non-empirical parameters. We show that RS DDHs yield accurate electronic properties of inorganic and organic solids, including energy gaps and absolute ionization potentials. Moreover, we show thatmore » these functionals may be generalized to finite systems.« less

Simulating evolution of protein complexes through gene duplication and co-option.

PubMed

Haarsma, Loren; Nelesen, Serita; VanAndel, Ethan; Lamine, James; VandeHaar, Peter

2016-06-21

We present a model of the evolution of protein complexes with novel functions through gene duplication, mutation, and co-option. Under a wide variety of input parameters, digital organisms evolve complexes of 2-5 bound proteins which have novel functions but whose component proteins are not independently functional. Evolution of complexes with novel functions happens more quickly as gene duplication rates increase, point mutation rates increase, protein complex functional probability increases, protein complex functional strength increases, and protein family size decreases. Evolution of complexity is inhibited when the metabolic costs of making proteins exceeds the fitness gain of having functional proteins, or when point mutation rates get so large the functional proteins undergo deleterious mutations faster than new functional complexes can evolve. Copyright © 2016 Elsevier Ltd. All rights reserved.

Determination of photophysical parameters of chlorophyll {alpha} in photosynthetic organisms using the method of nonlinear laser fluorimetry

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

Gostev, T S; Fadeev, V V

2011-05-31

We study the possibility of solving the multiparameter inverse problem of nonlinear laser fluorimetry of molecular systems with high local concentration of fluorophores (by the example of chlorophyll {alpha} molecules in photosynthetic organisms). The algorithms are proposed that allow determination of up to four photophysical parameters of chlorophyll {alpha} from the experimental fluorescence saturation curves. The uniqueness and stability of the inverse problem solution obtained using the proposed algorithms were assessed numerically. The laser spectrometer, designed in the course of carrying out the work and aimed at nonlinear laser fluorimetry in the quasi-stationary and nonstationary excitation regimes is described. Themore » algorithms, proposed in this paper, are tested on pure cultures of microalgae Chlorella pyrenoidosa and Chlamydomonas reinhardtii under different functional conditions. (optical technologies in biophysics and medicine)« less

World Wide Web-based system for the calculation of substituent parameters and substituent similarity searches.

PubMed

Ertl, P

1998-02-01

Easy to use, interactive, and platform-independent WWW-based tools are ideal for development of chemical applications. By using the newly emerging Web technologies such as Java applets and sophisticated scripting, it is possible to deliver powerful molecular processing capabilities directly to the desk of synthetic organic chemists. In Novartis Crop Protection in Basel, a Web-based molecular modelling system has been in use since 1995. In this article two new modules of this system are presented: a program for interactive calculation of important hydrophobic, electronic, and steric properties of organic substituents, and a module for substituent similarity searches enabling the identification of bioisosteric functional groups. Various possible applications of calculated substituent parameters are also discussed, including automatic design of molecules with the desired properties and creation of targeted virtual combinatorial libraries.

Evaluation of chronic kidney disease in chronic heart failure: From biomarkers to arterial renal resistances

PubMed Central

Iacoviello, Massimo; Leone, Marta; Antoncecchi, Valeria; Ciccone, Marco Matteo

2015-01-01

Chronic kidney disease and its worsening are recurring conditions in chronic heart failure (CHF) which are independently associated with poor patient outcome. The heart and kidney share many pathophysiological mechanisms which can determine dysfunction in each organ. Cardiorenal syndrome is the condition in which these two organs negatively affect each other, therefore an accurate evaluation of renal function in the clinical setting of CHF is essential. This review aims to revise the parameters currently used to evaluate renal dysfunction in CHF with particular reference to the usefulness and the limitations of biomarkers in evaluating glomerular dysfunction and tubular damage. Moreover, it is reported the possible utility of renal arterial resistance index (a parameter associated with abnormalities in renal vascular bed) for a better assesment of kidney disfunction. PMID:25610846

Triplet Tuning - a New ``BLACK-BOX'' Computational Scheme for Photochemically Active Molecules

NASA Astrophysics Data System (ADS)

Lin, Zhou; Van Voorhis, Troy

2017-06-01

Density functional theory (DFT) is an efficient computational tool that plays an indispensable role in the design and screening of π-conjugated organic molecules with photochemical significance. However, due to intrinsic problems in DFT such as self-interaction error, the accurate prediction of energy levels is still a challenging task. Functionals can be parameterized to correct these problems, but the parameters that make a well-behaved functional are system-dependent rather than universal in most cases. To alleviate both problems, optimally tuned range-separated hybrid functionals were introduced, in which the range-separation parameter, ω, can be adjusted to impose Koopman's theorem, ɛ_{HOMO} = -I. These functionals turned out to be good estimators for asymptotic properties like ɛ_{HOMO} and ɛ_{LUMO}. In the present study, we propose a ``black-box'' procedure that allows an automatic construction of molecule-specific range-separated hybrid functionals following the idea of such optimal tuning. However, instead of focusing on ɛ_{HOMO} and ɛ_{LUMO}, we target more local, photochemistry-relevant energy levels such as the lowest triplet state, T_1. In practice, we minimize the difference between two E_{{T}_1}'s that are obtained from two DFT-based approaches, Δ-SCF and linear-response TDDFT. We achieve this minimization using a non-empirical adjustment of two parameters in the range-separated hybrid functional - ω, and the percentage of Hartree-Fock contribution in the short-range exchange, c_{HF}. We apply this triplet tuning scheme to a variety of organic molecules with important photochemical applications, including laser dyes, photovoltaics, and light-emitting diodes, and achieved good agreements with the spectroscopic measurements for E_{{T}_1}'s and related local properties. A. Dreuw and M. Head-Gordon, Chem. Rev. 105, 4009 (2015). O. A. Vydrov and G. E. Scuseria, J. Chem. Phys. 125, 234109 (2006). L. Kronik, T. Stein, S. Refaely-Abramson, and R. Baer, J. Chem. Theory Comput. 8, 1515 (2012). Z. Lin and T. A. Van Voorhis, in preparation for submission to J. Chem. Theory Comput.

Statistical-mechanical analysis of self-organization and pattern formation during the development of visual maps

NASA Astrophysics Data System (ADS)

Obermayer, K.; Blasdel, G. G.; Schulten, K.

1992-05-01

We report a detailed analytical and numerical model study of pattern formation during the development of visual maps, namely, the formation of topographic maps and orientation and ocular dominance columns in the striate cortex. Pattern formation is described by a stimulus-driven Markovian process, the self-organizing feature map. This algorithm generates topologically correct maps between a space of (visual) input signals and an array of formal ``neurons,'' which in our model represents the cortex. We define order parameters that are a function of the set of visual stimuli an animal perceives, and we demonstrate that the formation of orientation and ocular dominance columns is the result of a global instability of the retinoptic projection above a critical value of these order parameters. We characterize the spatial structure of the emerging patterns by power spectra, correlation functions, and Gabor transforms, and we compare model predictions with experimental data obtained from the striate cortex of the macaque monkey with optical imaging. Above the critical value of the order parameters the model predicts a lateral segregation of the striate cortex into (i) binocular regions with linear changes in orientation preference, where iso-orientation slabs run perpendicular to the ocular dominance bands, and (ii) monocular regions with low orientation specificity, which contain the singularities of the orientation map. Some of these predictions have already been verified by experiments.

Can the Equivalent Sphere Model Approximate Organ Doses in Space?

NASA Technical Reports Server (NTRS)

Lin, Zi-Wei

2007-01-01

For space radiation protection it is often useful to calculate dose or dose,equivalent in blood forming organs (BFO). It has been customary to use a 5cm equivalent sphere to. simulate the BFO dose. However, many previous studies have concluded that a 5cm sphere gives very different dose values from the exact BFO values. One study [1] . concludes that a 9 cm sphere is a reasonable approximation for BFO'doses in solar particle event environments. In this study we use a deterministic radiation transport [2] to investigate the reason behind these observations and to extend earlier studies. We take different space radiation environments, including seven galactic cosmic ray environments and six large solar particle events, and calculate the dose and dose equivalent in the skin, eyes and BFO using their thickness distribution functions from the CAM (Computerized Anatomical Man) model [3] The organ doses have been evaluated with a water or aluminum shielding of an areal density from 0 to 20 g/sq cm. We then compare with results from the equivalent sphere model and determine in which cases and at what radius parameters the equivalent sphere model is a reasonable approximation. Furthermore, we address why the equivalent sphere model is not a good approximation in some cases. For solar particle events, we find that the radius parameters for the organ dose equivalent increase significantly with the shielding thickness, and the model works marginally for BFO but is unacceptable for the eye or the skin. For galactic cosmic rays environments, the equivalent sphere model with an organ-specific constant radius parameter works well for the BFO dose equivalent, marginally well for the BFO dose and the dose equivalent of the eye or the skin, but is unacceptable for the dose of the eye or the skin. The ranges of the radius parameters are also being investigated, and the BFO radius parameters are found to be significantly, larger than 5 cm in all cases, consistent with the conclusion of an earlier study [I]. The radius parameters for the dose equivalent in GCR environments are approximately between 10 and I I cm for the BFO, 3.7 to 4.8 cm for the eye, and 3.5 to 5.6 cm for the skin; while the radius parameters are between 10 and 13 cm for the BFO dose.

Stratum corneum drying drives vertical compression and lipid organization and improves barrier function in vitro.

PubMed

Iwai, Ichiro; Kunizawa, Naomi; Yagi, Eiichiro; Hirao, Tetsuji; Hatta, Ichiro

2013-03-27

The stratum corneum dehydrates after exogenous hydration due to skincare or bathing. In this study, sheets of stratum corneum were isolated from reconstructed human epidermis and the barrier function and structure of these sheets were assessed during drying with the aim of improving our understanding of skincare. Water diffusion through the sheets of stratum corneum decreased with drying, accompanied by decreased thickness and increased visible light transmission through the sheets. Electron paramagnetic resonance revealed that the order parameter values of stratum corneum lipids increased with drying. X-ray diffraction analysis revealed increases in the diffraction intensity of lamellar structures, with an 11-12 nm periodicity and spacing of 0.42 nm for lattice structures with drying. These results suggest that the drying process improves the barrier function of the stratum corneum by organizing the intercellular lipids in a vertically compressed arrangement.

Assessment of Process Capability: the case of Soft Drinks Processing Unit

NASA Astrophysics Data System (ADS)

Sri Yogi, Kottala

2018-03-01

The process capability studies have significant impact in investigating process variation which is important in achieving product quality characteristics. Its indices are to measure the inherent variability of a process and thus to improve the process performance radically. The main objective of this paper is to understand capability of the process being produced within specification of the soft drinks processing unit, a premier brands being marketed in India. A few selected critical parameters in soft drinks processing: concentration of gas volume, concentration of brix, torque of crock has been considered for this study. Assessed some relevant statistical parameters: short term capability, long term capability as a process capability indices perspective. For assessment we have used real time data of soft drinks bottling company which is located in state of Chhattisgarh, India. As our research output suggested reasons for variations in the process which is validated using ANOVA and also predicted Taguchi cost function, assessed also predicted waste monetarily this shall be used by organization for improving process parameters. This research work has substantially benefitted the organization in understanding the various variations of selected critical parameters for achieving zero rejection.

Systematic review of kidney transplantation functional predictors.

PubMed

Miret Alomar, E; Trilla Herrera, E; Lorente Garcia, D; Regis Placido, L; López Del Campo, R; Cuadras Solé, M; Pont Castellana, T; Moreso Mateos, F; Serón Micas, D; Morote Robles, J

2018-05-01

Kidney transplantation from donors with expanded criteria has increased the pool of kidneys at the cost of a higher risk of short and long-term graft dysfunction. The main issue lies in determining which kidneys will offer acceptable function and survival compared with the risk represented by surgery and subsequent immunosuppression. The objective of our article is to review the current evidence on the tools for predicting the functionality of kidney transplantation from cadaveric donors with expanded criteria and determining the validity for their use in standard practice. We conducted a systematic literature review according to the PRISM criteria, through Medline (http://www.ncbi.nlm.nih.gov) and using the keywords (in isolation or in conjunction) "cadaveric renal transplantation; kidney graft function appraisal, graft function predictors". We selected prospective and retrospective series and review articles. A total of 375 articles were analysed, 39 of which were ultimately selected for review. The predictors of functionality include the following: The donor risk indices; the calculation of the renal functional weight or the assessment of the nephronic mass; the measurement of vascular resistances during perfusion in hypothermia; the measurement of the donor's biomarkers in urine and in the perfusion liquid; the measurement of functional and reperfusion parameters in normothermia; and the measurement of morphological parameters (microscopic and macroscopic) of the target organ. In this article, we present an explanatory summary of each of these parameters, as well as their most recent evidence on this issue. None of the reviewed parameters in isolation could reliably predict renal function and graft survival. There is a significant void in terms of the macroscopic assessment of kidney transplantation. We need to continue developing predictors of renal functionality to accurately define the distribution of each currently available donor kidney. Copyright © 2017 AEU. Publicado por Elsevier España, S.L.U. All rights reserved.

SWMPr: An R Package for Retrieving, Organizing, and ...

EPA Pesticide Factsheets

The System-Wide Monitoring Program (SWMP) was implemented in 1995 by the US National Estuarine Research Reserve System. This program has provided two decades of continuous monitoring data at over 140 fixed stations in 28 estuaries. However, the increasing quantity of data provided by the monitoring network has complicated broad-scale comparisons between systems and, in some cases, prevented simple trend analysis of water quality parameters at individual sites. This article describes the SWMPr package that provides several functions that facilitate data retrieval, organization, andanalysis of time series data in the reserve estuaries. Previously unavailable functions for estuaries are also provided to estimate rates of ecosystem metabolism using the open-water method. The SWMPr package has facilitated a cross-reserve comparison of water quality trends and links quantitative information with analysis tools that have use for more generic applications to environmental time series. The manuscript describes a software package that was recently developed to retrieve, organize, and analyze monitoring data from the National Estuarine Research Reserve System. Functions are explained in detail, including recent applications for trend analysis of ecosystem metabolism.

Characterizing scale- and location-dependent correlation of water retention parameters with soil physical properties using wavelet techniques.

PubMed

Shu, Qiaosheng; Liu, Zuoxin; Si, Bingcheng

2008-01-01

Understanding the correlation between soil hydraulic parameters and soil physical properties is a prerequisite for the prediction of soil hydraulic properties from soil physical properties. The objective of this study was to examine the scale- and location-dependent correlation between two water retention parameters (alpha and n) in the van Genuchten (1980) function and soil physical properties (sand content, bulk density [Bd], and organic carbon content) using wavelet techniques. Soil samples were collected from a transect from Fuxin, China. Soil water retention curves were measured, and the van Genuchten parameters were obtained through curve fitting. Wavelet coherency analysis was used to elucidate the location- and scale-dependent relationships between these parameters and soil physical properties. Results showed that the wavelet coherence between alpha and sand content was significantly different from red noise at small scales (8-20 m) and from a distance of 30 to 470 m. Their wavelet phase spectrum was predominantly out of phase, indicating negative correlation between these two variables. The strong negative correlation between alpha and Bd existed mainly at medium scales (30-80 m). However, parameter n had a strong positive correlation only with Bd at scales between 20 and 80 m. Neither of the two retention parameters had significant wavelet coherency with organic carbon content. These results suggested that location-dependent scale analyses are necessary to improve the performance for soil water retention characteristic predictions.

The 24-hour normothermic machine perfusion of discarded human liver grafts.

PubMed

Vogel, Thomas; Brockmann, Jens G; Quaglia, Alberto; Morovat, Alireza; Jassem, Wayel; Heaton, Nigel D; Coussios, Constantin C; Friend, Peter J

2017-02-01

Donor organ shortage necessitates use of less than optimal donor allografts for transplantation. The current cold storage preservation technique fails to preserve marginal donor grafts sufficiently. Evidence from large animal experiments suggests superiority of normothermic machine preservation (NMP) of liver allografts. In this study, we analyze discarded human liver grafts that underwent NMP for the extended period of 24 hours. Thirteen human liver grafts which had been discarded for transplantation were entered into this study. Perfusion was performed with an automated device using an oxygenated, sanguineous perfusion solution at normothermia. Automated control was incorporated for temperature-, flow-, and pressure-regulation as well as oxygenation. All livers were perfused for 24 hours; parameters of biochemical and synthetic liver function as well as histological parameters of liver damage were analyzed. Livers were stratified for expected viability according to the donor's medical history, procurement data, and their macroscopic appearance. Normothermic perfusion preservation of human livers for 24 hours was shown to be technically feasible. Human liver grafts, all of which had been discarded for transplantation, showed levels suggesting organ viability with respect to metabolic and synthetic liver function (to varying degrees). There was positive correlation between instantly available perfusion parameters and generally accepted predictors of posttransplant graft survival. In conclusion, NMP is feasible reliably for periods of at least 24 hours, even in highly suboptimal donor organs. Potential benefits include not only viability testing (as suggested in recent clinical implementations), but also removal of the time constraints associated with the utilization of high-risk livers, and recovery of ischemic and other preretrieval injuries (possibly by enabling therapeutic strategies during NMP). Liver Transplantation 23 207-220 2017 AASLD. © 2016 by the American Association for the Study of Liver Diseases.

Successful Dual Kidney Transplantation After Hypothermic Oxygenated Perfusion of Discarded Human Kidneys

PubMed Central

Ravaioli, Matteo; De Pace, Vanessa; Comai, Giorgia; Busutti, Marco; Gaudio, Massimo Del; Amaduzzi, Annalisa; Cucchetti, Alessandro; Siniscalchi, Antonio; La Manna, Gaetano; D’Errico, Antonietta A.D.; Pinna, Antonio Daniele

2017-01-01

Patient: Female, 58 Final Diagnosis: Nephroangiosclerosis Symptoms: Renal failure Medication: — Clinical Procedure: Resuscitation of grafts by hypothermic oxygenated perfusion Specialty: Transplantology Objective: Challenging differential diagnosis Background: The recovery of discarded human kidneys has increased in recent years and impels to use of unconventional organ preservation strategies that improve graft function. We report the first case of human kidneys histologically discarded and transplanted after hypothermic oxygenated perfusion (HOPE). Case Report: Marginal kidneys from a 78-year-old woman with brain death were declined by Italian transplant centers due to biopsy score (right kidney: 6; left kidney: 7). We recovered and preserved both kidneys through HOPE and we revaluated their use for transplantation by means of perfusion parameters. The right kidney was perfused for 1 h 20 min and the left kidney for 2 h 30 min. During organ perfusion, the renal flow increased progressively. We observed an increase of 34% for the left kidney (median flow 52 ml/min) and 50% for the right kidney (median flow 24 ml/min). Both kidneys had low perfusate’s lactate levels. We used perfusion parameters as important determinants of the organ discard. Based on our previous organ perfusion experience, the increase of renal flow and the low level of lactate following 1 h of HOPE lead us to declare both kidneys as appropriate for dual kidney transplantation (DKT). No complications were reported during the transplant and in the post-transplant hospital stay. The recipient had immediate graft function and serum creatinine value of 0.95 mg/dL at 3 months post-transplant. Conclusions: HOPE provides added information in the organ selection process and may improve graft quality of marginal kidneys. PMID:28928357

Variable-Domain Functional Regression for Modeling ICU Data.

PubMed

Gellar, Jonathan E; Colantuoni, Elizabeth; Needham, Dale M; Crainiceanu, Ciprian M

2014-12-01

We introduce a class of scalar-on-function regression models with subject-specific functional predictor domains. The fundamental idea is to consider a bivariate functional parameter that depends both on the functional argument and on the width of the functional predictor domain. Both parametric and nonparametric models are introduced to fit the functional coefficient. The nonparametric model is theoretically and practically invariant to functional support transformation, or support registration. Methods were motivated by and applied to a study of association between daily measures of the Intensive Care Unit (ICU) Sequential Organ Failure Assessment (SOFA) score and two outcomes: in-hospital mortality, and physical impairment at hospital discharge among survivors. Methods are generally applicable to a large number of new studies that record a continuous variables over unequal domains.

Differences in Radiation Dosimetry and Anorectal Function Testing Imply That Anorectal Symptoms May Arise From Different Anatomic Substrates

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

Smeenk, Robert Jan, E-mail: r.smeenk@rther.umcn.nl; Hopman, Wim P.M.; Hoffmann, Aswin L.

2012-01-01

Purpose: To explore the influence of functional changes and dosimetric parameters on specific incontinence-related anorectal complaints after prostate external beam radiotherapy and to estimate dose-effect relations for the anal wall and rectal wall. Methods and Materials: Sixty patients, irradiated for localized prostate cancer, underwent anorectal manometry and barostat measurements to evaluate anal pressures, rectal capacity, and rectal sensory functions. In addition, 30 untreated men were analyzed as a control group. In 36 irradiated patients, the anal wall and rectal wall were retrospectively delineated on planning computed tomography scans, and dosimetric parameters were retrieved from the treatment plans. Functional and dosimetricmore » parameters were compared between patients with and without complaints, focusing on urgency, incontinence, and frequency. Results: After external beam radiotherapy, reduced anal pressures and tolerated rectal volumes were observed, irrespective of complaints. Patients with urgency and/or incontinence showed significantly lower anal resting pressures (mean 38 and 39 vs. 49 and 50 mm Hg) and lower tolerated rectal pressures (mean 28 and 28 vs. 33 and 34 mm Hg), compared to patients without these complaints. In patients with frequency, almost all rectal parameters were reduced. Several dosimetric parameters to the anal wall and rectal wall were predictive for urgency (e.g., anal D{sub mean}>38Gy), whereas some anal wall parameters correlated to incontinence and no dose-effect relation for frequency was found. Conclusions: Anorectal function deteriorates after external beam radiotherapy. Different incontinence-related complaints show specific anorectal dysfunctions, suggesting different anatomic and pathophysiologic substrates: urgency and incontinence seem to originate from both anal wall and rectal wall, whereas frequency seems associated with rectal wall dysfunction. Also, dose-effect relations differed between these complaints. This implies that anal wall and rectal wall should be considered separate organs in radiotherapy planning.« less

Characterisation of dissolved organic matter in stormwater using high-performance size exclusion chromatography.

PubMed

Huang, Huiping; Chow, Christopher W K; Jin, Bo

2016-04-01

Understanding the complexity of dissolved organic matter (DOM) in stormwater has drawn a lot of interest, since DOM from stormwater causes not only environmental impacts, but also worsens downstream aquatic quality associated with water supply and treatability. This study introduced and employed high-performance size exclusion chromatography (HPSEC) coupled with an ultraviolet-visible (UV-vis) diode array detector to assess changes in stormwater-associated DOM characteristics. Stormwater DOM was also analysed in relation to storm event characteristics, water quality and spectroscopic analysis. Statistical tools were used to determine the correlations within DOM and water quality measurements. Results showed that dissolved organic carbon (DOC) and UV absorbance at 254 nm (UV254) as conventional DOM parameters were found to be correlated well to the changes in stormwater quality during each of the three storm events studied. Both detector wavelengths (210 and 254 nm) and their ratio (A210/A254) were found to provide additional information on the physiochemical properties of stormwater-associated DOM. This study indicated that A210/A254 is an important parameter which could be used to estimate the DOM proportions of functional groups and conjugated carbon species. This study provided also an understanding of stormwater quality constituents through assessing variability and sensitivity for various parameters, and the additional information of rainfall characteristics on runoff quality data for a better understanding of parameter correlations and influences. Copyright © 2015. Published by Elsevier B.V.

Protective Effect of Sorrel Extract on Adult Rats Treated by Carbon Tetrachloride

PubMed Central

Alkushi, Abdullah Glil

2017-01-01

Context: Heart, kidneys, and liver are the vital organs present in vertebrates and some other animals. They have a wide range of functions, such as maintaining homeostasis, detoxification, protein synthesis, and production of biochemical, that are necessary for digestion and maintaining circulation. These organs are necessary for the survival, and currently, there are no means to compensate for the absence of their functionalities in a long term. The damage of liver can affect other vital organs, including kidneys and heart. Aims: This study aimed at investigating the effect of sorrel extract in the treatment of some of the diseases of liver, kidneys, and heart using experimental animals. Settings and Design: This study is a randomized, controlled clinical trial. Materials and Methods: Forty mature male albino rats, weighing 150–160 g, were used and divided into four equal groups. One group was kept as negative control (C −ve) group whereas the other three groups were injected subcutaneously (s/c) with carbon tetrachloride in 50% V/V paraffin oil (2 ml/kg b.wt.). Tissue specimens were obtained from all the groups and fixed in 10% formalin for histopathological examination. Statistical Analysis Used: The obtained data were statistically analyzed using computerized Superior Performing Statistical Software (SPSS) at SAS Institute, Cary, NC, USA. Effects of different treatments were analyzed by one-way analysis of variance test using Duncan's multiple range test, and P < 0.05 was also used to indicate the significance level between different groups (Snedecor and Cochran, 1967). Results: The resulting data showed that the sorrel extract demonstrated a significant enhancement in liver intoxication and all other tested parameters. In addition, it also helped in minimizing the structural tissue damages in the vital organs. Conclusions: According to these results, sorrel can impair the liver function and maintain the functions of the vital organs. SUMMARY All rats, poisoned with carbon tetrachloride (CCl4) and administrated with all tested herbs, showed a significant increase in BWG as compared to the control (+ve) groupSorrel extract demonstrates a significant enhancement in liver intoxication and all other tested parameters and can reduce the lipid peroxidation in CCl4-induced liver damageAll rats, poisoned with CCl4 and orally fed with all tested herbs, showed a significant decrease in the mentioned parameters when compared to control (+ve) group. Abbreviations Used: ALT: Alanine transaminase; AST: Aspartate transaminase; ALP: Alkaline phosphatase; ALB: Albumin; BWG%: Body weight gain percentage; CCl4: Carbon tetrachloride; CAT: Catalase; GGT: Gamma-glutamyl transferase; GSH-Px: Glutathione peroxidase; GLOB: Globulin; iNOS: Inducible nitric oxide synthase; MDA: Malondialdehyde; RP: Rumex patientia; SOD: Superoxide dismutase; TP: Total protein; TC: Total cholesterol; TGs: Riglycerides. PMID:28539746

Online model checking approach based parameter estimation to a neuronal fate decision simulation model in Caenorhabditis elegans with hybrid functional Petri net with extension.

PubMed

Li, Chen; Nagasaki, Masao; Koh, Chuan Hock; Miyano, Satoru

2011-05-01

Mathematical modeling and simulation studies are playing an increasingly important role in helping researchers elucidate how living organisms function in cells. In systems biology, researchers typically tune many parameters manually to achieve simulation results that are consistent with biological knowledge. This severely limits the size and complexity of simulation models built. In order to break this limitation, we propose a computational framework to automatically estimate kinetic parameters for a given network structure. We utilized an online (on-the-fly) model checking technique (which saves resources compared to the offline approach), with a quantitative modeling and simulation architecture named hybrid functional Petri net with extension (HFPNe). We demonstrate the applicability of this framework by the analysis of the underlying model for the neuronal cell fate decision model (ASE fate model) in Caenorhabditis elegans. First, we built a quantitative ASE fate model containing 3327 components emulating nine genetic conditions. Then, using our developed efficient online model checker, MIRACH 1.0, together with parameter estimation, we ran 20-million simulation runs, and were able to locate 57 parameter sets for 23 parameters in the model that are consistent with 45 biological rules extracted from published biological articles without much manual intervention. To evaluate the robustness of these 57 parameter sets, we run another 20 million simulation runs using different magnitudes of noise. Our simulation results concluded that among these models, one model is the most reasonable and robust simulation model owing to the high stability against these stochastic noises. Our simulation results provide interesting biological findings which could be used for future wet-lab experiments.

Effect of temperature on series resistance of organic/inorganic semiconductor junction diode

NASA Astrophysics Data System (ADS)

Tripathi, Udbhav; Kaur, Ramneek; Bharti, Shivani

2016-05-01

The paper reports the fabrication and characterization of CuPc/n-Si organic/inorganic semiconductor diode. Copper phthalocyanine, a p-type organic semiconductor layer has been deposited on Si substrate by thermal evaporation technique. The detailed analysis of the forward and reverse bias current-voltage characteristics has been provided. Temperature dependence of the schottky diode parameters has been studied and discussed in the temperature range, 303 K to 353 K. Series resistance of the diode has been determined using Cheung's function method. Series resistance decreases with increase in temperature. The large value of series resistance at low temperature has been explained on the basis of barrier inhomogeneities in the diode.

[Individual typological peculiarities of system blood flow, physical capacity for work and cardiac activity regulation in patients with different resistance to periodontal diseases].

PubMed

Bragin, A V

2008-01-01

From position of typological variability of physiological individuality concept-functional constitution types - the principle of organism integrity was substantiated for stomatological pathology. There were isolated typical and specific reactions of cardiac-vessel system in patients with different resistance to periodontal diseases. Each functional type - patients with different levels of usual motion activity - had their own physiological peculiarities of parameters of system blood flow, physical capacity for work and cardiac activity regulation, that determined individual typological organism reaction in cases of maxillo-facial system pathology. The received data gives the objective base for physiological approach to single out the extreme variants of norm for forming risk contingent and groups of resistant people to periodontal diseases.

A peripheral blood transcriptome biomarker test to diagnose functional recovery potential in advanced heart failure.

PubMed

Deng, Mario C

2018-05-08

Heart failure (HF) is a complex clinical syndrome that causes systemic hypoperfusion and failure to meet the body's metabolic demands. In an attempt to compensate, chronic upregulation of the sympathetic nervous system and renin-angiotensin-aldosterone leads to further myocardial injury, HF progression and reduced O 2 delivery. This triggers progressive organ dysfunction, immune system activation and profound metabolic derangements, creating a milieu similar to other chronic systemic diseases and presenting as advanced HF with severely limited prognosis. We hypothesize that 1-year survival in advanced HF is linked to functional recovery potential (FRP), a novel clinical composite parameter that includes HF severity, secondary organ dysfunction, co-morbidities, frailty, disabilities as well as chronological age and that can be diagnosed by a molecular biomarker.

The solvation of the ground and transition states in the reaction of ortho-palladized acetanilide with styrene in organic solvents

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

Sakodynskaya, I.K.; Neverov, A.A; Ryabov, A.D.

1986-07-01

The rate of the reaction of di-mu-chlorobis(acetanilidato-2C, 0) dipalladium(II) with styrene leading to 2-acetaminostilbene was found in 11 organic solvents. In all media, the reaction has second-order kinetics. The free energy, enthalpy and entropy of activation were determined in each solvent. The data for the solubility of the starting Pd(II) complex were used to determine the free energy for the transfer of the ground state of this reaction from a standard solvent (heptane) to the other solvents. The analogous transfer functions were calculated for the transition state. The correlation of the transfer functions of the starting and transition states ofmore » this reaction with empirical solvent parameters was examined.« less

3D Photonic Crystals Build Up By Self-Organization Of Nanospheres

DTIC Science & Technology

2006-05-23

variance for simple tetragonal Vst , of which general form is defined in Equation (5), could be an important parameter affecting band structure, and it is...plotted along with gap size both as a function of lattice parameter ratio c/a in Figure 2. Apparently, the inverse of variance, i.e. 1/ Vst , shows a...possible. 0.8 1.0 1.2 1.4 1.6 1.8 -2 0 2 4 6 8 10 12 14 16 18 20 22 24 26 gap size (%) 1/ Vst c/a of simple tetragonal g ap s iz e (% ) 0.85 0.86

[Variations of respiratory parameters in healthy men].

PubMed

Shishkin, G S; Ustiuzhaninova, N V

2006-01-01

The subjects of the study were 656 healthy men living in the south of West Siberia, in whom the basic parameters of gas exchange, lung ventilation, static lung volumes, and bronchial permeability were measured. The significance and incidence of non-pathological changes in the system of external respiration were defined on the basis of statistical and cluster analysis of these parameters. The study shows that individuals with functional changes can be divided into four groups with different characteristics: 1. Steady mobilization of the reserve tissue of the respiratory parts of the lungs as a physiological defense reaction to unfavorable ecological factors; 2. An increased airiness of the respiratory tissue as a sign of a compensatory reaction directed towards maintaining gas homeostasis in frequent and prominent overload of the system of external respiration; 3. Steady hyperventilation as a direct functional response of the organism to the slowing down of oxygen mass transfer in the respiratory parts of the lungs; 4. Restriction of external respiration due to respiratory diseases in the past. Despite differences in the origin, all the studied functional changes have one common feature, i.e. their association with a decrease in external respiratory reserve; all of them should be considered pulmonological risk manifestations.

Novel organic semiconductors and dielectric materials for high performance and low-voltage organic thin-film transistors

NASA Astrophysics Data System (ADS)

Yoon, Myung-Han

Two novel classes of organic semiconductors based on perfluoroarene/arene-modified oligothiophenes and perfluoroacyl/acyl-derivatized quaterthiophens are developed. The frontier molecular orbital energies of these compounds are studied by optical spectroscopy and electrochemistry while solid-state/film properties are investigated by thermal analysis, x-ray diffraction, and scanning electron microscopy. Organic thin film transistors (OTFTs) performance parameters are discussed in terms of the interplay between semiconductor molecular energetics and film morphologies/microstructures. For perfluoroarene-thiophene oligomer systems, majority charge carrier type and mobility exhibit a strong correlation with the regiochemistry of perfluoroarene incorporation. In quaterthiophene-based semiconductors, carbonyl-functionalization allows tuning of the majority carrier type from p-type to ambipolar and to n-type. In situ conversion of a p-type semiconducting film to n-type film is also demonstrated. Very thin self-assembled or spin-on organic dielectric films have been integrated into OTFTs to achieve 1 - 2 V operating voltages. These new dielectrics are deposited either by layer-by-layer solution phase deposition of molecular precursors or by spin-coating a mixture of polymer and crosslinker, resulting in smooth and virtually pinhole-free thin films having exceptionally large capacitances (300--700 nF/cm2) and low leakage currents (10 -9 - 10-7 A/cm2). These organic dielectrics are compatible with various vapor- or solution-deposited p- and n-channel organic semiconductors. Furthermore, it is demonstrated that spin-on crosslinked-polymer-blend dielectrics can be employed for large-area/patterned electronics, and complementary inverters. A general approach for probing semiconductor-dielectric interface effects on OTFT performance parameters using bilayer gate dielectrics is presented. Organic semiconductors having p-, n-type, or ambipolar majority charge carriers are grown on six different bilayer dielectrics consisting of various spin-coated polymers/HMDS on 300 nm SiO2/p+-Si, followed by transistor fabrication. In case of air-sensitive n-type semiconductors, dielectric surface modifications induce large variations in the corresponding OTFT performance parameters while film morphologies and microstructures remain unchanged. In contrast, the device performance of air-stable n-type and p-type semiconductors is not significantly affected by dielectric surface modifications. The origin of the mobility sensitivity to the various surface chemistries in the case of air sensitive n-type semiconductors is found to be due to electron trapping by silanol and carbonyl functionalities at the semiconductor-dielectric interface.

Surfactants have multi-fold effects on skin barrier function.

PubMed

Lemery, Emmanuelle; Briançon, Stéphanie; Chevalier, Yves; Oddos, Thierry; Gohier, Annie; Boyron, Olivier; Bolzinger, Marie-Alexandrine

2015-01-01

The stratum corneum (SC) is responsible for the barrier properties of the skin and the role of intercorneocyte skin lipids, particularly their structural organization, in controlling SC permeability is acknowledged. Upon contacting the skin, surfactants interact with the SC components leading to barrier damage. To improve knowledge of the effect of several classes of surfactant on skin barrier function at three different levels. The influence of treatments of human skin explants with six non-ionic and four ionic surfactant solutions on the physicochemical properties of skin was investigated. Skin surface wettability and polarity were assessed through contact angle measurements. Infrared spectroscopy allowed monitoring the SC lipid organization. The lipid extraction potency of surfactants was evaluated thanks to HPLC-ELSD assays. One anionic and one cationic surfactant increased the skin polarity by removing the sebaceous and epidermal lipids and by disturbing the organization of the lipid matrix. Another cationic surfactant displayed a detergency effect without disturbing the skin barrier. Several non-ionic surfactants disturbed the lipid matrix organization and modified the skin wettability without any extraction of the skin lipids. Finally two non-ionic surfactants did not show any effect on the investigated parameters or on the skin barrier. The polarity, the organization of the lipid matrix and the lipid composition of the skin allowed describing finely how surfactants can interact with the skin and disturb the skin barrier function.

Integrated biomarker response in catfish Hypostomus ancistroides by multivariate analysis in the Pirapó River, southern Brazil.

PubMed

Ghisi, Nédia C; Oliveira, Elton C; Mendonça Mota, Thais F; Vanzetto, Guilherme V; Roque, Aliciane A; Godinho, Jayson P; Bettim, Franciele Lima; Silva de Assis, Helena Cristina da; Prioli, Alberto J

2016-10-01

Aquatic pollutants produce multiple consequences in organisms, populations, communities and ecosystems, affecting the function of organs, reproductive state, population size, species survival and even biodiversity. In order to monitor the health of aquatic organisms, biomarkers have been used as effective tools in environmental risk assessment. The aim of this study is to evaluate, through a multivariate and integrative analysis, the response of the native species Hypostomus ancistroides over a pollution gradient in the main water supply body of northwestern Paraná state (Brazil). The condition factor, micronucleus test and erythrocyte nuclear abnormalities (ENA), comet assay, measurement of the cerebral and muscular enzyme acetylcholinesterase (AChE), and histopathological analysis of liver and gill were evaluated in fishes from three sites of the Pirapó River during the dry and rainy seasons. The multivariate general result showed that the interaction between the seasons and the sites was significant: there are variations in the rates of alterations in the biological parameters, depending on the time of year researched at each site. In general, the best results were observed for the site nearest the spring, and alterations in the parameters at the intermediate and downstream sites. In sum, the results of this study showed the necessity of a multivariate analysis, evaluating several biological parameters, to obtain an integrated response to the effects of the environmental pollutants on the organisms. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effect of Organic Dust Exposure on Pulmonary Functions in Workers of Vegetable Market with Special Reference to its Microbial Content.

PubMed

Goel, Arun; Omar, Balram Ji; Kathrotia, Rajesh; Patil, Prashant M; Mittal, Sunita

2018-01-01

Wholesale vegetable market is a rich source of generation of organic dust as loads of fruits and vegetables are loaded and unloaded here daily. Thus, regular workers are exposed to this organic dust for a considerable period of time depending on their work schedule. This study was planned to determine the microbial status of organic dust and to explore its association with pulmonary functions in the workers of wholesale vegetable market in Rishikesh. It was a cross-sectional exploratory/observational study. Thirty-five apparently healthy adult males were selected from vegetable market having no history of any chronic illness. Smokers and alcoholic were excluded from the study. The same number of age- and sex-matched controls with the same exclusion criteria were recruited from workers not working in the vegetable market and also not exposed to any other kinds of organic dust. Microbial culture of air in the vegetable market was done. It was compared with the microbial status of air in the working place of controls. Pulmonary functions of all the workers were performed with the help of digital spirometer (Helios 401). Bacterial and fungal concentration was found to be significantly higher in the air of vegetable market as compared to air in the workplace of controls (such as coagulase-negative staphylococci >25 colony-forming unit (CFU) at incubation temperature vs. 10-12 CFU at incubation temperature, significant growth of Mucor , Aspergillus niger , and Candida nonalbicans in vegetable market as compared to workplace of controls). Pulmonary function parameters (percentage forced expiratory volume in 1 st s (FEV 1 ), percentage predicted forced expiratory flow in mid-half of expiration, and FEV 1 ) of workers exposed to organic dust in vegetable market were also significantly lower ( P < 0.05). Exposure of organic dust is associated with compromised pulmonary functions and there is a need of formulation of safety guidelines.

Solving a combinatorial problem via self-organizing process: an application of the Kohonen algorithm to the traveling salesman problem.

PubMed

Fort, J C

1988-01-01

We present an application of the Kohonen algorithm to the traveling salesman problem: Using only this algorithm, without energy function nor any parameter chosen "ad hoc", we found good suboptimal tours. We give a neural model version of this algorithm, closer to classical neural networks. This is illustrated with various numerical examples.

FIT: statistical modeling tool for transcriptome dynamics under fluctuating field conditions

PubMed Central

Iwayama, Koji; Aisaka, Yuri; Kutsuna, Natsumaro

2017-01-01

Abstract Motivation: Considerable attention has been given to the quantification of environmental effects on organisms. In natural conditions, environmental factors are continuously changing in a complex manner. To reveal the effects of such environmental variations on organisms, transcriptome data in field environments have been collected and analyzed. Nagano et al. proposed a model that describes the relationship between transcriptomic variation and environmental conditions and demonstrated the capability to predict transcriptome variation in rice plants. However, the computational cost of parameter optimization has prevented its wide application. Results: We propose a new statistical model and efficient parameter optimization based on the previous study. We developed and released FIT, an R package that offers functions for parameter optimization and transcriptome prediction. The proposed method achieves comparable or better prediction performance within a shorter computational time than the previous method. The package will facilitate the study of the environmental effects on transcriptomic variation in field conditions. Availability and Implementation: Freely available from CRAN (https://cran.r-project.org/web/packages/FIT/). Contact: anagano@agr.ryukoku.ac.jp Supplementary information: Supplementary data are available at Bioinformatics online PMID:28158396

The influence of the Tribulus terrestris extract on the parameters of the functional preparedness and athletes' organism homeostasis.

PubMed

Milasius, K; Dadeliene, R; Skernevicius, Ju

2009-01-01

The influence of the Tribulus terrestris extract on the parameters of the functional preparadness and athletes' organism homeostase was investigated. It was established the positive impact of dietary supplement "Tribulus" (Optimum Nutrition, U.S.A.) using per 1 capsule 3 times a day during 20 days on athletes' physical power in various energy producing zones: anaerobic alactic muscular power and anaerobic alactic glycolytic power statistically reliable increased. Tribulus terrestris extract, after 20 days of consuming it, did not have essential effect on erythrocytes, haemoglobin and thrombocytes indices. During the experimental period statistically importantly increased percentage of granulocytes and decreased percentage of leucocytes show negative impact of this food supplement on changes of leucocytes formula in athletes' blood. Creatinkinase concentration in athletes' blood statistically importantly has increased and creatinine amount has had a tendency to decline during 20 days period of consuming Tribulus terrestris extract. The declining tendency of urea, cholesterol and bilirubin concentrations has appeared. The concentration of blood testosterone increased statistically reliable during the first half (10 days) of the experiment; it did not grow during the next 10 days while consuming Tribulus still.

An Overview of Seasonal Changes in Oxidative Stress and Antioxidant Defence Parameters in Some Invertebrate and Vertebrate Species.

PubMed

Chainy, Gagan Bihari Nityananda; Paital, Biswaranjan; Dandapat, Jagneswar

2016-01-01

Antioxidant defence system, a highly conserved biochemical mechanism, protects organisms from harmful effects of reactive oxygen species (ROS), a by-product of metabolism. Both invertebrates and vertebrates are unable to modify environmental physical factors such as photoperiod, temperature, salinity, humidity, oxygen content, and food availability as per their requirement. Therefore, they have evolved mechanisms to modulate their metabolic pathways to cope their physiology with changing environmental challenges for survival. Antioxidant defences are one of such biochemical mechanisms. At low concentration, ROS regulates several physiological processes, whereas at higher concentration they are toxic to organisms because they impair cellular functions by oxidizing biomolecules. Seasonal changes in antioxidant defences make species able to maintain their correct ROS titre to take various physiological functions such as hibernation, aestivation, migration, and reproduction against changing environmental physical parameters. In this paper, we have compiled information available in the literature on seasonal variation in antioxidant defence system in various species of invertebrates and vertebrates. The primary objective was to understand the relationship between varied biological phenomena seen in different animal species and conserved antioxidant defence system with respect to seasons.

An Overview of Seasonal Changes in Oxidative Stress and Antioxidant Defence Parameters in Some Invertebrate and Vertebrate Species

PubMed Central

Chainy, Gagan Bihari Nityananda; Paital, Biswaranjan; Dandapat, Jagneswar

2016-01-01

Antioxidant defence system, a highly conserved biochemical mechanism, protects organisms from harmful effects of reactive oxygen species (ROS), a by-product of metabolism. Both invertebrates and vertebrates are unable to modify environmental physical factors such as photoperiod, temperature, salinity, humidity, oxygen content, and food availability as per their requirement. Therefore, they have evolved mechanisms to modulate their metabolic pathways to cope their physiology with changing environmental challenges for survival. Antioxidant defences are one of such biochemical mechanisms. At low concentration, ROS regulates several physiological processes, whereas at higher concentration they are toxic to organisms because they impair cellular functions by oxidizing biomolecules. Seasonal changes in antioxidant defences make species able to maintain their correct ROS titre to take various physiological functions such as hibernation, aestivation, migration, and reproduction against changing environmental physical parameters. In this paper, we have compiled information available in the literature on seasonal variation in antioxidant defence system in various species of invertebrates and vertebrates. The primary objective was to understand the relationship between varied biological phenomena seen in different animal species and conserved antioxidant defence system with respect to seasons. PMID:27127682

Successful outcome of transplant of kidneys recovered from a brain-dead liver transplant recipient: case report.

PubMed

Domagała, Piotr; Kwiatkowski, Artur; Drozdowski, Jakub; Ostrowski, Krzysztof; Wszola, Michal; Diuwe, Piotr; Durlik, Magdalena; Paczek, Leszek; Chmura, Andrzej

2012-12-01

Few reports describing the use of organs donated by transplant recipients have been published. In this case report, kidneys procured from a brain-dead liver recipient were transplanted successfully. A 21-year-old man was referred for liver transplant after an overdose of acetaminophen. The patient's kidney function was initially normal, with proper urine production and normal kidney laboratory parameters. On the third day after admission, the patient's kidney laboratory parameters became elevated and hepatic encephalopathy requiring mechanical ventilation developed. An orthotopic liver transplant was performed the next day. The patient did not recover consciousness, and brain death was diagnosed on the third day after the liver transplant surgery. The maximum serum concentration of creatinine was 5.8 mg/dL (513 μmol/L) before kidney recovery, and urine production was normal. The kidneys were recovered with organ-perfusion support and were preserved by using machine perfusion. The kidneys were transplanted into 2 male recipients. Twelve months after transplant, the recipients remained in good health with satisfactory kidney function. This case demonstrates that transplanting kidneys recovered from liver transplant recipients is possible and beneficial, thus expanding the pool of potential donors.

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

PubMed

van de Streek, Jacco; Neumann, Marcus A

2010-10-01

This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

Enzyme-modified electrolyte-gated organic field-effect transistors

NASA Astrophysics Data System (ADS)

Buth, Felix; Donner, Andreas; Stutzmann, Martin; Garrido, Jose A.

2012-10-01

Organic solution-gated field-effect transistors (SGFETs) can be operated at low voltages in aqueous environments, paving the way to the use of organic semiconductors in bio-sensing applications. However, it has been shown that these devices exhibit only a rather weak sensitivity to standard electrolyte parameters such as pH and ionic strength. In order to increase the sensitivity and to add specificity towards a given analyte, the covalent attachment of functional groups and enzymes to the device surface would be desirable. In this contribution we demonstrate that enzyme modified organic SGFETs can be used for the in-situ detection of penicillin in the low μM regime. In a first step, silane molecules with amine terminal groups are grafted to α-sexithiophene-based thin film transistors. Surface characterization techniques like X-ray photoemission confirm the modification of the surface with these functional groups, which are stable in standard aqueous electrolytes. We show that the presence of surface-bound amphoteric groups (e.g. amino or carboxylic moieties) increases the pH-sensitivity of the organic SGFETs. In addition, these groups serve as anchoring sites for the attachment of the enzyme penicillinase. The resulting enzyme-FETs are used for the detection of penicillin, enabling the study of the influence of the buffer strength and the pH of the electrolyte on the enzyme kinetics. The functionalization of the organic FETs shown here can be extended to a large variety of enzymes, allowing the specific detection of different chemical and biochemical analytes.

Scaffolds and tissue regeneration: An overview of the functional properties of selected organic tissues.

PubMed

Rebelo, Márcia A; Alves, Thais F R; de Lima, Renata; Oliveira, José M; Vila, Marta M D C; Balcão, Victor M; Severino, Patrícia; Chaud, Marco V

2016-10-01

Tissue engineering plays a significant role both in the re-establishment of functions and regeneration of organic tissues. Success in manufacturing projects for biological scaffolds, for the purpose of tissue regeneration, is conditioned by the selection of parameters such as the biomaterial, the device architecture, and the specificities of the cells making up the organic tissue to create, in vivo, a microenvironment that preserves and further enhances the proliferation of a specific cell phenotype. To support this approach, we have screened scientific publications that show biomedical applications of scaffolds, biomechanical, morphological, biochemical, and hemodynamic characteristics of the target organic tissues, and the possible interactions between different cell matrices and biological scaffolds. This review article provides an overview on the biomedical application of scaffolds and on the characteristics of the (bio)materials commonly used for manufacturing these biological devices used in tissue engineering, taking into consideration the cellular specificity of the target tissue. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 1483-1494, 2016. © 2015 Wiley Periodicals, Inc.

A Tool for Parameter-space Explorations

NASA Astrophysics Data System (ADS)

Murase, Yohsuke; Uchitane, Takeshi; Ito, Nobuyasu

A software for managing simulation jobs and results, named "OACIS", is presented. It controls a large number of simulation jobs executed in various remote servers, keeps these results in an organized way, and manages the analyses on these results. The software has a web browser front end, and users can submit various jobs to appropriate remote hosts from a web browser easily. After these jobs are finished, all the result files are automatically downloaded from the computational hosts and stored in a traceable way together with the logs of the date, host, and elapsed time of the jobs. Some visualization functions are also provided so that users can easily grasp the overview of the results distributed in a high-dimensional parameter space. Thus, OACIS is especially beneficial for the complex simulation models having many parameters for which a lot of parameter searches are required. By using API of OACIS, it is easy to write a code that automates parameter selection depending on the previous simulation results. A few examples of the automated parameter selection are also demonstrated.

Exposure to Cooking Fumes and Acute Reversible Decrement in Lung Functional Capacity.

PubMed

Neghab, Masoud; Delikhoon, Mahdieh; Norouzian Baghani, Abbas; Hassanzadeh, Jafar

2017-10-01

Being exposed to cooking fumes, kitchen workers are occupationally at risk of multiple respiratory hazards. No conclusive evidence exists as to whether occupational exposure to these fumes is associated with acute and chronic pulmonary effects and symptoms of respiratory diseases. To quantify the exposure levels and evaluate possible chronic and acute pulmonary effects associated with exposure to cooking fumes. In this cross-sectional study, 60 kitchen workers exposed to cooking fumes and 60 unexposed employees were investigated. The prevalence of respiratory symptoms among these groups was determined through completion of a standard questionnaire. Pulmonary function parameters were also measured before and after participants' work shift. Moreover, air samples were collected and analyzed to quantify their aldehyde, particle, and volatile organic contents. The mean airborne concentrations of formaldehyde, acetaldehyde, and acrolein was 0.45 (SD 0.41), 0.13 (0.1), and 1.56 (0.41) mg/m 3 , respectively. The mean atmospheric concentrations of PM 1 , PM 2.5 , PM 7 , PM 10 , and total volatile organic compounds (TVOCs) was 3.31 (2.6), 12.21 (5.9), 44.16 (16.6), 57 (21.55) μg/m 3 , and 1.31 (1.11) mg/m 3 , respectively. All respiratory symptoms were significantly (p<0.05) more prevalent in exposed group. No significant difference was noted between the pre-shift mean of spirometry parameters of exposed and unexposed group. However, exposed workers showed cross-shift decrease in most spirometry parameters, significantly lower than the pre-shift values and those of the comparison group. Exposure to cooking fumes is associated with a significant increase in the prevalence of respiratory symptoms as well as acute reversible decrease in lung functional capacity.

Performance improvement of microbial fuel cell (MFC) using suitable electrode and Bioengineered organisms: A review

PubMed Central

Choudhury, Payel; Prasad Uday, Uma Shankar; Bandyopadhyay, Tarun Kanti; Ray, Rup Narayan

2017-01-01

ABSTRACT There is an urgent need to find an environment friendly and sustainable technology for alternative energy due to rapid depletion of fossil fuel and industrialization. Microbial Fuel Cells (MFCs) have operational and functional advantages over the current technologies for energy generation from organic matter as it directly converts electricity from substrate at ambient temperature. However, MFCs are still unsuitable for high energy demands due to practical limitations. The overall performance of an MFC depends on microorganism, appropriate electrode materials, suitable MFC designs, and optimizing process parameters which would accelerate commercialization of this technology in near future. In this review, we put forth the recent developments on microorganism and electrode material that are critical for the generation of bioelectricity generation. This would give a comprehensive insight into the characteristics, options, modifications, and evaluations of these parameters and their effects on process development of MFCs. PMID:28453385

[Quantitative Evaluation of Intracardiac Blood Flow by Left Ventricle Dynamic Anatovy Based On Exact Solutions of Non-Stationary Navier-Stocks Equations for Selforganized tornado-Like Flows of Viscous Incompresssible Fluid].

PubMed

Talygin, E A; Zazybo, N A; Zhorzholiany, S T; Krestinich, I M; Mironov, A A; Kiknadze, G I; Bokerya, L A; Gorodkov, A Y; Makarenko, V N; Alexandrova, S A

2016-01-01

New approach to intracardiac blood flow condition analysis based on geometric parameters of left ventricle flow channel has been suggested. Parameters, that used in this method, follow from exact solutions of nonstationary Navier-Stocks equations for selforganized tornado-like flows of viscous incompressible fluid. The main advantage of this method is considering dynamic anatomy of intracardiac cavity and trabeculae relief of left ventricle streamlined surface, both registered in a common mri-process, as flow condition indicator. Calculated quantity options that characterizes blood flow condition can be use as diagnostic criterias for estimation of violation in blood circulation function which entails heart ejection reduction. Developed approach allows to clarify heart jet organization mechanism and estimate the share of the tornado-like flow self-organization in heart ejection structure.

Performance improvement of microbial fuel cell (MFC) using suitable electrode and Bioengineered organisms: A review.

PubMed

Choudhury, Payel; Prasad Uday, Uma Shankar; Bandyopadhyay, Tarun Kanti; Ray, Rup Narayan; Bhunia, Biswanath

2017-09-03

There is an urgent need to find an environment friendly and sustainable technology for alternative energy due to rapid depletion of fossil fuel and industrialization. Microbial Fuel Cells (MFCs) have operational and functional advantages over the current technologies for energy generation from organic matter as it directly converts electricity from substrate at ambient temperature. However, MFCs are still unsuitable for high energy demands due to practical limitations. The overall performance of an MFC depends on microorganism, appropriate electrode materials, suitable MFC designs, and optimizing process parameters which would accelerate commercialization of this technology in near future. In this review, we put forth the recent developments on microorganism and electrode material that are critical for the generation of bioelectricity generation. This would give a comprehensive insight into the characteristics, options, modifications, and evaluations of these parameters and their effects on process development of MFCs.

Symbiotic organism search algorithm for simulation of J- V characteristics and optimizing internal parameters of DSSC developed using electrospun TiO2 nanofibers

NASA Astrophysics Data System (ADS)

Vinoth, S.; Kanimozhi, G.; Kumar, Harish; Srinadhu, E. S.; Satyanarayana, N.

2017-12-01

In the present investigation, the recently developed, simple, robust, and powerful metaheuristic symbiotic organism search (SOS) algorithm was used for simulation of J- V characteristics and optimizing the internal parameters of the dye-sensitized solar cells (DSSCs) fabricated using electrospun 1-D mesoporous TiO2 nanofibers as photoanode. The efficiency ( η = 5.80 %) of the DSSC made up of TiO2 nanofibers as photoanode is found to be ˜ 21.59% higher compared to the efficiency ( η = 4.77 %) of the DSSC made up of TiO2 nanoparticles as photoanode. The observed high efficiency can be attributed to high dye loading as well as high electron transport in the mesoporous 1-D TiO2 nanofibers. Further, the validity and advantage of SOS algorithm are verified by simulating J- V characteristics of DSSC with Lambert-W function.

Dynamics of morphological evolution in experimental Escherichia coli populations.

PubMed

Cui, F; Yuan, B

2016-08-30

Here, we applied a two-stage clonal expansion model of morphological (cell-size) evolution to a long-term evolution experiment with Escherichia coli. Using this model, we derived the incidence function of the appearance of cell-size stability, the waiting time until this morphological stability, and the conditional and unconditional probabilities of morphological stability. After assessing the parameter values, we verified that the calculated waiting time was consistent with the experimental results, demonstrating the effectiveness of the two-stage model. According to the relative contributions of parameters to the incidence function and the waiting time, cell-size evolution is largely determined by the promotion rate, i.e., the clonal expansion rate of selectively advantageous organisms. This rate plays a prominent role in the evolution of cell size in experimental populations, whereas all other evolutionary forces were found to be less influential.

A MATLAB toolbox for the efficient estimation of the psychometric function using the updated maximum-likelihood adaptive procedure.

PubMed

Shen, Yi; Dai, Wei; Richards, Virginia M

2015-03-01

A MATLAB toolbox for the efficient estimation of the threshold, slope, and lapse rate of the psychometric function is described. The toolbox enables the efficient implementation of the updated maximum-likelihood (UML) procedure. The toolbox uses an object-oriented architecture for organizing the experimental variables and computational algorithms, which provides experimenters with flexibility in experimental design and data management. Descriptions of the UML procedure and the UML Toolbox are provided, followed by toolbox use examples. Finally, guidelines and recommendations of parameter configurations are given.

Urinary phthalate metabolites and male reproductive function parameters in Chongqing general population, China.

PubMed

Han, Xue; Cui, Zhihong; Zhou, Niya; Ma, Mingfu; Li, Lianbing; Li, Yafei; Lin, Hui; Ao, Lin; Shu, Weiqun; Liu, Jinyi; Cao, Jia

2014-03-01

This study was designed to investigate the phthalates exposure levels in general population in Chongqing City of China, and to determine the possible associations between phthalate exposure and male reproductive function parameters. We recruited 232 general men through Chongqing Family Planning Research Institute and Reproductive Center of Chongqing. In a single spot urine sample from each man, phthalate metabolites, including mono-butyl phthalate (MBP), mono-ethyl phthalate (MEP), mono-(2-ethylhexyl) phthalate (MEHP), mono-benzyl phthalate (MBzP), phthalic acid (PA), and total PA were analyzed using solid phase extraction and coupled with high-performance liquid chromatography and detection by tandem mass spectrometry. Semen parameters were dichotomized based on World Health Organization reference values. Sperm DNA damage were analyzed using the alkaline single-cell gel electrophoresis assay. Reproductive hormones were determined in serum by the radioimmunoassay kit. We observed a weak association between urinary MBP concentration and sperm concentration in Chongqing general population. MBP levels above the median were 1.97 times (95% confidence interval [CI] 0.97-4.04) more likely to have sperm concentration below the reference value. There were no other associations between phthalate metabolites and reproductive function parameters after adjusted for potential risk factors. Our study suggested that general population in Chongqing area of China exposure to the environmental level of phthalate have weak or without adverse effects on the reproduction. Copyright © 2013 Elsevier GmbH. All rights reserved.

Evaluating oxidation-reduction properties of dissolved organic matter from Chinese milk vetch (Astragalus sinicus L.): a comprehensive multi-parametric study.

PubMed

Liu, Yong; Lou, Jun; Li, Fang-Bai; Xu, Jian-Ming; Yu, Xiong-Sheng; Zhu, Li-An; Wang, Feng

2014-08-01

Green manuring is a common practice in replenishment of soil organic matter and nutrients in rice paddy field. Owing to the complex interplay of multiple factors, the oxidation--reduction (redox) properties of dissolved organic matter (DOM) from green manure crops are presently not fully understood. In this study, a variety of surrogate parameters were used to evaluate the redox capacity and redox state of DOM derived from Chinese milk vetch (CMV, Astragalus sinicus L.) via microbial decomposition under continuously flooded (CF) and non-flooded (NF) conditions. Additionally, the correlation between the surrogate parameters of CMV-DOM and the kinetic parameters of relevant redox reactions was evaluated in a soil-water system containing CMV-DOM. Results showed that the redox properties of CMV-DOM were substantially different between the fresh and decomposed CMV-DOM treatments. Determination of the surrogate parameters via ultraviolet-visible/Fourier transform infrared absorption spectroscopy and gel permeation chromatography generally provided high-quality data for predicting the redox capacity of CMV-DOM, while the surrogate parameters determined by elemental analysis were suitable for predicting the redox state of CMV-DOM. Depending on the redox capacity and redox state of various moieties/components, NF-decomposed CMV-DOM could easily accelerate soil reduction by shuttling electrons to iron oxides, because it contained more reversible redox-active functional groups (e.g. quinone and hydroquinone pairs) than CF-decomposed CMV-DOM. This work demonstrates that a single index cannot interpret complex changes in multiple factors that jointly determine the redox reactivity of CMV-DOM. Thus, a multi-parametric study is needed for providing comprehensive information on the redox properties of green manure DOM.

Electronegativity equalization method: parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme.

PubMed

Jirousková, Zuzana; Vareková, Radka Svobodová; Vanek, Jakub; Koca, Jaroslav

2009-05-01

The electronegativity equalization method (EEM) was developed by Mortier et al. as a semiempirical method based on the density-functional theory. After parameterization, in which EEM parameters A(i), B(i), and adjusting factor kappa are obtained, this approach can be used for calculation of average electronegativity and charge distribution in a molecule. The aim of this work is to perform the EEM parameterization using the Merz-Kollman-Singh (MK) charge distribution scheme obtained from B3LYP/6-31G* and HF/6-31G* calculations. To achieve this goal, we selected a set of 380 organic molecules from the Cambridge Structural Database (CSD) and used the methodology, which was recently successfully applied to EEM parameterization to calculate the HF/STO-3G Mulliken charges on large sets of molecules. In the case of B3LYP/6-31G* MK charges, we have improved the EEM parameters for already parameterized elements, specifically C, H, N, O, and F. Moreover, EEM parameters for S, Br, Cl, and Zn, which have not as yet been parameterized for this level of theory and basis set, we also developed. In the case of HF/6-31G* MK charges, we have developed the EEM parameters for C, H, N, O, S, Br, Cl, F, and Zn that have not been parameterized for this level of theory and basis set so far. The obtained EEM parameters were verified by a previously developed validation procedure and used for the charge calculation on a different set of 116 organic molecules from the CSD. The calculated EEM charges are in a very good agreement with the quantum mechanically obtained ab initio charges. 2008 Wiley Periodicals, Inc.

A humidity sensing organic-inorganic composite for environmental monitoring.

PubMed

Ahmad, Zubair; Zafar, Qayyum; Sulaiman, Khaulah; Akram, Rizwan; Karimov, Khasan S

2013-03-14

In this paper, we present the effect of varying humidity levels on the electrical parameters and the multi frequency response of the electrical parameters of an organic-inorganic composite (PEPC+NiPc+Cu2O)-based humidity sensor. Silver thin films (thickness ~200 nm) were primarily deposited on plasma cleaned glass substrates by the physical vapor deposition (PVD) technique. A pair of rectangular silver electrodes was formed by patterning silver film through standard optical lithography technique. An active layer of organic-inorganic composite for humidity sensing was later spun coated to cover the separation between the silver electrodes. The electrical characterization of the sensor was performed as a function of relative humidity levels and frequency of the AC input signal. The sensor showed reversible changes in its capacitance with variations in humidity level. The maximum sensitivity ~31.6 pF/%RH at 100 Hz in capacitive mode of operation has been attained. The aim of this study was to increase the sensitivity of the previously reported humidity sensors using PEPC and NiPc, which has been successfully achieved.

A Humidity Sensing Organic-Inorganic Composite for Environmental Monitoring

PubMed Central

Ahmad, Zubair; Zafar, Qayyum; Sulaiman, Khaulah; Akram, Rizwan; Karimov, Khasan S.

2013-01-01

In this paper, we present the effect of varying humidity levels on the electrical parameters and the multi frequency response of the electrical parameters of an organic-inorganic composite (PEPC+NiPc+Cu2O)-based humidity sensor. Silver thin films (thickness ∼200 nm) were primarily deposited on plasma cleaned glass substrates by the physical vapor deposition (PVD) technique. A pair of rectangular silver electrodes was formed by patterning silver film through standard optical lithography technique. An active layer of organic-inorganic composite for humidity sensing was later spun coated to cover the separation between the silver electrodes. The electrical characterization of the sensor was performed as a function of relative humidity levels and frequency of the AC input signal. The sensor showed reversible changes in its capacitance with variations in humidity level. The maximum sensitivity ∼31.6 pF/%RH at 100 Hz in capacitive mode of operation has been attained. The aim of this study was to increase the sensitivity of the previously reported humidity sensors using PEPC and NiPc, which has been successfully achieved. PMID:23493124

Surface Chemistry and Nano-/Microstructure Engineering on Photocatalytic In2S3 Nanocrystals.

PubMed

Berestok, Taisiia; Guardia, Pablo; Portals, Javier Blanco; Estradé, Sònia; Llorca, Jordi; Peiró, Francesca; Cabot, Andreu; Brock, Stephanie L

2018-06-05

Colloidal nanocrystals (NCs) compete with molecular catalysts in the field of homogenous catalysis, offering easier recyclability and a number of potentially advantageous functionalities, such as tunable band gaps, plasmonic properties, or a magnetic moment. Using high-throughput printing technologies, colloidal NCs can also be supported onto substrates to produce cost-effective electronic, optoelectronic, electrocatalytic, and sensing devices. For both catalytic and technological application, NC surface chemistry and supracrystal organization are key parameters determining final performance. Here, we study the influence of the surface ligands and the NC organization on the catalytic properties of In 2 S 3 , both as a colloid and as a supported layer. As a colloid, NCs stabilized by inorganic ligands show the highest photocatalytic activities, which we associate with their large and more accessible surfaces. On the other hand, when NCs are supported on a substrate, their organization becomes an essential parameter determining performance. For instance, NC-based films produced through a gelation process provided five-fold higher photocurrent densities than those obtained from dense films produced by the direct printing of NCs.

A 90-Day Feeding Study in Rats to Assess the Safety of Genetically Engineered Pork.

PubMed

Xiao, Gao-Jun; Jiang, Sheng-Wang; Qian, Li-Li; Cai, Chun-Bo; Wang, Qing-Qing; Ma, De-Zun; Li, Biao; Xie, Shan-Shan; Cui, Wen-Tao; Li, Kui

2016-01-01

Our laboratory recently produced genetically engineered (GE) Meishan pigs containing a ZFN-edited myostatin loss-of-function mutant. These GE pigs develop and grow as normal as wild type pigs but produce pork with greater lean yield and lower fat mass. To assess any potential subchronic toxicity risks of this GE pork, a 90-day feeding study was conducted in Sprague-Dawley rats. Rats were randomly divided into five groups, and fed for 90 days with basic diet and basic diets formulated with low dose and high dose pork prepared from wild type pigs and GE pigs, respectively. Animal behaviors and clinical signs were monitored twice daily, and body weight and food consumption were measured and recorded weekly. At days 45 and 90, blood tests (lipid panel, electrolytes, parameters related to liver and kidney functions, and complete blood counts) were performed. Additionally, gross pathology and histopathological analyses were performed for major organs in each group. Data analysis shows that there were no significant differences in growth rate, food consumption, and blood test parameters between rat groups fed with GE pork and wild type pork. Although differences in some liver function parameters (such as aspartate aminotransferase, total proteins, albumin, and alkaline phosphatase) and white blood cell counts (such as lymphocyte percentage and monocyte percentage) were observed between rats fed with high dose GE pork and basic diet, all test results in rats fed with GE pork are in the normal range. Additionally, there are no apparent lesions noted in all organs isolated from rats in all five feeding groups on days 45 and 90. Overall, our results clearly indicate that food consumption of GE pork produced by ZFN-edited myostatin loss-of-function mutant pigs did not have any long-term adverse effects on the health status in rats.

A 90-Day Feeding Study in Rats to Assess the Safety of Genetically Engineered Pork

PubMed Central

Xiao, Gao-jun; Jiang, Sheng-Wang; Qian, Li-Li; Cai, Chun-Bo; Wang, Qing-qing; Ma, De-Zun; Li, Biao; Xie, Shan-shan; Cui, Wen-Tao; Li, Kui

2016-01-01

Our laboratory recently produced genetically engineered (GE) Meishan pigs containing a ZFN-edited myostatin loss-of-function mutant. These GE pigs develop and grow as normal as wild type pigs but produce pork with greater lean yield and lower fat mass. To assess any potential subchronic toxicity risks of this GE pork, a 90-day feeding study was conducted in Sprague-Dawley rats. Rats were randomly divided into five groups, and fed for 90 days with basic diet and basic diets formulated with low dose and high dose pork prepared from wild type pigs and GE pigs, respectively. Animal behaviors and clinical signs were monitored twice daily, and body weight and food consumption were measured and recorded weekly. At days 45 and 90, blood tests (lipid panel, electrolytes, parameters related to liver and kidney functions, and complete blood counts) were performed. Additionally, gross pathology and histopathological analyses were performed for major organs in each group. Data analysis shows that there were no significant differences in growth rate, food consumption, and blood test parameters between rat groups fed with GE pork and wild type pork. Although differences in some liver function parameters (such as aspartate aminotransferase, total proteins, albumin, and alkaline phosphatase) and white blood cell counts (such as lymphocyte percentage and monocyte percentage) were observed between rats fed with high dose GE pork and basic diet, all test results in rats fed with GE pork are in the normal range. Additionally, there are no apparent lesions noted in all organs isolated from rats in all five feeding groups on days 45 and 90. Overall, our results clearly indicate that food consumption of GE pork produced by ZFN-edited myostatin loss-of-function mutant pigs did not have any long-term adverse effects on the health status in rats. PMID:27812153

A developmental basis for stochasticity in floral organ numbers

PubMed Central

Kitazawa, Miho S.; Fujimoto, Koichi

2014-01-01

Stochasticity ubiquitously inevitably appears at all levels from molecular traits to multicellular, morphological traits. Intrinsic stochasticity in biochemical reactions underlies the typical intercellular distributions of chemical concentrations, e.g., morphogen gradients, which can give rise to stochastic morphogenesis. While the universal statistics and mechanisms underlying the stochasticity at the biochemical level have been widely analyzed, those at the morphological level have not. Such morphological stochasticity is found in foral organ numbers. Although the floral organ number is a hallmark of floral species, it can distribute stochastically even within an individual plant. The probability distribution of the floral organ number within a population is usually asymmetric, i.e., it is more likely to increase rather than decrease from the modal value, or vice versa. We combined field observations, statistical analysis, and mathematical modeling to study the developmental basis of the variation in floral organ numbers among 50 species mainly from Ranunculaceae and several other families from core eudicots. We compared six hypothetical mechanisms and found that a modified error function reproduced much of the asymmetric variation found in eudicot floral organ numbers. The error function is derived from mathematical modeling of floral organ positioning, and its parameters represent measurable distances in the floral bud morphologies. The model predicts two developmental sources of the organ-number distributions: stochastic shifts in the expression boundaries of homeotic genes and a semi-concentric (whorled-type) organ arrangement. Other models species- or organ-specifically reproduced different types of distributions that reflect different developmental processes. The organ-number variation could be an indicator of stochasticity in organ fate determination and organ positioning. PMID:25404932

Reliability and Validity of the Turkish Version of the Consensus Auditory-Perceptual Evaluation of Voice (CAPE-V).

PubMed

Özcebe, Esra; Aydinli, Fatma Esen; Tiğrak, Tuğçe Karahan; İncebay, Önal; Yilmaz, Taner

2018-01-11

The main purpose of this study was to culturally adapt the Consensus Auditory-Perceptual Evaluation of Voice (CAPE-V) to Turkish and to evaluate its internal consistency, validity, and reliability. The Turkish version of CAPE-V was developed, and with the use of a prospective case-control design, the voice recordings of 130 participants were collected according to CAPE-V protocol. Auditory-perceptual evaluation was conducted according to CAPE-V and Grade, Roughness, Breathiness, Asthenia, and Strain (GRBAS) scale by two ear, nose, and throat specialists and two speech and language therapists. The different types of voice disorders, classified as organic and functional disorders, were compared in terms of their CAPE-V scores. The overall severity parameter had the highest intrarater and inter-reliability values for all the participants. For all four raters, the differences in the six CAPE-V parameters between the study and the control groups were found to be statistically significant. Among the correlations for the comparable parameters of the CAPE-V and the GRBAS scales, the highest correlation was found between the overall severity-grade parameters. There was no difference found between the organic and functional voice disorders in terms of the CAPE-V scores. The Turkish version of CAPE-V has been proven to be a reliable and valid instrument to use in the auditory-perceptual evaluation of voice. For the future application of this study, it would be important to investigate whether cepstral measures correlate with the auditory-perceptual judgments of dysphonia severity collected by a Turkish version of the CAPE-V. Copyright © 2017 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Functional biodiversity of marine soft-sediment polychaetes from two Mediterranean coastal areas in relation to environmental stress.

PubMed

Nasi, F; Nordström, M C; Bonsdorff, E; Auriemma, R; Cibic, T; Del Negro, P

2018-06-01

Biological Traits Analysis (BTA) was used to identify functional features of infaunal polychaete assemblages associated with contamination in two Italian coastal areas: the harbour of Trieste (Adriatic Sea) and the Mar Piccolo of Taranto (Ionian Sea). The analysis was performed on 103 taxa, collected at four stations in each area. The two areas differed in species composition. The low diversity and the presence of stress-tolerant species in more polluted sites were not reflected in functional diversity, due to species contributing little to community functions or being functionally redundant. Sand and clay fractions were significant drivers of trait category expressions, however other environmental parameters (depth, total organic carbon and nitrogen, and Hg in sediments) influenced traits composition. Motile was the prevalent trait in environments with coarse sediments, and tube-builder were related to fine-grained ones. Motile, endobenthic and burrower were essential traits for living in contaminated sediments. Epibenthic and sessile polychaetes dominated at stations subjected to high organic loads. BTA offers an integrative approach to detect functional adaptations to contaminated sediments and multiple anthropogenic stressors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Hybrid Modeling of Cell Signaling and Transcriptional Reprogramming and Its Application in C. elegans Development.

PubMed

Fertig, Elana J; Danilova, Ludmila V; Favorov, Alexander V; Ochs, Michael F

2011-01-01

Modeling of signal driven transcriptional reprogramming is critical for understanding of organism development, human disease, and cell biology. Many current modeling techniques discount key features of the biological sub-systems when modeling multiscale, organism-level processes. We present a mechanistic hybrid model, GESSA, which integrates a novel pooled probabilistic Boolean network model of cell signaling and a stochastic simulation of transcription and translation responding to a diffusion model of extracellular signals. We apply the model to simulate the well studied cell fate decision process of the vulval precursor cells (VPCs) in C. elegans, using experimentally derived rate constants wherever possible and shared parameters to avoid overfitting. We demonstrate that GESSA recovers (1) the effects of varying scaffold protein concentration on signal strength, (2) amplification of signals in expression, (3) the relative external ligand concentration in a known geometry, and (4) feedback in biochemical networks. We demonstrate that setting model parameters based on wild-type and LIN-12 loss-of-function mutants in C. elegans leads to correct prediction of a wide variety of mutants including partial penetrance of phenotypes. Moreover, the model is relatively insensitive to parameters, retaining the wild-type phenotype for a wide range of cell signaling rate parameters.

A more randomly organized grey matter network is associated with deteriorating language and global cognition in individuals with subjective cognitive decline.

PubMed

Verfaillie, Sander C J; Slot, Rosalinde E R; Dicks, Ellen; Prins, Niels D; Overbeek, Jozefien M; Teunissen, Charlotte E; Scheltens, Philip; Barkhof, Frederik; van der Flier, Wiesje M; Tijms, Betty M

2018-03-30

Grey matter network disruptions in Alzheimer's disease (AD) are associated with worse cognitive impairment cross-sectionally. Our aim was to investigate whether indications of a more random network organization are associated with longitudinal decline in specific cognitive functions in individuals with subjective cognitive decline (SCD). We included 231 individuals with SCD who had annually repeated neuropsychological assessment (3 ± 1 years; n = 646 neuropsychological investigations) available from the Amsterdam Dementia Cohort (54% male, age: 63 ± 9, MMSE: 28 ± 2). Single-subject grey matter networks were extracted from baseline 3D-T1 MRI scans and we computed basic network (size, degree, connectivity density) and higher-order (path length, clustering, betweenness centrality, normalized path length [lambda] and normalized clustering [gamma]) parameters at whole brain and/or regional levels. We tested associations of network parameters with baseline and annual cognition (memory, attention, executive functioning, language composite scores, and global cognition [all domains with MMSE]) using linear mixed models, adjusted for age, sex, education, scanner and total gray matter volume. Lower network size was associated with steeper decline in language (β ± SE = 0.12 ± 0.05, p < 0.05FDR). Higher-order network parameters showed no cross-sectional associations. Lower gamma and lambda values were associated with steeper decline in global cognition (gamma: β ± SE = 0.06 ± 0.02); lambda: β ± SE = 0.06 ± 0.02), language (gamma: β ± SE = 0.11 ± 0.04; lambda: β ± SE = 0.12 ± 0.05; all p < 0.05FDR). Lower path length values in precuneus and fronto-temporo-occipital cortices were associated with a steeper decline in global cognition. A more randomly organized grey matter network was associated with a steeper decline of cognitive functioning, possibly indicating the start of cognitive impairment. © 2018 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc.

Citrus peel polymethoxylated flavones extract modulates liver and heart function parameters in diet induced hypercholesterolemic rats.

PubMed

Green, Curtis O; Wheatley, Andrew O; McGrowder, Donovan A; Dilworth, Lowell L; Asemota, Helen N

2013-01-01

The primary aim of this study was to investigate the effects of Ortanique peel polymethoxylated flavones extract (PMF(ort)) on organ function parameters in the serum of hypercholesterolemic and normal rats. Thirty Sprague-Dawley rats were fed high cholesterol diets supplemented with 1.5% PMF(ort) and niacin respectively for 49days. Hypercholesterolemic rats fed PMF(ort) had significant reductions in the activities of aspartate aminotransferase and alkaline phosphatase (69.12±3.34 and 87.22±8.42U/L respectively) compared to the untreated hypercholesterolemic group (118.61±4.85 and 132.62±10.62U/L respectively, p<0.05). Supplementation of the diet with niacin or PMF(ort) resulted in no significant differences in the serum levels of creatinine or urea in any of the groups. Total bilirubin was highest in the untreated hypercholesterolemic group. Supplementation of the diets of hypercholesterolemic rats with PMF(ort) resulted in significant reductions in the activities of serum creatine kinase and lactate dehydrogenase (119.3±25.3; 222.5±50.3U/L, p<0.05) respectively relative to the untreated hypercholesterolemic group (257.2±48.3; 648.8±103U/L, p<0.05). The results would suggest that PMF(ort) modulates hypercholesterolemia-associated organ injury in rats. PMF(ort) could therefore be a suitable candidate for prophylactic and therapeutic treatment of hypercholesterolemia-associated organ injury. Copyright © 2012 Elsevier Ltd. All rights reserved.

Molecular design and theoretical characterization of benzodithiophene based organic photovoltaic materials

NASA Astrophysics Data System (ADS)

Bhattacharya, Labanya; Sahu, Sridhar

2018-05-01

Two different oligomers, containing methyl substituted Benzodithiophene (BDT) as donor unit, fluorinated thiophene as the π-bridge unit and two different kinds of acceptors based on fluorinated benzothiadiazole, fluorinated benzoselenadiazole units are designed for bulk heterojunction (BHJ) organic solar cell (OSC). The ground and excited state properties of those donor-π-acceptor-π-donor (D-π-A-π-D) oligomeric configurations are characterized via density functional (DFT) and time dependent density functional theory (TD-DFT). The parameters such as dipole moment (ρ), chemical potential (µ), electronegativity (χ), frontier molecular orbital (FMO) analysis, HOMO-LUMO gap, open circuit voltage (Voc) and driving force (ΔE) are calculated to analyze geometrical, electronic structural, quantum chemical and photovoltaic properties of the compounds. In addition, optical absorption spectra are also presented for the optical characterization of the compounds.

[The perfection of biology and discrepancies of humoral regulation non-surmounted in phylogenesis. The unified algorithm of pathogenesis of metabolic "pandemics" as diseases of civilization].

PubMed

Titov, V N

2014-08-01

The striving to biological perfection became apparent under becoming of each out of seven biological functions at the consequent stages of phylogenesis: at cellular autocrine level; in paracrin regulated functional cenosis of cells, organs; at the organism level. However, regulative interaction simultaneously on all levels in vivo results in functional incoordination. There are no reasons to name them contradictions. They are targeted to development of organism; they are formed on different levels of regulation and sometimes are not comparable in full measure; incoordinations of regulation are never outdone. The striving of biology to perfection resulted in incoordinations becoming less apparent in conditions of physiological level of physical chemical parameters and concentrations of biochemical analytes staying within strict standard limits. The physiological values "are backed up" from below by realization of biological function of homeostasis. The upper level "is limited" by biological function of endoecology--leanliness of intercellular medium. The incoordinations of humoral and nervous regulation are manifested under impact of unfavorable factors of environment on organism. At that, regulatory incoordinations developed at distantly spaced degrees of phylogenesis came out as pathogenic factors of "metabolic pandemics"--civilization diseases. Ifdisease ofn oninfectious etiology is propagated in population with rate of 5 - 7% its pathogenesis is based on disorder ofb iologicalf unctions and biological reactions, meaning those impacts of environment that Homo sapiens didn't learn to match in phylogenesis. The strict normalization of biological functions and biological reactions can be the only pathogenetically and effective prevention and treatment of this pathology. The application ofp harmaceuticals is the foundation ofs ymptomatic therapy only.

[Dextrals and sinistrals (right-handers and left-handers): specificity of interhemispheric brain asymmetry and EEG coherence parameters].

PubMed

Zhavoronkova, L A

2007-01-01

Data of literature about morphological, functional and biochemical specificity of the brain interhemispheric asymmetry of healthy right-handers and left-handers and about peculiarity of dynamics of cerebral pathology in patients with different individual asymmetry profiles are presented at the present article. Results of our investigation by using coherence parameters of electroencephalogram (EEG) in healthy right-handers and left-handers in state of rest, during functional tests and sleeping and in patients with different forms of the brain organic damage were analyzed too. EEG coherence analysis revealed the reciprocal changing of alpha-beta and theta-delta spectral bands in right-handers whilein left-handers synchronous changing of all EEG spectral bands were observed. Data about regional-frequent specificity of EEG coherence, peculiarity of EEG asymmetry in right-handers and left-handers, aslo about specificity of EEG spectral band genesis and point of view about a role of the brain regulator systems in forming of interhemispheric asymmetry in different functional states allowed to propose the conception about principle of interhermispheric brain asymmetry formation in left-handers and left-handers. Following this conception in dextrals elements of concurrent (summary-reciprocal) cooperation are predominant at the character of interhemispheric and cortical-subcortical interaction while in sinistrals a principle of concordance (supplementary) is preferable. These peculiarities the brain organization determine, from the first side, the quicker revovery of functions damaged after cranio-cerebral trauma in left-handers in comparison right-handers and from the other side - they determine the forming of the more expressed pathology in the remote terms after exposure the low dose of radiation.

Metal mixture modeling evaluation project: 2. Comparison of four modeling approaches.

PubMed

Farley, Kevin J; Meyer, Joseph S; Balistrieri, Laurie S; De Schamphelaere, Karel A C; Iwasaki, Yuichi; Janssen, Colin R; Kamo, Masashi; Lofts, Stephen; Mebane, Christopher A; Naito, Wataru; Ryan, Adam C; Santore, Robert C; Tipping, Edward

2015-04-01

As part of the Metal Mixture Modeling Evaluation (MMME) project, models were developed by the National Institute of Advanced Industrial Science and Technology (Japan), the US Geological Survey (USA), HDR|HydroQual (USA), and the Centre for Ecology and Hydrology (United Kingdom) to address the effects of metal mixtures on biological responses of aquatic organisms. A comparison of the 4 models, as they were presented at the MMME workshop in Brussels, Belgium (May 2012), is provided in the present study. Overall, the models were found to be similar in structure (free ion activities computed by the Windermere humic aqueous model [WHAM]; specific or nonspecific binding of metals/cations in or on the organism; specification of metal potency factors or toxicity response functions to relate metal accumulation to biological response). Major differences in modeling approaches are attributed to various modeling assumptions (e.g., single vs multiple types of binding sites on the organism) and specific calibration strategies that affected the selection of model parameters. The models provided a reasonable description of additive (or nearly additive) toxicity for a number of individual toxicity test results. Less-than-additive toxicity was more difficult to describe with the available models. Because of limitations in the available datasets and the strong interrelationships among the model parameters (binding constants, potency factors, toxicity response parameters), further evaluation of specific model assumptions and calibration strategies is needed. © 2014 SETAC.

Dynamic modeling the composting process of the mixture of poultry manure and wheat straw.

PubMed

Petric, Ivan; Mustafić, Nesib

2015-09-15

Due to lack of understanding of the complex nature of the composting process, there is a need to provide a valuable tool that can help to improve the prediction of the process performance but also its optimization. Therefore, the main objective of this study is to develop a comprehensive mathematical model of the composting process based on microbial kinetics. The model incorporates two different microbial populations that metabolize the organic matter in two different substrates. The model was validated by comparison of the model and experimental data obtained from the composting process of the mixture of poultry manure and wheat straw. Comparison of simulation results and experimental data for five dynamic state variables (organic matter conversion, oxygen concentration, carbon dioxide concentration, substrate temperature and moisture content) showed that the model has very good predictions of the process performance. According to simulation results, the optimum values for air flow rate and ambient air temperature are 0.43 l min(-1) kg(-1)OM and 28 °C, respectively. On the basis of sensitivity analysis, the maximum organic matter conversion is the most sensitive among the three objective functions. Among the twelve examined parameters, μmax,1 is the most influencing parameter and X1 is the least influencing parameter. Copyright © 2015 Elsevier Ltd. All rights reserved.

Metal Mixture Modeling Evaluation project: 2. Comparison of four modeling approaches

USGS Publications Warehouse

Farley, Kevin J.; Meyer, Joe; Balistrieri, Laurie S.; DeSchamphelaere, Karl; Iwasaki, Yuichi; Janssen, Colin; Kamo, Masashi; Lofts, Steve; Mebane, Christopher A.; Naito, Wataru; Ryan, Adam C.; Santore, Robert C.; Tipping, Edward

2015-01-01

As part of the Metal Mixture Modeling Evaluation (MMME) project, models were developed by the National Institute of Advanced Industrial Science and Technology (Japan), the U.S. Geological Survey (USA), HDR⎪HydroQual, Inc. (USA), and the Centre for Ecology and Hydrology (UK) to address the effects of metal mixtures on biological responses of aquatic organisms. A comparison of the 4 models, as they were presented at the MMME Workshop in Brussels, Belgium (May 2012), is provided herein. Overall, the models were found to be similar in structure (free ion activities computed by WHAM; specific or non-specific binding of metals/cations in or on the organism; specification of metal potency factors and/or toxicity response functions to relate metal accumulation to biological response). Major differences in modeling approaches are attributed to various modeling assumptions (e.g., single versus multiple types of binding site on the organism) and specific calibration strategies that affected the selection of model parameters. The models provided a reasonable description of additive (or nearly additive) toxicity for a number of individual toxicity test results. Less-than-additive toxicity was more difficult to describe with the available models. Because of limitations in the available datasets and the strong inter-relationships among the model parameters (log KM values, potency factors, toxicity response parameters), further evaluation of specific model assumptions and calibration strategies is needed.

EGFR ligands exert diverging effects on male reproductive organs.

PubMed

Schneider, Marlon R; Gratao, Ana A; Dahlhoff, Maik; Boersma, Auke; Hrabé de Angelis, Martin; Hoang-Vu, Cuong; Wolf, Eckhard; Klonisch, Thomas

2010-02-01

While the EGFR and most of its ligands are expressed in the male reproductive tract, their functions in male reproduction are poorly understood. Interestingly, male transgenic mice overexpressing EGF are sterile, and transgenic mice overexpressing TGFA, another EGFR ligand, show an enlarged coagulation gland (anterior prostate) due to severe hyperplasia with focal dysplasia. We studied the male reproductive tract of transgenic mice overexpressing betacellulin (BTC-tg) under the control of a promoter conferring widespread transgene expression. Despite strong overexpression of BTC in different parts of the male reproductive tract, the gross appearance and histology of the reproductive organs of BTC-tg males were normal and the same were true for sperm parameters and the in vitro fertilization rate. Collectively, our findings demonstrate that excess of BTC exerts no deleterious effects on the structure or function of the male reproductive tract in mice and indicates unique, non-overlapping functions of specific EGFR ligands in male reproduction. Copyright 2009 Elsevier Inc. All rights reserved.

Evaluation of Encapsulated Liver Cell Spheroids in a Fluidised-Bed Bioartificial Liver for Treatment of Ischaemic Acute Liver Failure in Pigs in a Translational Setting

PubMed Central

Selden, Clare; Spearman, Catherine Wendy; Kahn, Delawir; Miller, Malcolm; Figaji, Anthony; Erro, Eloy; Bundy, James; Massie, Isobel; Chalmers, Sherri-Ann; Arendse, Hiram; Gautier, Aude; Sharratt, Peter; Fuller, Barry; Hodgson, Humphrey

2013-01-01

Liver failure is an increasing problem. Donor-organ shortage results in patients dying before receiving a transplant. Since the liver can regenerate, alternative therapies providing temporary liver-support are sought. A bioartificial-liver would temporarily substitute function in liver failure buying time for liver regeneration/organ-procurement. Our aim: to develop a prototype bioartificial-liver-machine (BAL) comprising a human liver-derived cell-line, cultured to phenotypic competence and deliverable in a clinical setting to sites distant from its preparation. The objective of this study was to determine whether its use would improve functional parameters of liver failure in pigs with acute liver failure, to provide proof-of-principle. HepG2cells encapsulated in alginate-beads, proliferated in a fluidised-bed-bioreactor providing a biomass of 4–6×1010cells, were transported from preparation-laboratory to point-of-use operating theatre (6000miles) under perfluorodecalin at ambient temperature. Irreversible ischaemic liver failure was induced in anaesthetised pigs, after portal-systemic-shunt, by hepatic-artery-ligation. Biochemical parameters, intracranial pressure, and functional-clotting were measured in animals connected in an extracorporeal bioartificial-liver circuit. Efficacy was demonstrated comparing outcomes between animals connected to a circuit containing alginate-encapsulated cells (Cell-bead BAL), and those connected to circuit containing alginate capsules without cells (Empty-bead BAL). Cells of the biomass met regulatory standards for sterility and provenance. All animals developed progressive liver-failure after ischaemia induction. Efficacy of BAL was demonstrated since animals connected to a functional biomass (+ cells) had significantly smaller rises in intracranial pressure, lower ammonia levels, more bilirubin conjugation, improved acidosis and clotting restoration compared to animals connected to the circuit without cells. In the +cell group, human proteins accumulated in pigs' plasma. Delivery of biomass using a short-term cold-chain enabled transport and use without loss of function over 3days. Thus, a fluidised-bed bioreactor containing alginate-encapsulated HepG2cell-spheroids improved important parameters of acute liver failure in pigs. The system can readily be up-scaled and transported to point-of-use justifying development at clinical scale. PMID:24367515

THE FLICKER RESPONSE CONTOURS FOR GENETICALLY RELATED FISHES. II

PubMed Central

Crozier, W. J.; Wolf, Ernst

1939-01-01

The flicker response contour has been determined for several species and types of the teleosts Xiphophorus (X.) and Platypoecilius (P.) under the same conditions. The curve (F vs. log Im) is the same for representatives of each generic type, but is different for the two genera. Its duplex nature is analyzable in each instance by application of the probability integral equation to the rod and cone constituent parts. The parameters of this function provide rational measures of invariant properties of the curves, which have specific values according to the genetic constitution of the animal. The F 1 hybrids (H'') of X. montezuma x P. variatus show dominance of the X. properties with respect to cone Fmax. and σ' log I, but an intermediate value of the abscissa of inflection (τ'). The rod segment shows dominance of σ' log I from P., but an intermediate value of Fmax. and of τ'. The composite flicker curve involves the operation of two distinct assemblages of excitable elements, differing quantitatively but not qualitatively in physicochemical organization, probably only secondarily related to the histological differentiation of rods and cones because almost certainly of central nervous locus, but following different rules in hereditary determination, and therefore necessarily different in physical organization. The interpretation of the diverse behavior of the three parameters of the probability summation is discussed, particularly in relation to the physical significance of these parameters as revealed by their quantitative relations to temperature, retinal area, and light time fraction in the flash cycle, and to their interrelations in producing the decline of rod effects at higher intensities. It is stressed that in general the properties of the parameters of a chosen interpretive analytical function must be shown experimentally to possess the physical properties implied by the equation selected before the equation can be regarded as describing those invariant properties of the organic system concerned upon which alone can deduction of the nature of the system proceed. The importance of genetic procedures in furthering demonstration that the biological performance considered in any particular case exhibits constitutionally invariant features provides a potentially powerful instrument in such rational analysis. PMID:19873115

Statistical, time series, and fractal analysis of full stretch of river Yamuna (India) for water quality management.

PubMed

Parmar, Kulwinder Singh; Bhardwaj, Rashmi

2015-01-01

River water is a major resource of drinking water on earth. Management of river water is highly needed for surviving. Yamuna is the main river of India, and monthly variation of water quality of river Yamuna, using statistical methods have been compared at different sites for each water parameters. Regression, correlation coefficient, autoregressive integrated moving average (ARIMA), box-Jenkins, residual autocorrelation function (ACF), residual partial autocorrelation function (PACF), lag, fractal, Hurst exponent, and predictability index have been estimated to analyze trend and prediction of water quality. Predictive model is useful at 95% confidence limits and all water parameters reveal platykurtic curve. Brownian motion (true random walk) behavior exists at different sites for BOD, AMM, and total Kjeldahl nitrogen (TKN). Quality of Yamuna River water at Hathnikund is good, declines at Nizamuddin, Mazawali, Agra D/S, and regains good quality again at Juhikha. For all sites, almost all parameters except potential of hydrogen (pH), water temperature (WT) crosses the prescribed limits of World Health Organization (WHO)/United States Environmental Protection Agency (EPA).

Relationships between the structure of natural organic matter and its reactivity towards molecular ozone and hydroxyl radicals

USGS Publications Warehouse

Westerhoff, P.; Aiken, G.; Amy, G.; Debroux, J.

1999-01-01

Oxidation reaction rate parameters for molecular ozone (O3) and hydroxyl (HO) radicals with a variety of hydrophobic organic acids (HOAs) isolated from different geographic locations were determined from batch ozonation studies. Rate parameter values, obtained under equivalent dissolved organic carbon concentrations in both the presence and absence of non-NOM HO radical scavengers, varied as a function of NOM structure. First-order rate constants for O3 consumption (k(O3)) averaged 8.8 x 10-3 s-1, ranging from 3.9 x 10-3 s-1 for a groundwater HOA to > 16 x 10-3 s-1 for river HOAs with large terrestrial carbon inputs. The average second-order rate constant (k(HO,DOC) between HO radicals and NOM was 3.6 x 108 l (mol C)-1 s-1; a mass of 12 g C per mole C was used in all calculations. Specific ultraviolet absorbance (SUVA) at 254 or 280 nm of the HOAs correlated well (r > 0.9) with O3 consumption rate parameters, implying that organic ??-electrons strongly and selectively influence oxidative reactivity. HO radical reactions with NOM were less selective, although correlation between k(HO,DOC) and SUVA existed. Other physical-chemical properties of NOM, such as aromatic and aliphatic carbon content from 13C-NMR spectroscopy, proved less sensitive for predicting oxidation reactivity than SUVA. The implication of this study is that the structural nature of NOM varies temporally and spatially in a water source, and both the nature and amount of NOM will influence oxidation rates.

Airborne cloud condensation nuclei measurements during the 2006 Texas Air Quality Study

NASA Astrophysics Data System (ADS)

Asa-Awuku, Akua; Moore, Richard H.; Nenes, Athanasios; Bahreini, Roya; Holloway, John S.; Brock, Charles A.; Middlebrook, Ann M.; Ryerson, Thomas B.; Jimenez, Jose L.; Decarlo, Peter F.; Hecobian, Arsineh; Weber, Rodney J.; Stickel, Robert; Tanner, Dave J.; Huey, Lewis G.

2011-06-01

Airborne measurements of aerosol and cloud condensation nuclei (CCN) were conducted aboard the National Oceanic and Atmospheric Administration WP-3D platform during the 2006 Texas Air Quality Study/Gulf of Mexico Atmospheric Composition and Climate Study (TexAQS/GoMACCS). The measurements were conducted in regions influenced by industrial and urban sources. Observations show significant local variability of CCN activity (CCN/CN from 0.1 to 0.5 at s = 0.43%), while variability is less significant across regional scales (˜100 km × 100 km; CCN/CN is ˜0.1 at s = 0.43%). CCN activity can increase with increasing plume age and oxygenated organic fraction. CCN measurements are compared to predictions for a number of mixing state and composition assumptions. Mixing state assumptions that assumed internally mixed aerosol predict CCN concentrations well. Assuming organics are as hygroscopic as ammonium sulfate consistently overpredicted CCN concentrations. On average, the water-soluble organic carbon (WSOC) fraction is 60 ± 14% of the organic aerosol. We show that CCN closure can be significantly improved by incorporating knowledge of the WSOC fraction with a prescribed organic hygroscopicity parameter (κ = 0.16 or effective κ ˜ 0.3). This implies that the hygroscopicity of organic mass is primarily a function of the WSOC fraction. The overall aerosol hygroscopicity parameter varies between 0.08 and 0.88. Furthermore, droplet activation kinetics are variable and 60% of particles are smaller than the size characteristic of rapid droplet growth.

Metal-organic complexes in geochemical processes: Estimation of standard partial molal thermodynamic properties of aqueous complexes between metal cations and monovalent organic acid ligands at high pressures and temperatures

NASA Astrophysics Data System (ADS)

Shock, Everetr L.; Koretsky, Carla M.

1995-04-01

Regression of standard state equilibrium constants with the revised Helgeson-Kirkham-Flowers (HKF) equation of state allows evaluation of standard partial molal entropies ( overlineSo) of aqueous metal-organic complexes involving monovalent organic acid ligands. These values of overlineSo provide the basis for correlations that can be used, together with correlation algorithms among standard partial molal properties of aqueous complexes and equation-of-state parameters, to estimate thermodynamic properties including equilibrium constants for complexes between aqueous metals and several monovalent organic acid ligands at the elevated pressures and temperatures of many geochemical processes which involve aqueous solutions. Data, parameters, and estimates are given for 270 formate, propanoate, n-butanoate, n-pentanoate, glycolate, lactate, glycinate, and alanate complexes, and a consistent algorithm is provided for making other estimates. Standard partial molal entropies of association ( Δ -Sro) for metal-monovalent organic acid ligand complexes fall into at least two groups dependent upon the type of functional groups present in the ligand. It is shown that isothermal correlations among equilibrium constants for complex formation are consistent with one another and with similar correlations for inorganic metal-ligand complexes. Additional correlations allow estimates of standard partial molal Gibbs free energies of association at 25°C and 1 bar which can be used in cases where no experimentally derived values are available.

Mechanisms of chronic waterborne Zn toxicity in Daphnia magna.

PubMed

Muyssen, Brita T A; De Schamphelaere, Karel A C; Janssen, Colin R

2006-05-25

In order to gain better insights in the integrated response of Daphnia magna following chronic zinc exposure, several physiological parameters were measured in a time-dependent manner. D. magna juveniles were exposed for 21 days to dissolved Zn concentrations up to 340 microg/L. Next to standard endpoints such as mortality, growth and reproduction the following sub-lethal endpoints were measured: filtration and ingestion rate, respiration rate, energy reserves, internal Zn and total Ca concentrations in the organisms. Organisms exposed to 80 microg/L generally performed better than the Zn deprived control organisms. The former were used to elucidate the effects of higher Zn concentrations on the endpoints mentioned above. After 1 week, only 7% of the organisms exposed to 340 microg/L survived. Body Zn contents of these organisms were 281 +/- 76 microg g dry weight and a 37% decrease of the Ca contents was observed. This suggests a competitive effect of Zn on Ca uptake. Filtration rate (-51%), individual weight (-58%) and energy reserves (-35%) also exhibited a decreasing trend as a function of increasing Zn exposure concentrations. During the second and third exposure week an overall repair process was observed. In the surviving organisms mortality and reproduction were only slightly affected. This can be explained by (over)compensation reactions at lower levels of biological organisation: Ca contents (+24%) and filtration rate (+90%) increased as a function of the exposure concentration while respiration rate decreased (-29%) resulting in energy reserves remaining constant as a function of Zn exposure. It is hypothesized that a disturbed Ca balance is probably the first cause for zinc toxicity effects in D. magna.

[Quality assurance of the renal applications software].

PubMed

del Real Núñez, R; Contreras Puertas, P I; Moreno Ortega, E; Mena Bares, L M; Maza Muret, F R; Latre Romero, J M

2007-01-01

The need for quality assurance of all technical aspects of nuclear medicine studies is widely recognised. However, little attention has been paid to the quality assurance of the applications software. Our work reported here aims at verifying the analysis software for processing of renal nuclear medicine studies (renograms). The software tools were used to build a synthetic dynamic model of renal system. The model consists of two phases: perfusion and function. The organs of interest (kidneys, bladder and aortic artery) were simple geometric forms. The uptake of the renal structures was described by mathematic functions. Curves corresponding to normal or pathological conditions were simulated for kidneys, bladder and aortic artery by appropriate selection of parameters. There was no difference between the parameters of the mathematic curves and the quantitative data produced by the renal analysis program. Our test procedure is simple to apply, reliable, reproducible and rapid to verify the renal applications software.

Aberrant topological organization of the functional brain network associated with prior overt hepatic encephalopathy in cirrhotic patients.

PubMed

Chen, Hua-Jun; Chen, Qiu-Feng; Yang, Zhe-Ting; Shi, Hai-Bin

2018-05-30

A higher risk of cognitive impairments has been found after an overt hepatic encephalopathy (OHE) episode in cirrhotic patients. We investigated the effect of prior OHE episodes on the topological organization of the functional brain network and its association with the relevant cognitive impairments. Resting-state functional MRI data were acquired from 41 cirrhotic patients (19 with prior OHE (Prior-OHE) and 22 without (Non-Prior-OHE)) and 21 healthy controls (HC). A Psychometric Hepatic Encephalopathy Score (PHES) assessed cognition. The whole-brain functional network was constructed by thresholding functional correlation matrices of 90 brain regions (derived from the Automated Anatomic Labeling atlas). The topological properties of the brain network, including small-worldness, network efficiency, and nodal efficiency, were examined using graph theory-based analysis. Globally, the Prior-OHE group had a significantly decreased clustering coefficient and local efficiency, compared with the controls. Locally, the nodal efficiency in the bilateral medial superior frontal gyrus and the right postcentral gyrus decreased in the Prior-OHE group, while the nodal efficiency in the bilateral anterior cingulate/paracingulate gyri and right superior parietal gyrus increased in the Prior-OHE group. The alterations of global and regional network parameters progressed from Non-Prior-OHE to Prior-OHE and the clustering coefficient and local efficiency values were significantly correlated with PHES results. In conclusion, cirrhosis leads to the reduction of brain functional network efficiency, which could be aggravated by a prior OHE episode. Aberrant topological organization of the functional brain network may contribute to a higher risk of cognitive impairments in Prior-OHE patients.

Effect of organic ligands on Mg partitioning and Mg isotope fractionation during low-temperature precipitation of calcite in the absence of growth rate effects

NASA Astrophysics Data System (ADS)

Mavromatis, Vasileios; Immenhauser, Adrian; Buhl, Dieter; Purgstaller, Bettina; Baldermann, Andre; Dietzel, Martin

2017-06-01

Calcite growth rate has been previously shown to be the dominating parameter controlling both Mg partitioning and Mg isotope fractionation during calcite growth. In natural calcite precipitation environments - characterized by abundant organic material - the presence of dissolved organic molecules may affect these two parameters. In order to assess the role of organic molecules, steady state calcite growth experiments have been performed at 25 °C, 1 bar pCO2 and constant, within analytical uncertainty growth rate (rp = 10-7.4 mol m-2 s-1) in the presence of aqueous Mg and six organic ligands in the concentration range from 0.01 to 10 mM. The organic ligands used in this study are: (i) acetic acid, (ii) citric acid, (iii) glutamic acid, (iv) salycilic acid, (v) glycine, and (vi) ethylenediaminetetraacetic acid (EDTA). These contain one or more carboxyl- and amino-groups that are commonly present in natural organic substances found in lacustrine, fluvial, soil, cave, as well as in marine and earliest diagenetic porewater environments. Results shown here indicate that the presence of these carboxyl- and amino-groups promotes an increase in the partition coefficient of Mg in calcite (DMg = (Mg/Ca)calcite/(Mg/Ca)fluid) that can be attributed to their adsorption onto the calcite surfaces and the subsequent reduction of the active sites of growth. This increase of DMg values as a function of the supersaturation degree of calcite in the fluid phase can be described by the linear equation:

[Survival strategy of photosynthetic organisms. 1. Variability of the extent of light-harvesting pigment aggregation as a structural factor optimizing the function of oligomeric photosynthetic antenna. Model calculations].

PubMed

Fetisova, Z G

2004-01-01

In accordance with our concept of rigorous optimization of photosynthetic machinery by a functional criterion, this series of papers continues purposeful search in natural photosynthetic units (PSU) for the basic principles of their organization that we predicted theoretically for optimal model light-harvesting systems. This approach allowed us to determine the basic principles for the organization of a PSU of any fixed size. This series of papers deals with the problem of structural optimization of light-harvesting antenna of variable size controlled in vivo by the light intensity during the growth of organisms, which accentuates the problem of antenna structure optimization because optimization requirements become more stringent as the PSU increases in size. In this work, using mathematical modeling for the functioning of natural PSUs, we have shown that the aggregation of pigments of model light-harvesting antenna, being one of universal optimizing factors, furthermore allows controlling the antenna efficiency if the extent of pigment aggregation is a variable parameter. In this case, the efficiency of antenna increases with the size of the elementary antenna aggregate, thus ensuring the high efficiency of the PSU irrespective of its size; i.e., variation in the extent of pigment aggregation controlled by the size of light-harvesting antenna is biologically expedient.

Acid-base chemistry of dissolved organic matter in aqueous leaf extracts: Application to organic acids in throughfall. [Chrysolepis sempervirens; Pinus monticola; Salix orestera

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

Brown, A.D.; Sposito, G.

Elemental composition data were obtained for bulk precipitation and throughfall samples and for aqueous extracts of leaves of three woody plant species common in the subalpine Sierras Nevada range, California: chinquapin (Chrysolepis sempervirens Hjelmqvist), western white pine (Pinus monticola Dougl.), and willow (Salix orestera Schneider). The acid-base equilibria of the extracts were characterized by potentiometric titration and proton formation functions were computed. The latter then were modeled assuming four classes of quasiparticle acidic functional groups, yielding negative logarithms of conditional protonation constants in the range 4.8 to 5.0, 6.1 to 6.6, 7.4 to 7.7, and 9.1 to 9.4. The relativemore » concentration of a given acidic functional group class varied markedly among the three woody species, but the conditional protonation constants were very similar. The model parameters, along with dissolved organic C concentration and pH values, were used to estimate net anion deficits in throughfall samples collected from the same sites as the leaf samples. On average, the calculated charge concentration of free organic anions in the western white pine extract matched the throughfall anion deficit, whereas the deficits in the chinquapin and willow throughfall samples were not accounted for by free anion concentrations. Metal complexation and in situ, species-dependent leaf surfaces processes may account for these latter differences.« less

Subtle Effects of Aliphatic Alcohol Structure on Water Extraction and Solute Aggregation in Biphasic Water/ n -Dodecane

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

Knight, Andrew W.; Qiao, Baofu; Chiarizia, Renato

Organic phase aggregation behavior of 1-octanol and its structural isomer, 2-ethylhexanol, in a biphasic n-dodecane water system is studied with a combination of physical measurement, small-angle X-ray scattering (SAXS), and atomistic molecular dynamic simulations. Physical properties of the organic phases are probed following their mixing and equilibration with immiscible water phases. Studies reveal that the interfacial tension decreases as a function of increasing alcohol concentration over the solubility range of the alcohol with no evidence for a critical aggregate concentration (cac). An uptake of water into the organic phases is quantified, as a function of alcohol content, by Karl Fischermore » titrations. The extraction of water into dodecane was further assessed as a function of alcohol concentration via the slope-analysis method sometimes employed in chemical separations. This provides a qualitative understanding of solute (water/alcohol) aggregation in the organic phase. The physical results are supported by analyses of SAXS data that reveals an emergence of aggregates in n-dodecane at elevated alcohol concentrations. The observed aggregate structure is dependent on the alcohol tail group geometry, consistent with surfactant packing parameter. The formation of these aggregates is discussed at a molecular level, where alcohol-alcohol and alcohol-water H-bonding interactions likely dominate the occurrence and morphology of the aggregates.« less

A comparative study on the influence of different organic amendments on trace element mobility and microbial functionality of a polluted mine soil.

PubMed

Abad-Valle, P; Iglesias-Jiménez, E; Álvarez-Ayuso, E

2017-03-01

A mine soil heavily polluted with zinc and cadmium was employed to evaluate the capacity of organic amendments of different origin to simultaneously reduce soil trace element mobility and enhance soil microbial functionality. With this aim, four organic products, namely olive processing solid waste (OPSW), municipal solid waste compost (MSWC), leonardite and peat, were applied individually at different doses (0, 1, 2 and 5%) to mine soil under controlled laboratory conditions. Extraction studies and analysis of soil microbiological parameters (basal soil respiration and dehydrogenase, β-glucosidase, urease, arylsulfatase and acid and alkaline phosphatase activities) were performed to assess the effect of such amendments on soil restoration. Their ability to decrease mine soil mobile trace element contents followed the sequence MSWC > OPSW > peat > leonardite, with the former achieving reduction levels of 78 and 73% for Zn and Cd, respectively, when applied at a dose of 5%. This amendment also showed a good performance to restore soil microbial functionality. Thus, basal soil respiration and dehydrogenase, urease and alkaline phosphatase activities experienced increases of 187, 79, 42 and 26%, respectively, when mine soil was treated with 5% MSWC. Among tested organic products, MSWC proved to be the best amendment to perform both the chemical and the microbial soil remediation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Genetic Complexity and Quantitative Trait Loci Mapping of Yeast Morphological Traits

PubMed Central

Nogami, Satoru; Ohya, Yoshikazu; Yvert, Gaël

2007-01-01

Functional genomics relies on two essential parameters: the sensitivity of phenotypic measures and the power to detect genomic perturbations that cause phenotypic variations. In model organisms, two types of perturbations are widely used. Artificial mutations can be introduced in virtually any gene and allow the systematic analysis of gene function via mutants fitness. Alternatively, natural genetic variations can be associated to particular phenotypes via genetic mapping. However, the access to genome manipulation and breeding provided by model organisms is sometimes counterbalanced by phenotyping limitations. Here we investigated the natural genetic diversity of Saccharomyces cerevisiae cellular morphology using a very sensitive high-throughput imaging platform. We quantified 501 morphological parameters in over 50,000 yeast cells from a cross between two wild-type divergent backgrounds. Extensive morphological differences were found between these backgrounds. The genetic architecture of the traits was complex, with evidence of both epistasis and transgressive segregation. We mapped quantitative trait loci (QTL) for 67 traits and discovered 364 correlations between traits segregation and inheritance of gene expression levels. We validated one QTL by the replacement of a single base in the genome. This study illustrates the natural diversity and complexity of cellular traits among natural yeast strains and provides an ideal framework for a genetical genomics dissection of multiple traits. Our results did not overlap with results previously obtained from systematic deletion strains, showing that both approaches are necessary for the functional exploration of genomes. PMID:17319748

Multifunctional Nanoparticles Self-Assembled from Small Organic Building Blocks for Biomedicine.

PubMed

Xing, Pengyao; Zhao, Yanli

2016-09-01

Supramolecular self-assembly shows significant potential to construct responsive materials. By tailoring the structural parameters of organic building blocks, nanosystems can be fabricated, whose performance in catalysis, energy storage and conversion, and biomedicine has been explored. Since small organic building blocks are structurally simple, easily modified, and reproducible, they are frequently employed in supramolecular self-assembly and materials science. The dynamic and adaptive nature of self-assembled nanoarchitectures affords an enhanced sensitivity to the changes in environmental conditions, favoring their applications in controllable drug release and bioimaging. Here, recent significant research advancements of small-organic-molecule self-assembled nanoarchitectures toward biomedical applications are highlighted. Functionalized assemblies, mainly including vesicles, nanoparticles, and micelles are categorized according to their topological morphologies and functions. These nanoarchitectures with different topologies possess distinguishing advantages in biological applications, well incarnating the structure-property relationship. By presenting some important discoveries, three domains of these nanoarchitectures in biomedical research are covered, including biosensors, bioimaging, and controlled release/therapy. The strategies regarding how to design and characterize organic assemblies to exhibit biomedical applications are also discussed. Up-to-date research developments in the field are provided and research challenges to be overcome in future studies are revealed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A MATLAB toolbox for the efficient estimation of the psychometric function using the updated maximum-likelihood adaptive procedure

PubMed Central

Richards, V. M.; Dai, W.

2014-01-01

A MATLAB toolbox for the efficient estimation of the threshold, slope, and lapse rate of the psychometric function is described. The toolbox enables the efficient implementation of the updated maximum-likelihood (UML) procedure. The toolbox uses an object-oriented architecture for organizing the experimental variables and computational algorithms, which provides experimenters with flexibility in experimental design and data management. Descriptions of the UML procedure and the UML Toolbox are provided, followed by toolbox use examples. Finally, guidelines and recommendations of parameter configurations are given. PMID:24671826

Remote Synchronization Reveals Network Symmetries and Functional Modules

NASA Astrophysics Data System (ADS)

Nicosia, Vincenzo; Valencia, Miguel; Chavez, Mario; Díaz-Guilera, Albert; Latora, Vito

2013-04-01

We study a Kuramoto model in which the oscillators are associated with the nodes of a complex network and the interactions include a phase frustration, thus preventing full synchronization. The system organizes into a regime of remote synchronization where pairs of nodes with the same network symmetry are fully synchronized, despite their distance on the graph. We provide analytical arguments to explain this result, and we show how the frustration parameter affects the distribution of phases. An application to brain networks suggests that anatomical symmetry plays a role in neural synchronization by determining correlated functional modules across distant locations.

Database constraints applied to metabolic pathway reconstruction tools.

PubMed

Vilaplana, Jordi; Solsona, Francesc; Teixido, Ivan; Usié, Anabel; Karathia, Hiren; Alves, Rui; Mateo, Jordi

2014-01-01

Our group developed two biological applications, Biblio-MetReS and Homol-MetReS, accessing the same database of organisms with annotated genes. Biblio-MetReS is a data-mining application that facilitates the reconstruction of molecular networks based on automated text-mining analysis of published scientific literature. Homol-MetReS allows functional (re)annotation of proteomes, to properly identify both the individual proteins involved in the process(es) of interest and their function. It also enables the sets of proteins involved in the process(es) in different organisms to be compared directly. The efficiency of these biological applications is directly related to the design of the shared database. We classified and analyzed the different kinds of access to the database. Based on this study, we tried to adjust and tune the configurable parameters of the database server to reach the best performance of the communication data link to/from the database system. Different database technologies were analyzed. We started the study with a public relational SQL database, MySQL. Then, the same database was implemented by a MapReduce-based database named HBase. The results indicated that the standard configuration of MySQL gives an acceptable performance for low or medium size databases. Nevertheless, tuning database parameters can greatly improve the performance and lead to very competitive runtimes.

Acute and subacute toxicity evaluation of ethanolic extract from fruits of Schinus molle in rats.

PubMed

Ferrero, Adriana; Minetti, Alejandra; Bras, Cristina; Zanetti, Noelia

2007-09-25

Ethanolic and hexanic extracts from fruits and leaves of Schinus molle showed ability to control several insect pests. Potential vertebrate toxicity associated with insecticidal plants requires investigation before institutional promotion. The aim of the present study was to evaluate the acute and subacute toxicity of ethanolic extracts from fruits of Schinus molle in rats. The plant extract was added to the diet at 2g/kg body weight/day during 1 day to evaluate acute toxicity and at 1g/kg body weight/day during 14 days to evaluate subacute toxicity. At the end of the exposure and after 7 days, behavioral and functional parameters in a functional observational battery and motor activity in an open field were assessed. Finally, histopathological examinations were conducted on several organs. In both exposures, an increase in the arousal level was observed in experimental groups. Also, the landing foot splay parameter increased in the experimental group after acute exposure. Only the subacute exposure produced a significant increase in the motor activity in the open field. All these changes disappeared after 7 days. None of the exposures affected the different organs evaluated. Our results suggest that ethanolic extracts from fruits and leaves of Schinus molle should be relatively safe to use as insecticide.

Design of Organic Solar Cells as a Function of Radiative Quantum Efficiency

NASA Astrophysics Data System (ADS)

Godefroid, Blaise; Kozyreff, Gregory

2017-09-01

We study the radiative decay, or fluorescence, of excitons in organic solar cells as a function of its geometrical parameters. Contrary to their nonradiative counterpart, fluorescence losses strongly depend on the environment. By properly tuning the thicknesses of the buffer layers between the active regions of the cell and the electrodes, the exciton lifetime and, hence, the exciton diffusion length can be increased. The importance of this phenomenon depends on the radiative quantum efficiency, which is the fraction of the exciton decay that is intrinsically due to fluorescence. Besides this effect, interferences within the cell control the efficiency of sunlight injection into the active layers. The optimal cell design must rely on a consideration of these two aspects. By properly managing fluorescence losses, one can significantly improve the cell performance. To demonstrate this fact, we use realistic material parameters inspired from literature data and obtain an increase of power-conversion efficiency from 11.3% to 12.7%. Conversely, not to take into account the strong dependence of fluorescence on the environment may lead to a suboptimal cell design and a degradation of cell performance. The presence of radiative losses, however small, significantly changes the optimal set of thicknesses. We illustrate the latter situation with experimental material data.

Interrelationships Between Morphometric, Densitometric, and Mechanical Properties of Teeth in 5-Month-Old Polish Merino Sheep.

PubMed

Tatara, Marcin R; Szabelska, Anna; Krupski, Witold; Tymczyna, Barbara; Łuszczewska-Sierakowska, Iwona; Bieniaś, Jarosław; Ostapiuk, Monika

2018-06-01

Interrelationships between morphological, densitometric, and mechanical properties of deciduous mandibular teeth (incisors, canine, second premolar) were investigated. To perform morphometric, densitometric, and mechanical analyses, teeth were obtained from 5-month-old sheep. Measurements of mean volumetric tooth mineral density and total tooth volume were performed using quantitative computed tomography. Microcomputed tomography was used to measure total enamel volume, volumetric enamel mineral density, total dentin volume, and volumetric dentin mineral density. Maximum elastic strength and ultimate force of teeth were determined using 3-point bending and compression tests. Pearson correlation coefficients were determined between all investigated variables. Mutual dependence was observed between morphological and mechanical properties of the investigated teeth. The highest number of positive correlations of the investigated parameters was stated in first incisor indicating its superior predictive value of tooth quality and masticatory organ function in sheep. Positive correlations of the volumetric dentin mineral density in second premolar with final body weight may indicate predictive value of this parameter in relation with growth rate in sheep. Evaluation of deciduous tooth properties may prove helpful for breeding selection and further reproduction of sheep possessing favorable traits of teeth and better masticatory organ function, leading to improved performance and economic efficiency of the flock.

Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions. A Combined EPR and DFT Study

DOE PAGES

Mardis, Kristy L.; Webb, J.; Holloway, Tarita; ...

2015-12-03

Organic photovoltaic (OPV) devices are a promising alternative energy source. Attempts to improve their performance have focused on the optimization of electron-donating polymers, while electron-accepting fullerenes have received less attention. Here, we report an electronic structure study of the widely used soluble fullerene derivatives PC61BM and PC71BM in their singly reduced state, that are generated in the polymer:fullerene blends upon light-induced charge separation. Density functional theory (DFT) calculations characterize the electronic structures of the fullerene radical anions through spin density distributions and magnetic resonance parameters. The good agreement of the calculated magnetic resonance parameters with those determined experimentally by advancedmore » electron paramagnetic resonance (EPR) allows the validation of the DFT calculations. Thus, for the first time, the complete set of magnetic resonance parameters including directions of the principal g-tensor axes were determined. For both molecules, no spin density is present on the PCBM side chain, and the axis of the largest g-value lies along the PCBM molecular axis. While the spin density distribution is largely uniform for PC61BM, it is not evenly distributed for PC71BM.« less

A safety study of oral tangeretin and xanthohumol administration to laboratory mice.

PubMed

Vanhoecke, Barbara W; Delporte, Femke; Van Braeckel, Eva; Heyerick, Arne; Depypere, Herman T; Nuytinck, Margareta; De Keukeleire, Denis; Bracke, Marc E

2005-01-01

The detection of molecular targets for flavonoids in cell signalling has opened new perspectives for their application in medicine. Both tangeretin, a citrus methoxyflavone, and xanthohumol, the main prenylated chalcone present in hops (Humulus lupulus L.), act on the mitogen-activated protein kinase pathway and await further investigation for administration in vivo. A safety study was designed in laboratory mice orally administered concentrates of purified tangeretin (1 x 10(-4) M) or xanthohumol (5 x 10(-4) M) at libitum for 4 weeks. Blood samples were collected for the analysis of a variety of haematological and biochemical parameters. A reduction of the circulating lymphocyte number was noticed for tangeretin, while all other parameters were unaffected by treatment with either tangeretin or xanthohumol. The parameters encompassed an integrity check of the following tissues and organs: bone marrow, liver, exocrine pancreas, kidneys, muscles, thyroid, ovaries and surrenal cortex. Furthermore, no differences were noted in the metabolism of proteins, lipids, carbohydrates and uric acid, as well as in ion concentrations. All data indicate that oral administration of tangeretin or xanthohumol to laboratory mice does not affect major organ functions and opens the gate for further safety studies in humans.

Abdominal pain-related functional gastrointestinal disorders in children.

PubMed

Chopra, Jagrati; Patel, Neal; Basude, Dharamveer; Gil-Zaragozano, Elena; Paul, Siba Prosad

2017-06-08

Recurrent abdominal pain is a common presentation in children and mostly non-organic in origin. Nearly one-fifth of the childhood population are known to suffer from it worldwide, although only 50% of these may seek consultation with a health professional. Non-organic recurrent abdominal pain encompasses four main conditions broadly labelled as abdominal pain-related functional gastrointestinal disorders (FGIDs). These are diagnosed following exclusion of organic pathologies and by symptom concordance with defined parameters, published as the Rome IV criteria for FGIDs. Appropriate evaluation includes assessment for 'red flag' manifestations to rule out organic causes. Appropriate review of social and family circumstances is vital to identify triggers and protective factors. Management is based on explanation, reassurance and therapeutic interventions that need to be decided on an individual basis. Treatment focuses primarily on dietary and biopsychosocial interventions, with a minimal role for pharmacological agents. A case study is included to highlight some of the challenges that may arise while managing abdominal pain-related FGIDs. Nurses play a vital role in early identification, providing support and education to children and their families. There is increasing evidence for the effectiveness of nurse-led services in managing these disorders, as well as providing continuity of care.

Assessing and Promoting Functional Resilience in Flight Crews During Exploration Missions

NASA Technical Reports Server (NTRS)

Shelhamer, M.

2015-01-01

The NASA Human Research Program works to mitigate risks to health and performance on extended missions. However, research should be directed not only to mitigating known risks, but also to providing crews with tools to assess and enhance resilience, as a group and individually. We can draw on ideas from complexity theory to assess resilience. The entire crew or the individual crewmember can be viewed as a complex system composed of subsystems; the interactions between subsystems are of crucial importance. Understanding the interactions can provide important information even in the absence of complete information on the component subsystems. Enabled by advances in noninvasive measurement of physiological and behavioral parameters, subsystem monitoring can be implemented within a mission and during training to establish baselines. Coupled with mathematical modeling, this can provide assessment of health and function. Since the web of physiological systems (and crewmembers) can be interpreted as a network in mathematical terms, we can draw on recent work that relates the structure of such networks to their resilience (ability to self-organize in the face of perturbation). Some of the many parameters and interactions to choose from include: sleep cycles, coordination of work and meal times, cardiorespiratory rhythms, circadian rhythms and body temperature, stress markers and cognition, sleep and performance, immune function and nutritional status. Tools for resilience are then the means to measure and analyze these parameters, incorporate them into models of normal variability and interconnectedness, and recognize when parameters or their couplings are outside of normal limits.

A force field for dynamic Cu-BTC metal-organic framework.

PubMed

Zhao, Lei; Yang, Qingyuan; Ma, Qintian; Zhong, Chongli; Mi, Jianguo; Liu, Dahuan

2011-02-01

A new force field that can describe the flexibility of Cu-BTC metal-organic framework (MOF) was developed in this work. Part of the parameters were obtained using density functional theory calculations, and the others were taken from other force fields. The new force field could reproduce well the experimental crystal structure, negative thermal expansion, vibrational properties as well as adsorption behavior in Cu-BTC. In addition, the bulk modulus of Cu-BTC was predicted using the new force field. We believe the new force field is useful in understanding the structure-property relationships for MOFs, and the approach can be extended to other MOFs.

Flow Cytometry and Solid Organ Transplantation: A Perfect Match

PubMed Central

Maguire, Orla; Tario, Joseph D.; Shanahan, Thomas C.; Wallace, Paul K.; Minderman, Hans

2015-01-01

In the field of transplantation, flow cytometry serves a well-established role in pre-transplant crossmatching and monitoring immune reconstitution following hematopoietic stem cell transplantation. The capabilities of flow cytometers have continuously expanded and this combined with more detailed knowledge of the constituents of the immune system, their function and interaction and newly developed reagents to study these parameters have led to additional utility of flow cytometry-based analyses, particularly in the post-transplant setting. This review discusses the impact of flow cytometry on managing alloantigen reactions, monitoring opportunistic infections and graft rejection and gauging immunosuppression in the context of solid organ transplantation. PMID:25296232

Nanostructured Polypyrrole-Based Ammonia and Volatile Organic Compound Sensors

PubMed Central

Šetka, Milena; Drbohlavová, Jana; Hubálek, Jaromír

2017-01-01

The aim of this review is to summarize the recent progress in the fabrication of efficient nanostructured polymer-based sensors with special focus on polypyrrole. The correlation between physico-chemical parameters, mainly morphology of various polypyrrole nanostructures, and their sensitivity towards selected gas and volatile organic compounds (VOC) is provided. The different approaches of polypyrrole modification with other functional materials are also discussed. With respect to possible sensors application in medicine, namely in the diagnosis of diseases via the detection of volatile biomarkers from human breath, the sensor interaction with humidity is described as well. The major attention is paid to analytes such as ammonia and various alcohols. PMID:28287435

Impact of watering with UV-LED-treated wastewater on microbial and physico-chemical parameters of soil.

PubMed

Chevremont, A-C; Boudenne, J-L; Coulomb, B; Farnet, A-M

2013-04-15

Advanced oxidation processes based on UV radiations have been shown to be a promising wastewater disinfection technology. The UV-LED system involves innovative materials and could be an advantageous alternative to mercury-vapor lamps. The use of the UV-LED system results in good water quality meeting the legislative requirements relating to wastewater reuse for irrigation. The aim of this study was to investigate the impact of watering with UV-LED treated wastewaters (UV-LED WW) on soil parameters. Solid-state ¹³C NMR shows that watering with UV-LED WW do not change the chemical composition of soil organic matter compared to soil watered with potable water. Regarding microbiological parameters, laccase, cellulase, protease and urease activities increase in soils watered with UV-LED WW which means that organic matter brought by the effluent is actively degraded by soil microorganisms. The functional diversity of soil microorganisms is not affected by watering with UV-LED WW when it is altered by 4 and 8 months of watering with wastewater (WW). After 12 months, functional diversity is similar regardless of the water used for watering. The persistence of faecal indicator bacteria (coliform and enterococci) was also determined and watering with UV-LED WW does not increase their number nor their diversity unlike soils irrigated with activated sludge wastewater. The study of watering-soil microcosms with UV-LED WW indicates that this system seems to be a promising alternative to the UV-lamp-treated wastewaters. Copyright © 2013 Elsevier Ltd. All rights reserved.

Impact of global climate change on ozone, particulate matter, and secondary organic aerosol concentrations in California: A model perturbation analysis

NASA Astrophysics Data System (ADS)

Horne, Jeremy R.; Dabdub, Donald

2017-03-01

Air quality simulations are performed to determine the impact of changes in future climate and emissions on regional air quality in the South Coast Air Basin (SoCAB) of California. The perturbation parameters considered in this study include (1) temperature, (2) absolute humidity, (3) biogenic VOC emissions due to temperature changes, and (4) boundary conditions. All parameters are first perturbed individually. In addition, the impact of simultaneously perturbing more than one parameter is analyzed. Air quality is simulated with meteorology representative of a summertime ozone pollution episode using both a baseline 2005 emissions inventory and a future emissions projection for the year 2023. Different locations within the modeling domain exhibit varying degrees of sensitivity to the perturbations considered. Afternoon domain wide average ozone concentrations are projected to increase by 13-18% as a result of changes in future climate and emissions. Afternoon increases at individual locations range from 10 to 36%. The change in afternoon particulate matter (PM) levels is a strong function of location in the basin, ranging from -7.1% to +4.7% when using 2005 emissions and -8.6% to +1.7% when using 2023 emissions. Afternoon secondary organic aerosol (SOA) concentrations for the entire domain are projected to decrease by over 15%, and the change in SOA levels is not a strong function of the emissions inventory utilized. Temperature increases play the dominant role in determining the overall impact on ozone, PM, and SOA concentrations in both the individual and combined perturbation scenarios.

Event-by-Event Continuous Respiratory Motion Correction for Dynamic PET Imaging.

PubMed

Yu, Yunhan; Chan, Chung; Ma, Tianyu; Liu, Yaqiang; Gallezot, Jean-Dominique; Naganawa, Mika; Kelada, Olivia J; Germino, Mary; Sinusas, Albert J; Carson, Richard E; Liu, Chi

2016-07-01

Existing respiratory motion-correction methods are applied only to static PET imaging. We have previously developed an event-by-event respiratory motion-correction method with correlations between internal organ motion and external respiratory signals (INTEX). This method is uniquely appropriate for dynamic imaging because it corrects motion for each time point. In this study, we applied INTEX to human dynamic PET studies with various tracers and investigated the impact on kinetic parameter estimation. The use of 3 tracers-a myocardial perfusion tracer, (82)Rb (n = 7); a pancreatic β-cell tracer, (18)F-FP(+)DTBZ (n = 4); and a tumor hypoxia tracer, (18)F-fluoromisonidazole ((18)F-FMISO) (n = 1)-was investigated in a study of 12 human subjects. Both rest and stress studies were performed for (82)Rb. The Anzai belt system was used to record respiratory motion. Three-dimensional internal organ motion in high temporal resolution was calculated by INTEX to guide event-by-event respiratory motion correction of target organs in each dynamic frame. Time-activity curves of regions of interest drawn based on end-expiration PET images were obtained. For (82)Rb studies, K1 was obtained with a 1-tissue model using a left-ventricle input function. Rest-stress myocardial blood flow (MBF) and coronary flow reserve (CFR) were determined. For (18)F-FP(+)DTBZ studies, the total volume of distribution was estimated with arterial input functions using the multilinear analysis 1 method. For the (18)F-FMISO study, the net uptake rate Ki was obtained with a 2-tissue irreversible model using a left-ventricle input function. All parameters were compared with the values derived without motion correction. With INTEX, K1 and MBF increased by 10% ± 12% and 15% ± 19%, respectively, for (82)Rb stress studies. CFR increased by 19% ± 21%. For studies with motion amplitudes greater than 8 mm (n = 3), K1, MBF, and CFR increased by 20% ± 12%, 30% ± 20%, and 34% ± 23%, respectively. For (82)Rb rest studies, INTEX had minimal effect on parameter estimation. The total volume of distribution of (18)F-FP(+)DTBZ and Ki of (18)F-FMISO increased by 17% ± 6% and 20%, respectively. Respiratory motion can have a substantial impact on dynamic PET in the thorax and abdomen. The INTEX method using continuous external motion data substantially changed parameters in kinetic modeling. More accurate estimation is expected with INTEX. © 2016 by the Society of Nuclear Medicine and Molecular Imaging, Inc.

Practical deviations from Henry`s law for water/air partitioning of volatile organic compounds

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

Schabron, J.F.; Rovani, J.F. Jr.

A study was conducted to define parameters relating to the use of a down hole submersible photoionization detector (PID) probe to measure volatile organic compounds (VOCs) in an artificial headspace. The partitioning of toluene and trichloroethylene between water and air was studied as a function of analyte concentration and water temperature. The Henry`s law constant governing this partitioning represents an ideal condition at infinite dilution for a particular temperature. The results show that in practice. this partitioning is far from ideal. Conditions resulting in apparent, practical deviations from Henry`s law include temperature and VOC concentration. Thus, a single value ofmore » Henry`s law constant for a particular VOC such as toluene can provide only an approximation of concentration in the field. Detector response in saturated humidity environments as a function of water temperature and analyte concentration was studied also.« less

In silico method for modelling metabolism and gene product expression at genome scale

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

Lerman, Joshua A.; Hyduke, Daniel R.; Latif, Haythem

2012-07-03

Transcription and translation use raw materials and energy generated metabolically to create the macromolecular machinery responsible for all cellular functions, including metabolism. A biochemically accurate model of molecular biology and metabolism will facilitate comprehensive and quantitative computations of an organism's molecular constitution as a function of genetic and environmental parameters. Here we formulate a model of metabolism and macromolecular expression. Prototyping it using the simple microorganism Thermotoga maritima, we show our model accurately simulates variations in cellular composition and gene expression. Moreover, through in silico comparative transcriptomics, the model allows the discovery of new regulons and improving the genome andmore » transcription unit annotations. Our method presents a framework for investigating molecular biology and cellular physiology in silico and may allow quantitative interpretation of multi-omics data sets in the context of an integrated biochemical description of an organism.« less

Simulation-Based Joint Estimation of Body Deformation and Elasticity Parameters for Medical Image Analysis

PubMed Central

Foskey, Mark; Niethammer, Marc; Krajcevski, Pavel; Lin, Ming C.

2014-01-01

Estimation of tissue stiffness is an important means of noninvasive cancer detection. Existing elasticity reconstruction methods usually depend on a dense displacement field (inferred from ultrasound or MR images) and known external forces. Many imaging modalities, however, cannot provide details within an organ and therefore cannot provide such a displacement field. Furthermore, force exertion and measurement can be difficult for some internal organs, making boundary forces another missing parameter. We propose a general method for estimating elasticity and boundary forces automatically using an iterative optimization framework, given the desired (target) output surface. During the optimization, the input model is deformed by the simulator, and an objective function based on the distance between the deformed surface and the target surface is minimized numerically. The optimization framework does not depend on a particular simulation method and is therefore suitable for different physical models. We show a positive correlation between clinical prostate cancer stage (a clinical measure of severity) and the recovered elasticity of the organ. Since the surface correspondence is established, our method also provides a non-rigid image registration, where the quality of the deformation fields is guaranteed, as they are computed using a physics-based simulation. PMID:22893381

Biomaterials innovation for next generation ex vivo immune tissue engineering.

PubMed

Singh, Ankur

2017-06-01

Primary and secondary lymphoid organs are tissues that facilitate differentiation of B and T cells, leading to the induction of adaptive immune responses. These organs are present in the body from birth and are also recognized as locations where self-reactive B and T cells can be eliminated during the natural selection process. Many insights into the mechanisms that control the process of immune cell development and maturation in response to infection come from the analysis of various gene-deficient mice that lack some or all hallmark features of lymphoid tissues. The complexity of such animal models limits our ability to modulate the parameters that control the process of immune cell development, differentiation, and immunomodulation. Engineering functional, living immune tissues using biomaterials can grant researchers the ability to reproduce immunological events with tunable parameters for more rapid development of immunotherapeutics, cell-based therapy, and enhancing our understanding of fundamental biology as well as improving efforts in regenerative medicine. Here the author provides his review and perspective on the bioengineering of primary and secondary lymphoid tissues, and biomaterials innovation needed for the construction of these immune organs in tissue culture plates and on-chip. Copyright © 2017 Elsevier Ltd. All rights reserved.

Catalytic oxidation for treatment of ECLSS and PMMS waste streams. [Process Material Management Systems

NASA Technical Reports Server (NTRS)

Akse, James R.; Thompson, John; Scott, Bryan; Jolly, Clifford; Carter, Donald L.

1992-01-01

Catalytic oxidation was added to the baseline multifiltration technology for use on the Space Station Freedom in order to convert low-molecular weight organic waste components such as alcohols, aldehydes, ketones, amides, and thiocarbamides to CO2 at low temperature (121 C), thereby reducing the total organic carbon (TOC) to below 500 ppb. The rate of reaction for the catalytic oxidation of aqueous organics to CO2 and water depends primarily upon the catalyst, temperature, and concentration of reactants. This paper describes a kinetic study conducted to determine the impact of each of these parameters upon the reaction rate. The results indicate that a classic kinetic model, the Langmuir-Hinshelwood rate equation for heterogeneous catalysis, can accurately represent the functional dependencies of this rate.

Effects of interfacial stability between electron transporting layer and cathode on the degradation process of organic light-emitting diodes

NASA Astrophysics Data System (ADS)

Chu, Ta-Ya; Lee, Yong-Han; Song, Ok-Keun

2007-11-01

The authors have demonstrated that the increase of electron injection barrier height between tris(8-hydroxyquinoline)aluminum (Alq3) and LiF /Al cathode is one of the most critical parameters to determine the reliability of organic light-emitting diode with the typical structure of indium tin oxide/N ,N'-bis(naphthalen-1-yl)-N ,N'-bis(phenyl) benzidine/Alq3/LiF /Al. The electrical properties of several devices (hole only, electron only, and integrated double-layered devices) have been measured in the function of operating time to analyze the bulk and interface property changes. Bulk properties of trap energy and mobility in an organic layer have been estimated by using trap-charge-limited currents and transient electroluminescence measurements.

Prediction of boiling points of organic compounds by QSPR tools.

PubMed

Dai, Yi-min; Zhu, Zhi-ping; Cao, Zhong; Zhang, Yue-fei; Zeng, Ju-lan; Li, Xun

2013-07-01

The novel electro-negativity topological descriptors of YC, WC were derived from molecular structure by equilibrium electro-negativity of atom and relative bond length of molecule. The quantitative structure-property relationships (QSPR) between descriptors of YC, WC as well as path number parameter P3 and the normal boiling points of 80 alkanes, 65 unsaturated hydrocarbons and 70 alcohols were obtained separately. The high-quality prediction models were evidenced by coefficient of determination (R(2)), the standard error (S), average absolute errors (AAE) and predictive parameters (Qext(2),RCV(2),Rm(2)). According to the regression equations, the influences of the length of carbon backbone, the size, the degree of branching of a molecule and the role of functional groups on the normal boiling point were analyzed. Comparison results with reference models demonstrated that novel topological descriptors based on the equilibrium electro-negativity of atom and the relative bond length were useful molecular descriptors for predicting the normal boiling points of organic compounds. Copyright © 2013 Elsevier Inc. All rights reserved.

Ninety-Day Oral Toxicity Assessment of an Alternative Biopolymer for Controlled Release Drug Delivery Systems Obtained from Cassava Starch Acetate.

PubMed

Jesus, Douglas Rossi; Barbosa, Lorena Neris; Prando, Thiago Bruno Lima; Martins, Leonardo Franco; Gasparotto, Francielli; Guedes, Karla Moraes Rocha; Dragunski, Douglas Cardoso; Lourenço, Emerson Luiz Botelho; Dalsenter, Paulo Roberto; Gasparotto Junior, Arquimedes

2015-01-01

The large consumption of biodegradable films from cassava starch acetate (FCSA) as ingredients in food and pharmaceutical products requires the assessment of the possible toxicity of these products. The aim of this study was to investigate the toxicity of biodegradable film from cassava starch acetate after oral exposure of Wistar rats for 90 days. The amount of food consumed and the body weight were weekly monitored. Blood and urine samples were obtained for the assessment of serum parameters and renal function. Histopathological analyses in target organs were also performed. No evidence of clinical toxicity in hematological, biochemical, or renal parameters in the FCSA-treated animals was found. In addition, relative organ weight and histopathological evaluations did not differ between groups treated with FCSA and control. Data obtained suggest that the subchronic exposure to FCSA does not cause obvious signs of toxicity in Wistar rats, indicating possible safety of this biofilm.

Microscopic theory of the superconducting gap in the quasi-one-dimensional organic conductor (TMTSF) 2ClO4 : Model derivation and two-particle self-consistent analysis

NASA Astrophysics Data System (ADS)

Aizawa, Hirohito; Kuroki, Kazuhiko

2018-03-01

We present a first-principles band calculation for the quasi-one-dimensional (Q1D) organic superconductor (TMTSF) 2ClO4 . An effective tight-binding model with the TMTSF molecule to be regarded as the site is derived from a calculation based on maximally localized Wannier orbitals. We apply a two-particle self-consistent (TPSC) analysis by using a four-site Hubbard model, which is composed of the tight-binding model and an onsite (intramolecular) repulsive interaction, which serves as a variable parameter. We assume that the pairing mechanism is mediated by the spin fluctuation, and the sign of the superconducting gap changes between the inner and outer Fermi surfaces, which correspond to a d -wave gap function in a simplified Q1D model. With the parameters we adopt, the critical temperature for superconductivity estimated by the TPSC approach is approximately 1 K, which is consistent with experiment.

Analysis of the functional gene structure and metabolic potential of microbial community in high arsenic groundwater.

PubMed

Li, Ping; Jiang, Zhou; Wang, Yanhong; Deng, Ye; Van Nostrand, Joy D; Yuan, Tong; Liu, Han; Wei, Dazhun; Zhou, Jizhong

2017-10-15

Microbial functional potential in high arsenic (As) groundwater ecosystems remains largely unknown. In this study, the microbial community functional composition of nineteen groundwater samples was investigated using a functional gene array (GeoChip 5.0). Samples were divided into low and high As groups based on the clustering analysis of geochemical parameters and microbial functional structures. The results showed that As related genes (arsC, arrA), sulfate related genes (dsrA and dsrB), nitrogen cycling related genes (ureC, amoA, and hzo) and methanogen genes (mcrA, hdrB) in groundwater samples were correlated with As, SO 4 2- , NH 4 + or CH 4 concentrations, respectively. Canonical correspondence analysis (CCA) results indicated that some geochemical parameters including As, total organic content, SO 4 2- , NH 4 + , oxidation-reduction potential (ORP) and pH were important factors shaping the functional microbial community structures. Alkaline and reducing conditions with relatively low SO 4 2- , ORP, and high NH 4 + , as well as SO 4 2- and Fe reduction and ammonification involved in microbially-mediated geochemical processes could be associated with As enrichment in groundwater. This study provides an overall picture of functional microbial communities in high As groundwater aquifers, and also provides insights into the critical role of microorganisms in As biogeochemical cycling. Copyright © 2017 Elsevier Ltd. All rights reserved.

Three-dimensional metal-intercalated covalent organic frameworks for near-ambient energy storage

PubMed Central

Gao, Fei; Ding, Zijing; Meng, Sheng

2013-01-01

A new form of nanoporous material, metal intercalated covalent organic framework (MCOF) is proposed and its energy storage property revealed. Employing density functional and thermodynamical analysis, we find that stable, chemically active, porous materials could form by stacking covalent organic framework (COF) layers with metals as a gluing agent. Metal acts as active sites, while its aggregation is suppressed by a binding energy significantly larger than the corresponding cohesive energy of bulk metals. Two important parameters, metal binding and metal-metal separation, are tuned by selecting suitable building blocks and linkers when constructing COF layers. Systematic searches among a variety of elements and organic molecules identify Ca-intercalated COF with diphenylethyne units as optimal material for H2 storage, reaching a striking gravimetric density ~ 5 wt% at near-ambient conditions (300 K, 20 bar), in comparison to < 0.1 wt% for bare COF-1 under the same condition. PMID:23698018

Does machine perfusion decrease ischemia reperfusion injury?

PubMed

Bon, D; Delpech, P-O; Chatauret, N; Hauet, T; Badet, L; Barrou, B

2014-06-01

In 1990's, use of machine perfusion for organ preservation has been abandoned because of improvement of preservation solutions, efficient without perfusion, easy to use and cheaper. Since the last 15 years, a renewed interest for machine perfusion emerged based on studies performed on preclinical model and seems to make consensus in case of expanded criteria donors or deceased after cardiac death donations. We present relevant studies highlighted the efficiency of preservation with hypothermic machine perfusion compared to static cold storage. Machines for organ preservation being in constant evolution, we also summarized recent developments included direct oxygenation of the perfusat. Machine perfusion technology also enables organ reconditioning during the last hours of preservation through a short period of perfusion on hypothermia, subnormothermia or normothermia. We present significant or low advantages for machine perfusion against ischemia reperfusion injuries regarding at least one primary parameter: risk of DFG, organ function or graft survival. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

Polarization dependent photo-induced bias stress effect in organic transistors.

NASA Astrophysics Data System (ADS)

Podzorov, Vitaly; Choi, Hyun Ho; Najafov, Hikmet; Saranin, Danila; Kharlamov, Nikolai A.; Kuznetzov, Denis V.; Didenko, Sergei I.; Cho, Kilwon; Briseno, Alejandro L.; Rutgers-Misis Collaboration; Ru-P Collaboration; Ru-Um Collaboration; Um-P Collaboration

Photo-induced charge transfer between a semiconductor and a gate insulator that occurs in organic transistors operating under illumination leads to a shift of the onset gate voltage in these devices. Here we report an observation of a polarization dependent photo-induced bias-stress effect in two prototypical single-crystal organic field-effect transistors, based on rubrene and TPBIQ. We find that the rate of the effect is a periodic function of polarization angle of a linearly polarized photoexcitation, with a periodicity of π. The observed phenomenon provides an effective tool for addressing the relationship between molecular packing and parameter drift in organic transistors under illumination. The work was carried out with financial support from the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST «MISiS» (No. K3-2016-004), by gov. decree 16/03/2013, N 211.

Multi-scale modularity and motif distributional effect in metabolic networks.

PubMed

Gao, Shang; Chen, Alan; Rahmani, Ali; Zeng, Jia; Tan, Mehmet; Alhajj, Reda; Rokne, Jon; Demetrick, Douglas; Wei, Xiaohui

2016-01-01

Metabolism is a set of fundamental processes that play important roles in a plethora of biological and medical contexts. It is understood that the topological information of reconstructed metabolic networks, such as modular organization, has crucial implications on biological functions. Recent interpretations of modularity in network settings provide a view of multiple network partitions induced by different resolution parameters. Here we ask the question: How do multiple network partitions affect the organization of metabolic networks? Since network motifs are often interpreted as the super families of evolved units, we further investigate their impact under multiple network partitions and investigate how the distribution of network motifs influences the organization of metabolic networks. We studied Homo sapiens, Saccharomyces cerevisiae and Escherichia coli metabolic networks; we analyzed the relationship between different community structures and motif distribution patterns. Further, we quantified the degree to which motifs participate in the modular organization of metabolic networks.

Use of placental extract for the treatment of myopic and senile chorio-retinal dystrophies.

PubMed

Girotto, G; Malinverni, W

1982-01-01

After an examination of the literature, the authors evaluate the activity of placenta extract in 34 subjects suffering from chorio-retinal dystrophy of different types (myopic and senile) and of different degrees of anatomo-functional alteration. The parameters used for this study were visual acuity, the luminous sense, the visual field and the electrophysiological activity of the retina. The aqueous solution was administered by intramuscular route at a daily dose of 3 ml (equivalent to 1,80 g of fresh organ) during 20 days; the parameters were tested before and at the end of the treatment. The results obtained during this study show that the parameters were improved, in different degrees, by the administration of the placenta extract. This is clearly demonstrated by the significant improvement in the luminous sense.

Aerosol optical properties in the southeastern United States in summer - Part 1: Hygroscopic growth

NASA Astrophysics Data System (ADS)

Brock, C. A.; Wagner, N. L.; Anderson, B. E.; Attwood, A. R.; Beyersdorf, A.; Campuzano-Jost, P.; Carlton, A. G.; Day, D. A.; Diskin, G. S.; Gordon, T. D.; Jimenez, J. L.; Lack, D. A.; Liao, J.; Markovic, M. Z.; Middlebrook, A. M.; Ng, N. L.; Perring, A. E.; Richardson, M. S.; Schwarz, J. P.; Washenfelder, R. A.; Welti, A.; Xu, L.; Ziemba, L. D.; Murphy, D. M.

2015-09-01

Aircraft observations of meteorological, trace gas, and aerosol properties were made during May-September 2013 in the southeastern United States (US) under fair-weather, afternoon conditions with well-defined planetary boundary layer structure. Optical extinction at 532 nm was directly measured at three relative humidities and compared with extinction calculated from measurements of aerosol composition and size distribution using the κ-Köhler approximation for hygroscopic growth. Using this approach, the hygroscopicity parameter κ for the organic fraction of the aerosol must have been < 0.10 to be consistent with 75 % of the observations within uncertainties. This subsaturated κ value for the organic aerosol in the southeastern US is consistent with several field studies in rural environments. We present a new parameterization of the change in aerosol extinction as a function of relative humidity that better describes the observations than does the widely used power-law (gamma, γ) parameterization. This new single-parameter κext formulation is based upon κ-Köhler and Mie theories and relies upon the well-known approximately linear relationship between particle volume (or mass) and optical extinction (Charlson et al., 1967). The fitted parameter, κext, is nonlinearly related to the chemically derived κ parameter used in κ-Köhler theory. The values of κext we determined from airborne measurements are consistent with independent observations at a nearby ground site.

Electronic charge rearrangement at metal/organic interfaces induced by weak van der Waals interactions

NASA Astrophysics Data System (ADS)

Ferri, Nicola; Ambrosetti, Alberto; Tkatchenko, Alexandre

2017-07-01

Electronic charge rearrangements at interfaces between organic molecules and solid surfaces play a key role in a wide range of applications in catalysis, light-emitting diodes, single-molecule junctions, molecular sensors and switches, and photovoltaics. It is common to utilize electrostatics and Pauli pushback to control the interface electronic properties, while the ubiquitous van der Waals (vdW) interactions are often considered to have a negligible direct contribution (beyond the obvious structural relaxation). Here, we apply a fully self-consistent Tkatchenko-Scheffler vdW density functional to demonstrate that the weak vdW interactions can induce sizable charge rearrangements at hybrid metal/organic systems (HMOS). The complex vdW correlation potential smears out the interfacial electronic density, thereby reducing the charge transfer in HMOS, changes the interface work functions by up to 0.2 eV, and increases the interface dipole moment by up to 0.3 Debye. Our results suggest that vdW interactions should be considered as an additional control parameter in the design of hybrid interfaces with the desired electronic properties.

Normothermic perfusion: a new paradigm for organ preservation.

PubMed

Brockmann, Jens; Reddy, Srikanth; Coussios, Constantin; Pigott, David; Guirriero, Dino; Hughes, David; Morovat, Alireza; Roy, Debabrata; Winter, Lucy; Friend, Peter J

2009-07-01

Transplantation of organs retrieved after cardiac arrest could increase the donor organ supply. However, the combination of warm ischemia and cold preservation is highly detrimental to the reperfused organ. Our objective was to maintain physiological temperature and organ function during preservation and thereby alleviate this injury and allow successful transplantation. We have developed a liver perfusion device that maintains physiological temperature with provision of oxygen and nutrition. Reperfusion experiments suggested that this allows recovery of ischemic damage. In a pig liver transplant model, we compared the outcome following either conventional cold preservation or warm preservation. Preservation periods of 5 and 20 hours and durations of warm ischemia of 40 and 60 minutes were tested. After 20 hours preservation without warm ischemia, post-transplant survival was improved (27%-86%, P = 0.026), with corresponding differences in transaminase levels and histological analysis. With the addition of 40 minutes warm ischemia, the differences were even more marked (cold vs. warm groups 0% vs. 83%, P = 0.001). However, with 60 minutes warm ischemia and 20 hours preservation, there were no survivors. Analysis of hemodynamic and liver function data during perfusion showed several factors to be predictive of posttransplant survival, including bile production, base excess, portal vein flow, and hepatocellular enzymes. Organ preservation by warm perfusion, maintaining physiological pressure and flow parameters, has enabled prolonged preservation and successful transplantation of both normal livers and those with substantial ischemic damage. This technique has the potential to address the shortage of organs for transplantation.

Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field.

PubMed

Heinz, Hendrik; Lin, Tzu-Jen; Mishra, Ratan Kishore; Emami, Fateme S

2013-02-12

The complexity of the molecular recognition and assembly of biotic-abiotic interfaces on a scale of 1 to 1000 nm can be understood more effectively using simulation tools along with laboratory instrumentation. We discuss the current capabilities and limitations of atomistic force fields and explain a strategy to obtain dependable parameters for inorganic compounds that has been developed and tested over the past decade. Parameter developments include several silicates, aluminates, metals, oxides, sulfates, and apatites that are summarized in what we call the INTERFACE force field. The INTERFACE force field operates as an extension of common harmonic force fields (PCFF, COMPASS, CHARMM, AMBER, GROMACS, and OPLS-AA) by employing the same functional form and combination rules to enable simulations of inorganic-organic and inorganic-biomolecular interfaces. The parametrization builds on an in-depth understanding of physical-chemical properties on the atomic scale to assign each parameter, especially atomic charges and van der Waals constants, as well as on the validation of macroscale physical-chemical properties for each compound in comparison to measurements. The approach eliminates large discrepancies between computed and measured bulk and surface properties of up to 2 orders of magnitude using other parametrization protocols and increases the transferability of the parameters by introducing thermodynamic consistency. As a result, a wide range of properties can be computed in quantitative agreement with experiment, including densities, surface energies, solid-water interface tensions, anisotropies of interfacial energies of different crystal facets, adsorption energies of biomolecules, and thermal and mechanical properties. Applications include insight into the assembly of inorganic-organic multiphase materials, the recognition of inorganic facets by biomolecules, growth and shape preferences of nanocrystals and nanoparticles, as well as thermal transitions and nanomechanics. Limitations and opportunities for further development are also described.

Extended Kalman Filter for Estimation of Parameters in Nonlinear State-Space Models of Biochemical Networks

PubMed Central

Sun, Xiaodian; Jin, Li; Xiong, Momiao

2008-01-01

It is system dynamics that determines the function of cells, tissues and organisms. To develop mathematical models and estimate their parameters are an essential issue for studying dynamic behaviors of biological systems which include metabolic networks, genetic regulatory networks and signal transduction pathways, under perturbation of external stimuli. In general, biological dynamic systems are partially observed. Therefore, a natural way to model dynamic biological systems is to employ nonlinear state-space equations. Although statistical methods for parameter estimation of linear models in biological dynamic systems have been developed intensively in the recent years, the estimation of both states and parameters of nonlinear dynamic systems remains a challenging task. In this report, we apply extended Kalman Filter (EKF) to the estimation of both states and parameters of nonlinear state-space models. To evaluate the performance of the EKF for parameter estimation, we apply the EKF to a simulation dataset and two real datasets: JAK-STAT signal transduction pathway and Ras/Raf/MEK/ERK signaling transduction pathways datasets. The preliminary results show that EKF can accurately estimate the parameters and predict states in nonlinear state-space equations for modeling dynamic biochemical networks. PMID:19018286

Treatment of post-cardiopulmonary bypass SIRS by hemoadsorption: a case series.

PubMed

Träger, Karl; Fritzler, Daniel; Fischer, Guenther; Schröder, Janpeter; Skrabal, Christian; Liebold, Andreas; Reinelt, Helmut

2016-05-16

The use of cardiopulmonary bypass (CPB) in cardiothoracic surgery results in a well-known activation of the immunologic response. In some cases, however, this triggered immunologic response may be excessive, leading to a severe systemic inflammatory response syndrome (SIRS) and induced organ dysfunction. For example, patients frequently develop hemodynamic instability with hypotension and low systemic vascular resistance. To date, different therapeutic approaches, such as steroids, have been tried to control this maladaptive postoperative SIRS response, yet definitive proof of clinical efficacy is missing. A new cytokine adsorber device (CytoSorb; CytoSorbents) may be a useful approach to control hyperinflammatory systemic reactions by reducing a broad range of proinflammatory cytokines and other inflammatory mediators. This may, in turn, help to reestablish a physiologic immune response and help to restore deranged clinical parameters in these patients. In this retrospective case series study, we describe 16 cardiac surgery patients following prolonged CPB with post-CPB SIRS and subsequent acute kidney injury, who were then treated with hemoadsorption using CytoSorb in combination with continuous renal replacement therapy (CRRT). Treatment of patients with CytoSorb who presented with severe post-CPB SIRS resulted in a reduction of elevated cytokine levels, which was associated with a clear stabilization of deranged hemodynamic, metabolic, and organ function parameters. Treatment was well tolerated and safe, with no device-related adverse events occurring. CytoSorb therapy combined with CRRT is a potentially promising new treatment approach to achieve hemodynamic stability, cytokine reduction, and improved organ function in cardiac surgery patients who develop post-CPB SIRS.

Membrane Fluidity Changes, A Basic Mechanism of Interaction of Gravity with Cells?

NASA Astrophysics Data System (ADS)

Kohn, Florian; Hauslage, Jens; Hanke, Wolfgang

2017-10-01

All life on earth has been established under conditions of stable gravity of 1g. Nevertheless, in numerous experiments the direct gravity dependence of biological processes has been shown on all levels of organization, from single molecules to humans. According to the underlying mechanisms a variety of questions, especially about gravity sensation of single cells without specialized organelles or structures for gravity sensing is being still open. Biological cell membranes are complex structures containing mainly lipids and proteins. Functional aspects of such membranes are usually attributed to membrane integral proteins. This is also correct for the gravity dependence of cells and organisms which is well accepted since long for a wide range of biological systems. However, it is as well established that parameters of the lipid matrix are directly modifying the function of proteins. Thus, the question must be asked, whether, and how far plain lipid membranes are affected by gravity directly. In principle it can be said that up to recently no real basic mechanism for gravity perception in single cells has been presented or verified. However, it now has been shown that as a basic membrane parameter, membrane fluidity, is significantly dependent on gravity. This finding might deliver a real basic mechanism for gravity perception of living organisms on all scales. In this review we summarize older and more recent results to demonstrate that the finding of membrane fluidity being gravity dependent is consistent with a variety of published laboratory experiments. We additionally point out to the consequences of these recent results for research in the field life science under space condition.

Acene-modified triphenylamine dyes for dye-sensitized solar cells: a computational study.

PubMed

Fan, Wenjie; Tan, Dazhi; Deng, Wei-Qiao

2012-06-04

A series of metal-free acene-modified triphenylamine dyes (benzene to pentacene, denoted as TPA-AC1 to TPA-AC5) are investigated as organic sensitizers for application in dye-sensitized solar cells (DSSCs). A combination of density functional theory (DFT), density functional tight-binding (DFTB), and time-dependent DFT (TDDFT) approaches is employed. The effects of acene units on the spectra and electrochemical properties of the acene-modified TPA organic dyes are demonstrated. The dye/(TiO(2))(46) anatase nanoparticle systems are also simulated to show the electronic structures at the interface. The results show that from TPA-AC1 to TPA-AC5 with increasing sizes of the acenes, the absorption and fluorescence spectra are systematically broadened and red-shifted, but the oscillator strength and electron injection properties are reduced. The molecular orbital contributions show increasing localization on the bridging acene units from TPA-AC1 to TPA-AC5. From the theoretical examination of some key parameters including free enthalpy related to the electron injection, light-harvesting efficiency, and the shift of semiconductor conduction band, TPA-AC3 with an anthracene moiety demonstrates a balance of the above crucial factors. TPA-AC3 is expected to be a promising dye with desirable energetic and spectroscopic parameters in the DSSC field, which is consistent with recent experimental work. This study is expected to deepen our understanding of TPA-based organic dyes and assist the molecular design of new metal-free dyes for the further optimization of DSSCs. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Functional ecology of aquatic phagotrophic protists - Concepts, limitations, and perspectives.

PubMed

Weisse, Thomas; Anderson, Ruth; Arndt, Hartmut; Calbet, Albert; Hansen, Per Juel; Montagnes, David J S

2016-08-01

Functional ecology is a subdiscipline that aims to enable a mechanistic understanding of patterns and processes from the organismic to the ecosystem level. This paper addresses some main aspects of the process-oriented current knowledge on phagotrophic, i.e. heterotrophic and mixotrophic, protists in aquatic food webs. This is not an exhaustive review; rather, we focus on conceptual issues, in particular on the numerical and functional response of these organisms. We discuss the evolution of concepts and define parameters to evaluate predator-prey dynamics ranging from Lotka-Volterra to the Independent Response Model. Since protists have extremely versatile feeding modes, we explore if there are systematic differences related to their taxonomic affiliation and life strategies. We differentiate between intrinsic factors (nutritional history, acclimatisation) and extrinsic factors (temperature, food, turbulence) affecting feeding, growth, and survival of protist populations. We briefly consider intraspecific variability of some key parameters and constraints inherent in laboratory microcosm experiments. We then upscale the significance of phagotrophic protists in food webs to the ocean level. Finally, we discuss limitations of the mechanistic understanding of protist functional ecology resulting from principal unpredictability of nonlinear dynamics. We conclude by defining open questions and identifying perspectives for future research on functional ecology of aquatic phagotrophic protists. Copyright © 2016 The Authors. Published by Elsevier GmbH.. All rights reserved.

MRI assessed pancreatic morphology and exocrine function are associated with disease burden in chronic pancreatitis.

PubMed

Madzak, Adnan; Olesen, Søren Schou; Lykke Poulsen, Jakob; Bolvig Mark, Esben; Mohr Drewes, Asbjørn; Frøkjær, Jens Brøndum

2017-11-01

The aim of this study was to explore the association between morphological and functional secretin-stimulated MRI parameters with hospitalization, quality of life (QOL), and pain in patients with chronic pancreatitis (CP). This prospective cohort study included 82 patients with CP. Data were obtained from clinical information, QOL, and pain as assessed by questionnaires (The European Organization for Research and Treatment of Cancer Quality of Life Questionnaire and modified Brief Pain Inventory short form). Secretin-stimulated MRI morphological parameters included pancreatic gland volume, main pancreatic duct diameter, the modified Cambridge Classification of Duct Abnormality, apparent diffusion coefficient, fat signal fraction, and the pancreatic secretion volume as a functional parameter. The primary outcomes were time to first hospitalization related to the CP, as well as annual hospitalization frequency and duration. The secondary outcomes were pain severity, QOL, and pain interference scores. A main pancreatic duct diameter below 5 mm was associated with reduced time to first hospitalization (hazard ratio=2.06; 95% confidence interval: 1.02-4.17; P=0.043). Pancreatic secretion volume was correlated with QOL (r=0.31; P=0.0072) and pain interference score (r=-0.27; P=0.032), and fecal elastase was also correlated with QOL (r=0.28; P=0.017). However, functional and morphological findings were not related to pain intensity. Advanced pancreatic imaging techniques may be a highly sensitive tool for prognostication and monitoring of disease activity and its consequences.

Phase transitions in tumor growth: V what can be expected from cancer glycolytic oscillations?

NASA Astrophysics Data System (ADS)

Martin, R. R.; Montero, S.; Silva, E.; Bizzarri, M.; Cocho, G.; Mansilla, R.; Nieto-Villar, J. M.

2017-11-01

Experimental evidence confirms the existence of glycolytic oscillations in cancer, which allows it to self-organize in time and space far from thermodynamic equilibrium, and provides it with high robustness, complexity and adaptability. A kinetic model is proposed for HeLa tumor cells grown in hypoxia conditions. It shows oscillations in a wide range of parameters. Two control parameters (glucose and inorganic phosphate concentration) were varied to explore the phase space, showing also the presence of limit cycles and bifurcations. The complexity of the system was evaluated by focusing on stationary state stability and Lempel-Ziv complexity. Moreover, the calculated entropy production rate was demonstrated behaving as a Lyapunov function.

Tunable Thermal Radiative Properties of Nanotube and Nanowire Arrays

DTIC Science & Technology

2011-06-28

1t does not display a currently valid OMB control number PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ORGANIZATION. 1. REPORT DATE (DD-MM-YYYY) 12...band. Several dielectric function models have been developed to account for different mechanisms, such as Drude’s model for free electrons and...Lorentz oscillator model for phonons [7]. However, the parameters in these models are typically obtained from experiments, limiting their applications in

In silico search for functionally similar proteins involved in meiosis and recombination in evolutionarily distant organisms.

PubMed

Bogdanov, Yuri F; Dadashev, Sergei Y; Grishaeva, Tatiana M

2003-01-01

Evolutionarily distant organisms have not only orthologs, but also nonhomologous proteins that build functionally similar subcellular structures. For instance, this is true with protein components of the synaptonemal complex (SC), a universal ultrastructure that ensures the successful pairing and recombination of homologous chromosomes during meiosis. We aimed at developing a method to search databases for genes that code for such nonhomologous but functionally analogous proteins. Advantage was taken of the ultrastructural parameters of SC and the conformation of SC proteins responsible for these. Proteins involved in SC central space are known to be similar in secondary structure. Using published data, we found a highly significant correlation between the width of the SC central space and the length of rod-shaped central domain of mammalian and yeast intermediate proteins forming transversal filaments in the SC central space. Basing on this, we suggested a method for searching genome databases of distant organisms for genes whose virtual proteins meet the above correlation requirement. Our recent finding of the Drosophila melanogaster CG17604 gene coding for synaptonemal complex transversal filament protein received experimental support from another lab. With the same strategy, we showed that the Arabidopsis thaliana and Caenorhabditis elegans genomes contain unique genes coding for such proteins.

Misalignment with the external light environment drives metabolic and cardiac dysfunction.

PubMed

West, Alexander C; Smith, Laura; Ray, David W; Loudon, Andrew S I; Brown, Timothy M; Bechtold, David A

2017-09-12

Most organisms use internal biological clocks to match behavioural and physiological processes to specific phases of the day-night cycle. Central to this is the synchronisation of internal processes across multiple organ systems. Environmental desynchrony (e.g. shift work) profoundly impacts human health, increasing cardiovascular disease and diabetes risk, yet the underlying mechanisms remain unclear. Here, we characterise the impact of desynchrony between the internal clock and the external light-dark (LD) cycle on mammalian physiology. We reveal that even under stable LD environments, phase misalignment has a profound effect, with decreased metabolic efficiency and disrupted cardiac function including prolonged QT interval duration. Importantly, physiological dysfunction is not driven by disrupted core clock function, nor by an internal desynchrony between organs, but rather the altered phase relationship between the internal clockwork and the external environment. We suggest phase misalignment as a major driver of pathologies associated with shift work, chronotype and social jetlag.The misalignment between internal circadian rhythm and the day-night cycle can be caused by genetic, behavioural and environmental factors, and may have a profound impact on human physiology. Here West et al. show that desynchrony between the internal clock and the external environment alter metabolic parameters and cardiac function in mice.

Analysis of uncertainties in Monte Carlo simulated organ dose for chest CT

NASA Astrophysics Data System (ADS)

Muryn, John S.; Morgan, Ashraf G.; Segars, W. P.; Liptak, Chris L.; Dong, Frank F.; Primak, Andrew N.; Li, Xiang

2015-03-01

In Monte Carlo simulation of organ dose for a chest CT scan, many input parameters are required (e.g., half-value layer of the x-ray energy spectrum, effective beam width, and anatomical coverage of the scan). The input parameter values are provided by the manufacturer, measured experimentally, or determined based on typical clinical practices. The goal of this study was to assess the uncertainties in Monte Carlo simulated organ dose as a result of using input parameter values that deviate from the truth (clinical reality). Organ dose from a chest CT scan was simulated for a standard-size female phantom using a set of reference input parameter values (treated as the truth). To emulate the situation in which the input parameter values used by the researcher may deviate from the truth, additional simulations were performed in which errors were purposefully introduced into the input parameter values, the effects of which on organ dose per CTDIvol were analyzed. Our study showed that when errors in half value layer were within ± 0.5 mm Al, the errors in organ dose per CTDIvol were less than 6%. Errors in effective beam width of up to 3 mm had negligible effect (< 2.5%) on organ dose. In contrast, when the assumed anatomical center of the patient deviated from the true anatomical center by 5 cm, organ dose errors of up to 20% were introduced. Lastly, when the assumed extra scan length was longer by 4 cm than the true value, dose errors of up to 160% were found. The results answer the important question: to what level of accuracy each input parameter needs to be determined in order to obtain accurate organ dose results.

Soil organic carbon sequestration and tillage systems in Mediterranean environments

NASA Astrophysics Data System (ADS)

Francaviglia, Rosa; Di Bene, Claudia; Marchetti, Alessandro; Farina, Roberta

2016-04-01

Soil carbon sequestration is of special interest in Mediterranean areas, where rainfed cropping systems are prevalent, inputs of organic matter to soils are low and mostly rely on crop residues, while losses are high due to climatic and anthropic factors such as intensive and non-conservative farming practices. The adoption of reduced or no tillage systems, characterized by a lower soil disturbance in comparison with conventional tillage, has proved to be positively effective on soil organic carbon (SOC) conservation and other physical and chemical processes, parameters or functions, e.g. erosion, compaction, ion retention and exchange, buffering capacity, water retention and aggregate stability. Moreover, soil biological and biochemical processes are usually improved by the reduction of tillage intensity. The work deals with some results available in the scientific literature, and related to field experiment on arable crops performed in Italy, Greece, Morocco and Spain. Data were organized in a dataset containing the main environmental parameters (altitude, temperature, rainfall), soil tillage system information (conventional, minimum and no-tillage), soil parameters (bulk density, pH, particle size distribution and texture), crop type, rotation, management and length of the experiment in years, initial SOCi and final SOCf stocks. Sampling sites are located between 33° 00' and 43° 32' latitude N, 2-860 m a.s.l., with mean annual temperature and rainfall in the range 10.9-19.6° C and 355-900 mm. SOC data, expressed in t C ha-1, have been evaluated both in terms of Carbon Sequestration Rate, given by [(SOCf-SOCi)/length in years], and as percentage change in comparison with the initial value [(SOCf-SOCi)/SOCi*100]. Data variability due to the different environmental, soil and crop management conditions that influence SOC sequestration and losses will be examined.

Plasma Cardiotrophin-1 as a Marker of Hypertension and Diabetes-Induced Target Organ Damage and Cardiovascular Risk

PubMed Central

Gamella-Pozuelo, Luis; Fuentes-Calvo, Isabel; Gómez-Marcos, Manuel A.; Recio-Rodriguez, José I.; Agudo-Conde, Cristina; Fernández-Martín, José L.; Cannata-Andía, Jorge B.; López-Novoa, José M.; García-Ortiz, Luis; Martínez-Salgado, Carlos

2015-01-01

Abstract The search for biomarkers of hypertension and diabetes-induced damage to multiple target organs is a priority. We analyzed the correlation between plasma cardiotrophin-1 (CT-1), a chemokine that participates in cardiovascular remodeling and organ fibrosis, and a wide range of parameters currently used to diagnose morphological and functional progressive injury in left ventricle, arteries, and kidneys of diabetic and hypertensive patients, in order to validate plasma levels of CT-1 as clinical biomarker. This is an observational study with 93 type 2-diabetic patients, 209 hypertensive patients, and 82 healthy controls in which we assessed the following parameters: plasma CT-1, basal glycaemia, systolic blood pressure (SBP), diastolic blood pressure (DBP), pulse pressure (PP), left ventricular hypertrophy (LVH by electrocardiographic indexes), peripheral vascular disease (by pulse wave velocity—PWV, carotid intima-media thickness—C-IMT, and ankle-brachial index—ABI), and renal impairment (by microalbuminuria, albumin/creatinine urinary ratio, plasma creatinine concentrations, and glomerular filtration rate). Hypertensive or diabetic patients have higher plasma CT-1 than control patients. CT-1 positively correlates with basal glycaemia, SBP, DBP, PP, LVH, arterial damage (increased IMT, decreased ABI), and early renal damage (microalbuminuria, elevated albumin/creatinine ratio). CT-1 also correlates with increased 10-year cardiovascular risk. Multiple linear regression analysis confirmed that CT-1 was associated with arterial injury assessed by PWV, IMT, ABI, and cardiac damage evaluated by Cornell voltage duration product. Increases in plasma CT-1 are strongly related to the intensity of several parameters associated to target organ damage supporting further investigation of its diagnostic capacity as single biomarker of cardiovascular injury and risk and, possibly, of subclinical renal damage. PMID:26222851

Numerical model for the locomotion of spirilla.

PubMed

Ramia, M

1991-11-01

The swimming of trailing, leading, and bipolar spirilla (with realistic flagellar centerline geometries) is considered. A boundary element method is used to predict the instantaneous swimming velocity, counter-rotation angular velocity, and power dissipation of a given organism as functions of time and the geometry of the organism. Based on such velocities, swimming trajectories have been deduced enabling a realistic definition of mean swimming speeds. The power dissipation normalized in terms of the square of the mean swimming speed is considered to be a measure of hydrodynamic efficiency. In addition, kinematic efficiency is defined as the extent of deviation of the swimming motion from that of a previously proposed ideal corkscrew mechanism. The dependence of these efficiencies on the organism's geometry is examined giving estimates of its optimum dimensions. It is concluded that appreciable correlation exists between the two alternative definitions for many of the geometrical parameters considered. Furthermore, the organism having the deduced optimum dimensions closely resembles the real organism as experimentally observed.

Numerical model for the locomotion of spirilla

PubMed Central

Ramia, M.

1991-01-01

The swimming of trailing, leading, and bipolar spirilla (with realistic flagellar centerline geometries) is considered. A boundary element method is used to predict the instantaneous swimming velocity, counter-rotation angular velocity, and power dissipation of a given organism as functions of time and the geometry of the organism. Based on such velocities, swimming trajectories have been deduced enabling a realistic definition of mean swimming speeds. The power dissipation normalized in terms of the square of the mean swimming speed is considered to be a measure of hydrodynamic efficiency. In addition, kinematic efficiency is defined as the extent of deviation of the swimming motion from that of a previously proposed ideal corkscrew mechanism. The dependence of these efficiencies on the organism's geometry is examined giving estimates of its optimum dimensions. It is concluded that appreciable correlation exists between the two alternative definitions for many of the geometrical parameters considered. Furthermore, the organism having the deduced optimum dimensions closely resembles the real organism as experimentally observed. PMID:19431804

Pelvic floor dysfunction--does menopause duration matter?

PubMed

Trutnovsky, Gerda; Guzman-Rojas, Rodrigo; Martin, Andrew; Dietz, Hans P

2013-10-01

To explore the effect of menopause and hormone replacement therapy on pelvic organ prolapse and pelvic floor muscle function. The records of patients who attended a tertiary urogynaecological center were reviewed retrospectively. A standardised interview included menopausal age, i.e. years since last period or onset of menopausal symptoms, current or previous hormone use. The clinical examination included prolapse assessment (POP-Q) and palpation of the levator ani muscle. 4D transperineal ultrasound, supine and after voiding, was performed in all patients. Volume data sets were analysed for pelvic organ descent and measures of contractility and distensibility of the pelvic floor at a later date, blinded to all clinical data. Of 311 women seen during the inclusion period, 65% were postmenopausal. Current systemic or local hormone use was reported by 7% and 6%, respectively. 163 women (52%) reported prolapse symptoms with a mean bother of 5.7/10. Significant pelvic organ prolapse was found on clinical examination (POP-Q stage≥2) in 77%, and diagnosed on ultrasound in 61%. On multivariate analysis, controlling for calendaric age, parity and levator avulsion, there was no evidence for menopausal age as an independent predictor of any symptom and sign of pelvic organ prolapse and pelvic floor muscle function. Local oestrogen use and past or present hormone replacement therapy had no detectable effect on any pelvic floor parameter. Hormone deficiency following menopause is unlikely to play a major role in pelvic organ support and levator ani function. Hence, both do not appear to be substantially influenced by local or systemic hormone replacement therapy. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

as response to seasonal variability

PubMed

Badano, Ernesto I; Labra, Fabio A; Martínez-Pérez, Cecilia G; Vergara, Carlos H

2016-03-01

Ecologists have been largely interested in the description and understanding of the power scaling relationships between body size and abundance of organisms. Many studies have focused on estimating the exponents of these functions across taxonomic groups and spatial scales, to draw inferences about the processes underlying this pattern. The exponents of these functions usually approximate -3/4 at geographical scales, but they deviate from this value when smaller spatial extensions are considered. This has led to propose that body size-abundance relationships at small spatial scales may reflect the impact of environmental changes. This study tests this hypothesis by examining body size spectra of benthic shrimps (Decapoda: Caridea) and snails (Gastropoda) in the Tamiahua lagoon, a brackish body water located in the Eastern coast of Mexico. We mea- sured water quality parameters (dissolved oxygen, salinity, pH, water temperature, sediment organic matter and chemical oxygen demand) and sampled benthic macrofauna during three different climatic conditions of the year (cold, dry and rainy season). Given the small size of most individuals in the benthic macrofaunal samples, we used body volume, instead of weight, to estimate their body size. Body size-abundance relationships of both taxonomic groups were described by tabulating data from each season into base-2 logarithmic body size bins. In both taxonomic groups, observed frequencies per body size class in each season were standardized to yield densities (i.e., individuals/m(3)). Nonlinear regression analyses were separately performed for each taxonomic group at each season to assess whether body size spectra followed power scaling functions. Additionally, for each taxonomic group, multiple regression analyses were used to determine whether these relationships varied among seasons. Our results indicated that, while body size-abundance relationships in both taxonomic groups followed power functions, the parameters defining the shape of these relationships varied among seasons. These variations in the parameters of the body size-abundance relationships seems to be related to changes in the abundance of individuals within the different body size classes, which seems to follow the seasonal changes that occur in the environmental conditions of the lagoon. Thus, we propose that these body size-abundance relation- ships are influenced by the frequency and intensity of environmental changes affecting this ecosystem.

The myoglobin of Emperor penguin (Aptenodytes forsteri): amino acid sequence and functional adaptation to extreme conditions.

PubMed

Tamburrini, M; Romano, M; Giardina, B; di Prisco, G

1999-02-01

In the framework of a study on molecular adaptations of the oxygen-transport and storage systems to extreme conditions in Antarctic marine organisms, we have investigated the structure/function relationship in Emperor penguin (Aptenodytes forsteri) myoglobin, in search of correlation with the bird life style. In contrast with previous reports, the revised amino acid sequence contains one additional residue and 15 differences. The oxygen-binding parameters seem well adapted to the diving behaviour of the penguin and to the environmental conditions of the Antarctic habitat. Addition of lactate has no major effect on myoglobin oxygenation over a large temperature range. Therefore, metabolic acidosis does not impair myoglobin function under conditions of prolonged physical effort, such as diving.

Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning.

PubMed

Cole, Daniel J; Vilseck, Jonah Z; Tirado-Rives, Julian; Payne, Mike C; Jorgensen, William L

2016-05-10

Molecular mechanics force fields, which are commonly used in biomolecular modeling and computer-aided drug design, typically treat nonbonded interactions using a limited library of empirical parameters that are developed for small molecules. This approach does not account for polarization in larger molecules or proteins, and the parametrization process is labor-intensive. Using linear-scaling density functional theory and atoms-in-molecule electron density partitioning, environment-specific charges and Lennard-Jones parameters are derived directly from quantum mechanical calculations for use in biomolecular modeling of organic and biomolecular systems. The proposed methods significantly reduce the number of empirical parameters needed to construct molecular mechanics force fields, naturally include polarization effects in charge and Lennard-Jones parameters, and scale well to systems comprised of thousands of atoms, including proteins. The feasibility and benefits of this approach are demonstrated by computing free energies of hydration, properties of pure liquids, and the relative binding free energies of indole and benzofuran to the L99A mutant of T4 lysozyme.

Spatio-temporal models of mental processes from fMRI.

PubMed

Janoos, Firdaus; Machiraju, Raghu; Singh, Shantanu; Morocz, Istvan Ákos

2011-07-15

Understanding the highly complex, spatially distributed and temporally organized phenomena entailed by mental processes using functional MRI is an important research problem in cognitive and clinical neuroscience. Conventional analysis methods focus on the spatial dimension of the data discarding the information about brain function contained in the temporal dimension. This paper presents a fully spatio-temporal multivariate analysis method using a state-space model (SSM) for brain function that yields not only spatial maps of activity but also its temporal structure along with spatially varying estimates of the hemodynamic response. Efficient algorithms for estimating the parameters along with quantitative validations are given. A novel low-dimensional feature-space for representing the data, based on a formal definition of functional similarity, is derived. Quantitative validation of the model and the estimation algorithms is provided with a simulation study. Using a real fMRI study for mental arithmetic, the ability of this neurophysiologically inspired model to represent the spatio-temporal information corresponding to mental processes is demonstrated. Moreover, by comparing the models across multiple subjects, natural patterns in mental processes organized according to different mental abilities are revealed. Copyright © 2011 Elsevier Inc. All rights reserved.

Fetal programming as a predictor of adult health or disease: the need to reevaluate fetal heart function.

PubMed

Miranda, Joana O; Ramalho, Carla; Henriques-Coelho, Tiago; Areias, José Carlos

2017-11-01

Epidemiologic and experimental evidence suggests that adverse stimuli during critical periods in utero permanently alters organ structure and function and may have persistent consequences for the long-term health of the offspring. Fetal hypoxia, maternal malnutrition, or ventricular overloading are among the major adverse conditions that can compromise cardiovascular development in early life. With the heart as a central organ in fetal adaptive mechanisms, a deeper understanding of the fetal cardiovascular physiology and of the echocardiographic tools to assess both normal and stressed pregnancies would give precious information on fetal well-being and hopefully may help in early identification of special risk groups for cardiovascular diseases later in life. Assessment of cardiac function in the fetus represents an additional challenge when comparing to children and adults, requiring advanced training and a critical approach to properly acquire and interpret functional parameters. This review summarizes the basic fetal cardiovascular physiology and the main differences from the mature postnatal circulation, provides an overview of the particularities of echocardiographic evaluation in the fetus, and finally proposes an integrated view of in utero programming of cardiovascular diseases later in life, highlighting priorities for future clinical research.

Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach

PubMed Central

Chen, Ting; Zheng, Lei; Yuan, Jie; An, Zhongfu; Chen, Runfeng; Tao, Ye; Li, Huanhuan; Xie, Xiaoji; Huang, Wei

2015-01-01

Developing organic optoelectronic materials with desired photophysical properties has always been at the forefront of organic electronics. The variation of singlet-triplet splitting (ΔEST) can provide useful means in modulating organic excitons for diversified photophysical phenomena, but controlling ΔEST in a desired manner within a large tuning scope remains a daunting challenge. Here, we demonstrate a convenient and quantitative approach to relate ΔEST to the frontier orbital overlap and separation distance via a set of newly developed parameters using natural transition orbital analysis to consider whole pictures of electron transitions for both the lowest singlet (S1) and triplet (T1) excited states. These critical parameters revealed that both separated S1 and T1 states leads to ultralow ΔEST; separated S1 and overlapped T1 states results in small ΔEST; and both overlapped S1 and T1 states induces large ΔEST. Importantly, we realized a widely-tuned ΔEST in a range from ultralow (0.0003 eV) to extra-large (1.47 eV) via a subtle symmetric control of triazine molecules, based on time-dependent density functional theory calculations combined with experimental explorations. These findings provide keen insights into ΔEST control for feasible excited state tuning, offering valuable guidelines for the construction of molecules with desired optoelectronic properties. PMID:26161684

Hierarchical Feedback Modules and Reaction Hubs in Cell Signaling Networks

PubMed Central

Xu, Jianfeng; Lan, Yueheng

2015-01-01

Despite much effort, identification of modular structures and study of their organizing and functional roles remain a formidable challenge in molecular systems biology, which, however, is essential in reaching a systematic understanding of large-scale cell regulation networks and hence gaining capacity of exerting effective interference to cell activity. Combining graph theoretic methods with available dynamics information, we successfully retrieved multiple feedback modules of three important signaling networks. These feedbacks are structurally arranged in a hierarchical way and dynamically produce layered temporal profiles of output signals. We found that global and local feedbacks act in very different ways and on distinct features of the information flow conveyed by signal transduction but work highly coordinately to implement specific biological functions. The redundancy embodied with multiple signal-relaying channels and feedback controls bestow great robustness and the reaction hubs seated at junctions of different paths announce their paramount importance through exquisite parameter management. The current investigation reveals intriguing general features of the organization of cell signaling networks and their relevance to biological function, which may find interesting applications in analysis, design and control of bio-networks. PMID:25951347

40 CFR 437.46 - Pretreatment standards for existing sources (PSES)

Code of Federal Regulations, 2011 CFR

2011-07-01

....218 0.0662 Zinc 2.87 0.641 Organic Parameters Bis(2-ethylhexyl) phthalate 0.267 0.158 Carbazole 0.392... Titanium 0.0947 0.0618 Vanadium 0.218 0.0662 Zinc 2.87 0.641 Organic Parameters Bis(2-ethylhexyl) phthalate... Tin 0.249 0.146 Zinc 6.95 4.46 Organic Parameters Bis (2-ethylhexyl) phthalate 0.267 0.158 Carbazole 0...

40 CFR 437.47 - Pretreatment standards for new sources (PSNS).

Code of Federal Regulations, 2014 CFR

2014-07-01

....641 Organic Parameters Bis(2-ethylhexyl) phthalate 0.215 0.101 Carbazole 0.598 0.276 o-Cresol 1.92 0....641 Organic Parameters Bis (2-ethylhexyl) phthalate 0.215 0.101 Carbazole 0.598 0.276 n-Decane 0.948 0... Organic Parameters Bis(2-ethylhexyl) phthalate 0.215 0.101 Carbazole 0.598 0.276 o-Cresol 1.92 0.561 p...

40 CFR 437.47 - Pretreatment standards for new sources (PSNS).

Code of Federal Regulations, 2012 CFR

2012-07-01

....641 Organic Parameters Bis(2-ethylhexyl) phthalate 0.215 0.101 Carbazole 0.598 0.276 o-Cresol 1.92 0....641 Organic Parameters Bis (2-ethylhexyl) phthalate 0.215 0.101 Carbazole 0.598 0.276 n-Decane 0.948 0... Organic Parameters Bis(2-ethylhexyl) phthalate 0.215 0.101 Carbazole 0.598 0.276 o-Cresol 1.92 0.561 p...

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite.

PubMed

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints.

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite

PubMed Central

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints. PMID:28772382

Bootstrap percolation on spatial networks

NASA Astrophysics Data System (ADS)

Gao, Jian; Zhou, Tao; Hu, Yanqing

2015-10-01

Bootstrap percolation is a general representation of some networked activation process, which has found applications in explaining many important social phenomena, such as the propagation of information. Inspired by some recent findings on spatial structure of online social networks, here we study bootstrap percolation on undirected spatial networks, with the probability density function of long-range links’ lengths being a power law with tunable exponent. Setting the size of the giant active component as the order parameter, we find a parameter-dependent critical value for the power-law exponent, above which there is a double phase transition, mixed of a second-order phase transition and a hybrid phase transition with two varying critical points, otherwise there is only a second-order phase transition. We further find a parameter-independent critical value around -1, about which the two critical points for the double phase transition are almost constant. To our surprise, this critical value -1 is just equal or very close to the values of many real online social networks, including LiveJournal, HP Labs email network, Belgian mobile phone network, etc. This work helps us in better understanding the self-organization of spatial structure of online social networks, in terms of the effective function for information spreading.

Parastar insecticide induced changes in reproductive parameters and testicular oxidative stress biomarkers in Wistar male rats.

PubMed

Nantia, Edouard Akono; Kada, Antoine S; Manfo, Faustin Pt; Tangu, Nehemiah N; Mbifung, Kaghou M; Mbouobda, Desire H; Kenfack, Augustave

2018-07-01

Parastar is an insecticide formulation of lambda-cyhalothrin and imidacloprid, and it is largely used for crop production improvement in Santa, North West Region of Cameroon. This study aimed at evaluating the effects of Parastar on reproductive parameters and testicular oxidative stress in adult albino Wistar male rats. Twenty rats (154 g ± 28 g) were divided into four groups of five animals each and treated daily with either distilled water (10 mL/kg), 1.25, 2.49 or 6.23 mg/kg of Parastar, respectively, for 35 days. After treatment, animal reproductive function was evaluated through fertility tests, sperm characteristics, testosterone levels and organ weights, while oxidative stress biomarkers were determined on testicular homogenates. Parastar administration resulted into increased seminal vesicle and prostate weights, while body weight remained unaffected. Parastar dose-dependently reduced sperm density and mobility, and the highest dose decreased serum testosterone levels. Parastar also modulated stress biomarkers with increased thiobarbituric acid reactive substances levels, decreased glutathione levels and inhibition of catalase and superoxide dismutase activities. In conclusion, Parastar negatively affected male reproductive function through alteration of testosterone levels, sperm parameters and induction of oxidative stress in rats.

Charge relaxation and dynamics in organic semiconductors

NASA Astrophysics Data System (ADS)

Kwok, H. L.

2006-08-01

Charge relaxation in dispersive materials is often described in terms of the stretched exponential function (Kohlrausch law). The process can be explained using a "hopping" model which in principle, also applies to charge transport such as current conduction. This work analyzed reported transient photoconductivity data on functionalized pentacene single crystals using a geometric hopping model developed by B. Sturman et al and extracted values (or range of values) on the materials parameters relevant to charge relaxation as well as charge transport. Using the correlated disorder model (CDM), we estimated values of the carrier mobility for the pentacene samples. From these results, we observed the following: i) the transport site density appeared to be of the same order of magnitude as the carrier density; ii) it was possible to extract lower bound values on the materials parameters linked to the transport process; and iii) by matching the simulated charge decay to the transient photoconductivity data, we were able to refine estimates on the materials parameters. The data also allowed us to simulate the stretched exponential decay. Our observations suggested that the stretching index and the carrier mobility were related. Physically, such interdependence would allow one to demarcate between localized molecular interactions and distant coulomb interactions.

The effect of dermal benzophenone-2 administration on immune system activity, hypothalamic-pituitary-thyroid axis activity and hematological parameters in male Wistar rats.

PubMed

Broniowska, Żaneta; Ślusarczyk, Joanna; Starek-Świechowicz, Beata; Trojan, Ewa; Pomierny, Bartosz; Krzyżanowska, Weronika; Basta-Kaim, Agnieszka; Budziszewska, Bogusława

2018-04-13

Benzophenones used as UV filters, in addition to the effects on the skin, can be absorbed into the blood and affect the function of certain organs. So far, their effects on the sex hormone receptors and gonadal function have been studied, but not much is known about their potential action on other systems. The aim of the present study was to determine the effect of benzophenone-2 (BP-2) on immune system activity, hypothalamic-pituitary-thyroid (HPT) axis activity and hematological parameters. BP-2 was administered dermally, twice daily at a dose of 100 mg/kg for 4-weeks to male Wistar rats. Immunological and hematological parameters and HPT axis activity were assayed 24 h after the last administration. It was found that BP-2 did not change relative weights of the thymus and spleen and did not exert toxic effect on tymocytes and splenocytes. However, this compound increased proliferative activity of splenocytes, enhanced metabolic activity of splenocytes and thymocytes and nitric oxide production of these cells. In animals exposed to BP-2, the HPT axis activity was increased, as evidenced by reduction in the thyroid stimulating hormone (TRH) level and increase in free fraction of triiodothyronine (fT3) and thyroxin (fT4) in blood. BP-2 had no effect on leukocyte, erythrocyte and platelet counts or on morphology and hemoglobin content in erythrocytes. The conducted research showed that dermal, sub-chronic BP-2 administration evoked hyperthyroidism, increased activity or function of the immune cells but did not affect hematological parameters. We suggest that topical administration of BP-2 leading to a prolonged elevated BP-2 level in blood causes hyperthyroidism, which in turn may be responsible for the increased immune cell activity or function. However, only future research can explain the mechanism and functional importance of the changes in thyroid hormones and immunological parameters observed after exposure to BP-2. Copyright © 2018 Elsevier B.V. All rights reserved.

Continuous quality improvement for the clinical decision unit.

PubMed

Mace, Sharon E

2004-01-01

Clinical decision units (CDUs) are a relatively new and growing area of medicine in which patients undergo rapid evaluation and treatment. Continuous quality improvement (CQI) is important for the establishment and functioning of CDUs. CQI in CDUs has many advantages: better CDU functioning, fulfillment of Joint Commission on Accreditation of Healthcare Organizations mandates, greater efficiency/productivity, increased job satisfaction, better performance improvement, data availability, and benchmarking. Key elements include a database with volume indicators, operational policies, clinical practice protocols (diagnosis specific/condition specific), monitors, benchmarks, and clinical pathways. Examples of these important parameters are given. The CQI process should be individualized for each CDU and hospital.

Parasitism alters three power laws of scaling in a metazoan community: Taylor’s law, density-mass allometry, and variance-mass allometry

PubMed Central

Lagrue, Clément; Poulin, Robert; Cohen, Joel E.

2015-01-01

How do the lifestyles (free-living unparasitized, free-living parasitized, and parasitic) of animal species affect major ecological power-law relationships? We investigated this question in metazoan communities in lakes of Otago, New Zealand. In 13,752 samples comprising 1,037,058 organisms, we found that species of different lifestyles differed in taxonomic distribution and body mass and were well described by three power laws: a spatial Taylor’s law (the spatial variance in population density was a power-law function of the spatial mean population density); density-mass allometry (the spatial mean population density was a power-law function of mean body mass); and variance-mass allometry (the spatial variance in population density was a power-law function of mean body mass). To our knowledge, this constitutes the first empirical confirmation of variance-mass allometry for any animal community. We found that the parameter values of all three relationships differed for species with different lifestyles in the same communities. Taylor's law and density-mass allometry accurately predicted the form and parameter values of variance-mass allometry. We conclude that species of different lifestyles in these metazoan communities obeyed the same major ecological power-law relationships but did so with parameters specific to each lifestyle, probably reflecting differences among lifestyles in population dynamics and spatial distribution. PMID:25550506

Parasitism alters three power laws of scaling in a metazoan community: Taylor's law, density-mass allometry, and variance-mass allometry.

PubMed

Lagrue, Clément; Poulin, Robert; Cohen, Joel E

2015-02-10

How do the lifestyles (free-living unparasitized, free-living parasitized, and parasitic) of animal species affect major ecological power-law relationships? We investigated this question in metazoan communities in lakes of Otago, New Zealand. In 13,752 samples comprising 1,037,058 organisms, we found that species of different lifestyles differed in taxonomic distribution and body mass and were well described by three power laws: a spatial Taylor's law (the spatial variance in population density was a power-law function of the spatial mean population density); density-mass allometry (the spatial mean population density was a power-law function of mean body mass); and variance-mass allometry (the spatial variance in population density was a power-law function of mean body mass). To our knowledge, this constitutes the first empirical confirmation of variance-mass allometry for any animal community. We found that the parameter values of all three relationships differed for species with different lifestyles in the same communities. Taylor's law and density-mass allometry accurately predicted the form and parameter values of variance-mass allometry. We conclude that species of different lifestyles in these metazoan communities obeyed the same major ecological power-law relationships but did so with parameters specific to each lifestyle, probably reflecting differences among lifestyles in population dynamics and spatial distribution.

Soil organic matter quantity and quality shape microbial community compositions of subtropical broadleaved forests.

PubMed

Ding, Junjun; Zhang, Yuguang; Wang, Mengmeng; Sun, Xin; Cong, Jing; Deng, Ye; Lu, Hui; Yuan, Tong; Van Nostrand, Joy D; Li, Diqiang; Zhou, Jizhong; Yang, Yunfeng

2015-10-01

As two major forest types in the subtropics, broadleaved evergreen and broadleaved deciduous forests have long interested ecologists. However, little is known about their belowground ecosystems despite their ecological importance in driving biogeochemical cycling. Here, we used Illumina MiSeq sequencing targeting 16S rRNA gene and a microarray named GeoChip targeting functional genes to analyse microbial communities in broadleaved evergreen and deciduous forest soils of Shennongjia Mountain of Central China, a region known as 'The Oriental Botanic Garden' for its extraordinarily rich biodiversity. We observed higher plant diversity and relatively richer nutrients in the broadleaved evergreen forest than the deciduous forest. In odds to our expectation that plant communities shaped soil microbial communities, we found that soil organic matter quantity and quality, but not plant community parameters, were the best predictors of microbial communities. Actinobacteria, a copiotrophic phylum, was more abundant in the broadleaved evergreen forest, while Verrucomicrobia, an oligotrophic phylum, was more abundant in the broadleaved deciduous forest. The density of the correlation network of microbial OTUs was higher in the broadleaved deciduous forest but its modularity was smaller, reflecting lower resistance to environment changes. In addition, keystone OTUs of the broadleaved deciduous forest were mainly oligotrophic. Microbial functional genes associated with recalcitrant carbon degradation were also more abundant in the broadleaved deciduous forests, resulting in low accumulation of organic matters. Collectively, these findings revealed the important role of soil organic matter in shaping microbial taxonomic and functional traits. © 2015 John Wiley & Sons Ltd.

Soil ecology and agricultural technology; An integrated approach towards improved soil management for sustainable farming

NASA Astrophysics Data System (ADS)

Pulleman, Mirjam; Pérès, Guénola; Crittenden, Stephen; Heddadj, Djilali; Sukkel, Wijnand

2014-05-01

Intensive arable food production systems are in need of smart solutions that combine ecological knowledge and farm technology to maximize yields while protecting natural resources. The huge diversity of soil organisms and their interactions is of crucial importance for soil functions and ecosystem services, such as organic matter incorporation and break down, nutrient mineralization, soil structure formation, water regulation and disease and pest control. Soil management decisions that take into account the soil biodiversity and associated functions are thus essential to (i) maintain soil productivity in the long term, (ii) reduce the dependency on external inputs and non-renewables such as fossil fuels, and (iii) make agroecosystems more resilient against biotic and abiotic stresses. Organic farming systems and reduced tillage systems are two approaches that aim to increase soil biodiversity and general soil quality, through improved management of organic matter but differ in their emphasis on the use of chemical inputs for crop protection or soil disturbance, respectively. In North-western Europe experience with and knowledge of reduced tillage systems is still scarce, both in conventional and organic farming. Our study targeted both conventional and organic farming and aimed at 1) documenting reduced tillage practices within different agroecological contexts in NW Europe; 2) evaluating the effects of reduced tillage systems on soil biodiversity and soil ecosystem services; 3) increase understanding of agroecological factors that determine trade-offs between different ecosystem services. Earthworm species and nematode taxa were selected as indicator organisms to be studied for their known response to soil management and effects on soil functions. Additionally, soil organic matter, physical soil parameters and processes, and crop yields have been measured across multiple sites. Data have been collected over several cropping seasons in long term field experiments and farmers field sites in France (Brittanny) and the Netherlands (Flevopolder, Hoeksche Waard). The observed diversity in earthworm communities in terms of species, abundance, and trait diversity could be related to soil quality and soil functioning. Data integration across sites allows for the evaluation of the impact of reduced tillage systems on the provision of ecosystem services via proxies such as crop yields, soil organic matter content, aggregate stability and water infiltration. We will present results of this collaborative work to shed light on some of the benefits and trade-offs associated with reduced tillage systems in NW Europe, and in particular on the role of soil organism groups for soil functioning and crop performance. Finally, scope for improvement of soil management based on novel farm technologies and farming system designs will be discussed.

SU-E-J-164: Estimation of DVH Variation for PTV Due to Interfraction Organ Motion in Prostate VMAT Using Gaussian Error Function

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

Lewis, C; Jiang, R; Chow, J

2015-06-15

Purpose: We developed a method to predict the change of DVH for PTV due to interfraction organ motion in prostate VMAT without repeating the CT scan and treatment planning. The method is based on a pre-calculated patient database with DVH curves of PTV modelled by the Gaussian error function (GEF). Methods: For a group of 30 patients with different prostate sizes, their VMAT plans were recalculated by shifting their PTVs 1 cm with 10 increments in the anterior-posterior, left-right and superior-inferior directions. The DVH curve of PTV in each replan was then fitted by the GEF to determine parameters describingmore » the shape of curve. Information of parameters, varying with the DVH change due to prostate motion for different prostate sizes, was analyzed and stored in a database of a program written by MATLAB. Results: To predict a new DVH for PTV due to prostate interfraction motion, prostate size and shift distance with direction were input to the program. Parameters modelling the DVH for PTV were determined based on the pre-calculated patient dataset. From the new parameters, DVH curves of PTVs with and without considering the prostate motion were plotted for comparison. The program was verified with different prostate cases involving interfraction prostate shifts and replans. Conclusion: Variation of DVH for PTV in prostate VMAT can be predicted using a pre-calculated patient database with DVH curve fitting. The computing time is fast because CT rescan and replan are not required. This quick DVH estimation can help radiation staff to determine if the changed PTV coverage due to prostate shift is tolerable in the treatment. However, it should be noted that the program can only consider prostate interfraction motions along three axes, and is restricted to prostate VMAT plan using the same plan script in the treatment planning system.« less

An improved Rosetta pedotransfer function and evaluation in earth system models

NASA Astrophysics Data System (ADS)

Zhang, Y.; Schaap, M. G.

2017-12-01

Soil hydraulic parameters are often difficult and expensive to measure, leading to the pedotransfer functions (PTFs) an alternative to predict those parameters. Rosetta (Schaap et al., 2001, denoted as Rosetta1) are widely used PTFs, which is based on artificial neural network (ANN) analysis coupled with the bootstrap re-sampling method, allowing the estimation of van Genuchten water retention parameters (van Genuchten, 1980, abbreviated here as VG), saturated hydraulic conductivity (Ks), as well as their uncertainties. We present an improved hierarchical pedotransfer functions (Rosetta3) that unify the VG water retention and Ks submodels into one, thus allowing the estimation of uni-variate and bi-variate probability distributions of estimated parameters. Results show that the estimation bias of moisture content was reduced significantly. Rosetta1 and Posetta3 were implemented in the python programming language, and the source code are available online. Based on different soil water retention equations, there are diverse PTFs used in different disciplines of earth system modelings. PTFs based on Campbell [1974] or Clapp and Hornberger [1978] are frequently used in land surface models and general circulation models, while van Genuchten [1980] based PTFs are more widely used in hydrology and soil sciences. We use an independent global scale soil database to evaluate the performance of diverse PTFs used in different disciplines of earth system modelings. PTFs are evaluated based on different soil characteristics and environmental characteristics, such as soil textural data, soil organic carbon, soil pH, as well as precipitation and soil temperature. This analysis provides more quantitative estimation error information for PTF predictions in different disciplines of earth system modelings.

Phylogenetic comparative analysis of electric communication signals in ghost knifefishes (Gymnotiformes: Apteronotidae).

PubMed

Turner, Cameron R; Derylo, Maksymilian; de Santana, C David; Alves-Gomes, José A; Smith, G Troy

2007-12-01

Electrocommunication signals in electric fish are diverse, easily recorded and have well-characterized neural control. Two signal features, the frequency and waveform of the electric organ discharge (EOD), vary widely across species. Modulations of the EOD (i.e. chirps and gradual frequency rises) also function as active communication signals during social interactions, but they have been studied in relatively few species. We compared the electrocommunication signals of 13 species in the largest gymnotiform family, Apteronotidae. Playback stimuli were used to elicit chirps and rises. We analyzed EOD frequency and waveform and the production and structure of chirps and rises. Species diversity in these signals was characterized with discriminant function analyses, and correlations between signal parameters were tested with phylogenetic comparative methods. Signals varied markedly across species and even between congeners and populations of the same species. Chirps and EODs were particularly evolutionarily labile, whereas rises differed little across species. Although all chirp parameters contributed to species differences in these signals, chirp amplitude modulation, frequency modulation (FM) and duration were particularly diverse. Within this diversity, however, interspecific correlations between chirp parameters suggest that mechanistic trade-offs may shape some aspects of signal evolution. In particular, a consistent trade-off between FM and EOD amplitude during chirps is likely to have influenced the evolution of chirp structure. These patterns suggest that functional or mechanistic linkages between signal parameters (e.g. the inability of electromotor neurons increase their firing rates without a loss of synchrony or amplitude of action potentials) constrain the evolution of signal structure.

Current-voltage characteristics of dendrimer light-emitting diodes

NASA Astrophysics Data System (ADS)

Stevenson, S. G.; Samuel, I. D. W.; Staton, S. V.; Knights, K. A.; Burn, P. L.; Williams, J. H. T.; Walker, Alison B.

2010-09-01

We have investigated current-voltage (I-V) characteristics of unipolar and bipolar organic diodes that use phosphorescent dendrimers as the emissive organic layer. Through simulation of the measured I-V characteristics we were able to determine the device parameters for each device structure studied, leading to a better understanding of injection and transport behaviour in these devices. It was found that the common practice of assuming injection barriers are equal to the difference between bare electrode work functions and molecular orbital levels is unsuitable for the devices considered here, particularly for gold contacts. The studies confirm that different aromatic units in the dendrons can give significant differences in the charge transporting properties of the dendrimers.

The effect of temperature and gas flow on the physical vapour growth of mm-scale rubrene crystals for organic FETs

NASA Astrophysics Data System (ADS)

Ullah, A. R.; Micolich, A. P.; Cochrane, J. W.; Hamilton, A. R.

2007-12-01

There has recently been significant interest in rubrene single-crystals grown using physical vapour transport techniques due to their application in high-mobility organic field-effect transistor (OFET) devices. Despite numerous studies of the electrical properties of such crystals, there has only been one study to date focussing on characterising and optimising the crystal growth as a function of the relevant growth parameters. Here we present a study of the dependence of the yield of useful crystals (defined as crystals with at least one dimension of order 1 mm) on the temperature and volume flow of carrier gas used in the physical vapour growth process.

An analytical model for bio-electronic organic field-effect transistor sensors

NASA Astrophysics Data System (ADS)

Macchia, Eleonora; Giordano, Francesco; Magliulo, Maria; Palazzo, Gerardo; Torsi, Luisa

2013-09-01

A model for the electrical characteristics of Functional-Bio-Interlayer Organic Field-Effect Transistors (FBI-OFETs) electronic sensors is here proposed. Specifically, the output current-voltage characteristics of a streptavidin (SA) embedding FBI-OFET are modeled by means of the analytical equations of an enhancement mode p-channel OFET modified according to an ad hoc designed equivalent circuit that is also independently simulated with pspice. An excellent agreement between the model and the experimental current-voltage output characteristics has been found upon exposure to 5 nM of biotin. A good agreement is also found with the SA OFET parameters graphically extracted from the device transfer I-V curves.

Dual chamber stent prevents organ malperfusion in a model of donation after cardiac death.

PubMed

Tillman, Bryan W; Chun, Youngjae; Cho, Sung Kwon; Chen, Yanfei; Liang, Nathan; Maul, Timothy; Demetris, Anthony; Gu, Xinzhu; Wagner, William R; Tevar, Amit D

2016-10-01

The paradigm for donation after cardiac death subjects donor organs to ischemic injury. A dual-chamber organ perfusion stent would maintain organ perfusion without affecting natural cardiac death. A center lumen allows uninterrupted cardiac blood flow, while an external chamber delivers oxygenated blood to the visceral vessels. A prototype organ perfusion stent was constructed from commercial stents. In a porcine model, the organ perfusion stent was deployed, followed by a simulated agonal period. Oxygenated blood perfused the external stent chamber. Organ perfusion was compared between controls (n = 3) and organ perfusion stent (n = 6). Finally, a custom, nitinol, dual chamber organ perfusion stent was fabricated using a retrievable "petal and stem" design. Endovascular organ perfusion stent deployment achieved visceral isolation without adverse impact on cardiac parameters. Visceral oxygen delivery was 4.8-fold greater compared with controls. During the agonal period, organs in organ perfusion stent-treated animals appeared well perfused in contrast with the malperfused controls. A custom nitinol and polyurethane organ perfusion stent was recaptured easily with simple sheath advancement. An organ perfusion stent maintained organ perfusion during the agonal phase in a porcine model of donation after cardiac death organ donation without adversely affecting cardiac function. Ultimately, the custom retrievable design of this study may help resolve the critical shortage of donor organs for transplant. Copyright © 2016 Elsevier Inc. All rights reserved.

Beyond Description in Interpersonal Construct Validation: Methodological Advances in the Circumplex Structural Summary Approach.

PubMed

Zimmermann, Johannes; Wright, Aidan G C

2017-01-01

The interpersonal circumplex is a well-established structural model that organizes interpersonal functioning within the two-dimensional space marked by dominance and affiliation. The structural summary method (SSM) was developed to evaluate the interpersonal nature of other constructs and measures outside the interpersonal circumplex. To date, this method has been primarily descriptive, providing no way to draw inferences when comparing SSM parameters across constructs or groups. We describe a newly developed resampling-based method for deriving confidence intervals, which allows for SSM parameter comparisons. In a series of five studies, we evaluated the accuracy of the approach across a wide range of possible sample sizes and parameter values, and demonstrated its utility for posing theoretical questions on the interpersonal nature of relevant constructs (e.g., personality disorders) using real-world data. As a result, the SSM is strengthened for its intended purpose of construct evaluation and theory building. © The Author(s) 2015.

Experimental analysis of green roof substrate detention characteristics.

PubMed

Yio, Marcus H N; Stovin, Virginia; Werdin, Jörg; Vesuviano, Gianni

2013-01-01

Green roofs may make an important contribution to urban stormwater management. Rainfall-runoff models are required to evaluate green roof responses to specific rainfall inputs. The roof's hydrological response is a function of its configuration, with the substrate - or growing media - providing both retention and detention of rainfall. The objective of the research described here is to quantify the detention effects due to green roof substrates, and to propose a suitable hydrological modelling approach. Laboratory results from experimental detention tests on green roof substrates are presented. It is shown that detention increases with substrate depth and as a result of increasing substrate organic content. Model structures based on reservoir routing are evaluated, and it is found that a one-parameter reservoir routing model coupled with a parameter that describes the delay to start of runoff best fits the observed data. Preliminary findings support the hypothesis that the reservoir routing parameter values can be defined from the substrate's physical characteristics.

The Hindmarsh-Rose neuron model: bifurcation analysis and piecewise-linear approximations.

PubMed

Storace, Marco; Linaro, Daniele; de Lange, Enno

2008-09-01

This paper provides a global picture of the bifurcation scenario of the Hindmarsh-Rose model. A combination between simulations and numerical continuations is used to unfold the complex bifurcation structure. The bifurcation analysis is carried out by varying two bifurcation parameters and evidence is given that the structure that is found is universal and appears for all combinations of bifurcation parameters. The information about the organizing principles and bifurcation diagrams are then used to compare the dynamics of the model with that of a piecewise-linear approximation, customized for circuit implementation. A good match between the dynamical behaviors of the models is found. These results can be used both to design a circuit implementation of the Hindmarsh-Rose model mimicking the diversity of neural response and as guidelines to predict the behavior of the model as well as its circuit implementation as a function of parameters. (c) 2008 American Institute of Physics.

[Ethical problems in organ transplantation].

PubMed

Bosshard, Georg

2009-08-01

Since the early 1960s transplantation surgery has rapidly developed into a flagship technique of modern high-tech medicine with convincing therapeutic success. However, transplantation surgery also raises a number of serious ethical issues. The majority of solid organ transplants are procured from so-called brain-dead donors, i.e., from individuals with irreversible loss of all brain functions. This imposes the question whether and how the well-defined irreversible brain death can be equated with the death of an individual. The distribution of organs from brain-dead donors raises additional ethical questions and concerns. In the face of an increasing shortage of donor organs, what are the best criteria for setting priorities among the recipients? Is it urgency, need, or cost-effectiveness of the transplantation? And how can these parameters be appropriately defined? Moreover, as living organ donation (kidney, liver) becomes rife we are faced with the question of what voluntariness means in such exceptional conditions and how voluntariness can be adequately assessed. Finally, serious ethical concerns evolve from the so-called 'transplant tourism' and 'organ trafficking', accounting for approximately 5 to 10 % of all kidney transplantations world-wide.

Statistical Analysis of Organ Morphometric Parameters and Weights in South Iranian Adult Autopsies.

PubMed

Gholamzadeh, Saeid; Zarenezhad, Mohammad; Montazeri, Mahmoud; Zareikordshooli, Marzieh; Sadeghi, Ghazaleh; Malekpour, Abdorrasoul; Hoseni, Sanaz; Bahrani, Mohammadreza; Hajatmand, Razieh

2017-05-01

Organ weight is one important indicator to discern normal from abnormal condition in forensic pathology as well as in clinical medicine. The present study aimed to investigate morphometric parameters and organ weights of southern Iranian adults, which can be fundamental sources to be compared to abnormal cases.Morphometric parameters and weights of 6 organs (heart, liver, kidney, spleen, appendix, and brain), which were harvested from 501 southern Iranian adults (385 males and 116 females) during ordinary postmortem examination, were measured.All the organs were heavier in males than in females. Heart, brain, spleen, and right kidney were significantly heavier in males compared to females, but no significant difference was observed between the 2 sexes regarding the weights of the rest of the organs. Moreover, brain and heart became heavier as one got older and most organs were heavier in middle-aged individuals compared to other age groups. Furthermore, various types of correlations were observed between different organs' weights and body parameters.These results can be useful anatomical data for autopsy investigations, clinical practices, and research in southern Iran.

Improved AIOMFAC model parameterisation of the temperature dependence of activity coefficients for aqueous organic mixtures

NASA Astrophysics Data System (ADS)

Ganbavale, G.; Zuend, A.; Marcolli, C.; Peter, T.

2015-01-01

This study presents a new, improved parameterisation of the temperature dependence of activity coefficients in the AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) model applicable for aqueous as well as water-free organic solutions. For electrolyte-free organic and organic-water mixtures the AIOMFAC model uses a group-contribution approach based on UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients). This group-contribution approach explicitly accounts for interactions among organic functional groups and between organic functional groups and water. The previous AIOMFAC version uses a simple parameterisation of the temperature dependence of activity coefficients, aimed to be applicable in the temperature range from ~ 275 to ~ 400 K. With the goal to improve the description of a wide variety of organic compounds found in atmospheric aerosols, we extend the AIOMFAC parameterisation for the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon to atmospherically relevant low temperatures. To this end we introduce a new parameterisation for the temperature dependence. The improved temperature dependence parameterisation is derived from classical thermodynamic theory by describing effects from changes in molar enthalpy and heat capacity of a multi-component system. Thermodynamic equilibrium data of aqueous organic and water-free organic mixtures from the literature are carefully assessed and complemented with new measurements to establish a comprehensive database, covering a wide temperature range (~ 190 to ~ 440 K) for many of the functional group combinations considered. Different experimental data types and their processing for the estimation of AIOMFAC model parameters are discussed. The new AIOMFAC parameterisation for the temperature dependence of activity coefficients from low to high temperatures shows an overall improvement of 28% in comparison to the previous model version, when both versions are compared to our database of experimentally determined activity coefficients and related thermodynamic data. When comparing the previous and new AIOMFAC model parameterisations to the subsets of experimental data with all temperatures below 274 K or all temperatures above 322 K (i.e. outside a 25 K margin of the reference temperature of 298 K), applying the new parameterisation leads to 37% improvement in each of the two temperature ranges considered. The new parameterisation of AIOMFAC agrees well with a large number of experimental data sets. Larger model-measurement discrepancies were found particularly for some of the systems containing multi-functional organic compounds. The affected systems were typically also poorly represented at room temperature and further improvements will be necessary to achieve better performance of AIOMFAC in these cases (assuming the experimental data are reliable). The performance of the AIOMFAC parameterisation is typically better for systems containing relatively small organic compounds and larger deviations may occur in mixtures where molecules of high structural complexity such as highly oxygenated compounds or molecules of high molecular mass (e.g. oligomers) prevail. Nevertheless, the new parameterisation enables the calculation of activity coefficients for a wide variety of different aqueous/water-free organic solutions down to the low temperatures present in the upper troposphere.

Design, Fabrication, Characterization and Modeling of Integrated Functional Materials

DTIC Science & Technology

2012-10-01

films. The successful optimization of the PZT thin film growth parameters allowed us to set the stage for doping PZT with rare earth elements...Lanthanum (La)-doped PZT (PLZT) (where Pb2+ is substituted by La3+), has a dramatic enhancement in the piezoelectric properties. There have been only a...few recent reports on the growth of La- PZT films. However, most of the reports were based on chemical routes such as metal organic decomposition

Diamond turning of glass

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

Blackley, W.S.; Scattergood, R.O.

A new research initiative will be undertaken to investigate the critical cutting depth concepts for single point diamond turning of brittle, amorphous materials. Inorganic glasses and a brittle, thermoset polymer (organic glass) are the principal candidate materials. Interrupted cutting tests similar to those done in earlier research are Ge and Si crystals will be made to obtain critical depth values as a function of machining parameters. The results will provide systematic data with which to assess machining performance on glasses and amorphous materials

Database Constraints Applied to Metabolic Pathway Reconstruction Tools

PubMed Central

Vilaplana, Jordi; Solsona, Francesc; Teixido, Ivan; Usié, Anabel; Karathia, Hiren; Alves, Rui; Mateo, Jordi

2014-01-01

Our group developed two biological applications, Biblio-MetReS and Homol-MetReS, accessing the same database of organisms with annotated genes. Biblio-MetReS is a data-mining application that facilitates the reconstruction of molecular networks based on automated text-mining analysis of published scientific literature. Homol-MetReS allows functional (re)annotation of proteomes, to properly identify both the individual proteins involved in the process(es) of interest and their function. It also enables the sets of proteins involved in the process(es) in different organisms to be compared directly. The efficiency of these biological applications is directly related to the design of the shared database. We classified and analyzed the different kinds of access to the database. Based on this study, we tried to adjust and tune the configurable parameters of the database server to reach the best performance of the communication data link to/from the database system. Different database technologies were analyzed. We started the study with a public relational SQL database, MySQL. Then, the same database was implemented by a MapReduce-based database named HBase. The results indicated that the standard configuration of MySQL gives an acceptable performance for low or medium size databases. Nevertheless, tuning database parameters can greatly improve the performance and lead to very competitive runtimes. PMID:25202745

A new approach to determine the capture conditions of bark beetles in pheromone-baited traps

PubMed Central

Ozcan, Gonca Ece; Cicek, Osman; Enez, Korhan; Yildiz, Mustafa

2014-01-01

Forests form an organic unity with a great number of organic and inorganic components and tend to maintain the sustainability of their existing balance. However, some factors which adversely affect the balance of nature may interrupt this sustainability. The epidemic which is formed by bark beetles in their spreading region, due to various factors, changes the stability so much that interference is required. One of the most common methods used to monitor these beetles is pheromone-baited traps. The recognition of parameters, such as date (day/month/year), temperature and humidity, when bark beetles are captured in pheromone-baited traps, especially those used for monitoring will help to increase the trap efficiency on land and to develop an effective strategy for combating pests. In this study, an electronic control unit was added to pheromone-baited traps in order to obtain all of the above mentioned parameters. This unit operates with microcontrollers and data related to the parameters is saved in a storage unit. This is triggered by the beetle at the moment it is captured in the trap. A photovoltaic system was used to meet the energy needed for the system functioning and to complete the counting process in due time. PMID:26019592

Relationship between sedimentation rates and benthic impact on Maërl beds derived from fish farming in the Mediterranean.

PubMed

Sanz-Lázaro, Carlos; Belando, María Dolores; Marín-Guirao, Lázaro; Navarrete-Mier, Francisco; Marín, Arnaldo

2011-02-01

The aim of this work was to study the dispersion of particulate wastes derived from marine fish farming and correlate the data with the impact on the seabed. Carbon and nutrients were correlated with the physico-chemical parameters of the sediment and the benthic community structure. The sedimentation rates in the benthic system were 1.09, 0.09 and 0.13 g m⁻² day⁻¹ for particulate organic carbon (POC), particulate organic nitrogen (PON) and total phosphorus (TP), respectively. TP was a reliable parameter for establishing the spatial extent of the fish farm particulate wastes. Fish farming was seen to influence not only physico-chemical and biological parameters but also the functioning of the ecosystem from a trophic point of view, particularly affecting the grazers and the balance among the trophic groups. POC, PON and TP sedimentation dynamics reflected the physico-chemical status of the sediment along the distance gradient studied, while their impact on the benthic community extended further. Therefore, the level of fish farm impact on the benthic community might be underestimated if it is assessed by merely taking into account data obtained from waste dispersion rates. The benthic habitat beneath the fish farm, Maërl bed, was seen to be very sensitive to aquaculture impact compared with other unvegetated benthic habitats, with an estimated POC-carrying capacity to maintain current diversity of 0.087 g C m⁻² day⁻¹ (only 36% greater than the basal POC input). Environmental protection agencies should define different aquaculture waste load thresholds for different benthic communities affected by finfish farming, according to their particular degree of sensitivity, in order to maintain natural ecosystem functions. © 2010 Elsevier Ltd. All rights reserved.

Behavioral Measures of Auditory Streaming in Ferrets (Mustela putorius)

PubMed Central

Ma, Ling; Yin, Pingbo; Micheyl, Christophe; Oxenham, Andrew J.; Shamma, Shihab A.

2015-01-01

An important aspect of the analysis of auditory “scenes” relates to the perceptual organization of sound sequences into auditory “streams.” In this study, we adapted two auditory perception tasks, used in recent human psychophysical studies, to obtain behavioral measures of auditory streaming in ferrets (Mustela putorius). One task involved the detection of shifts in the frequency of tones within an alternating tone sequence. The other task involved the detection of a stream of regularly repeating target tones embedded within a randomly varying multitone background. In both tasks, performance was measured as a function of various stimulus parameters, which previous psychophysical studies in humans have shown to influence auditory streaming. Ferret performance in the two tasks was found to vary as a function of these parameters in a way that is qualitatively consistent with the human data. These results suggest that auditory streaming occurs in ferrets, and that the two tasks described here may provide a valuable tool in future behavioral and neurophysiological studies of the phenomenon. PMID:20695663

Linear response formulism of a carbon nano-onion stringed to gold electrodes

NASA Astrophysics Data System (ADS)

Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

2017-04-01

Density functional theory is used to investigate the electronic state of a carbon nano-onion conglobated by endohedral-ing the highly curved C20 fullerene within its parent fullerene C60. The Non-Equilibrium Green's Function is later employed to examine the quantum transport when the carbon nano-onion, C20@C60 is stringed to the pair of gold electrodes of (001) plane. The computed results are evaluated and compared with C20 and C60 junctions. The calculated electronic parameters of these molecular junctions are utilized to extrapolate their two electrical parameters: current and conductance. The carbon nano-onion junction assembled from the C20 and C60 molecules displays the combined effect of their molecular junctions when organized separately. Also, the insertion of C20 molecule in the hollow cavity of C60 fullerene leads to the enhancement of its current and conductance in carbon nano-onion junction formed, when compared to the one constructed otherwise.

Gravity Functions of Circumnutation by Hypocotyls of Helianthus annuus in Simulated Hypogravity 12

PubMed Central

Chapman, David K.; Venditti, Allen L.; Brown, Allan H.

1980-01-01

For more than a decade research on the botanical mechanism responsible for circumnutation has centered on whether or not these nearly ubiquitous oscillations can be attributed to a hunting process whereby the plant organ continuously responds to the gravity force and, by overshooting each stimulus, initiates a sustained oscillation or, driven by a not yet defined autogenic mechanism, performs oscillatory activities that require no external reinforcement to maintain the observed rhythms of differential growth. We explore here the effects of altered gravity force on parameters of circumnutation. Following our earlier publication on circumnutation in hypergravity we report here an exploration of circumnutation in hypogravity. Parameters of circumnutation are recorded as functions of the axially imposed gravity force. The same method was used (two-axes clinostat rotation) to produce sustained gravity forces referred to as hypergravity (1 < g), hypogravity (0 [unk] g < 1), and negative gravity (−1 < g < 0). In these three regions of the g-parameter nutational frequency and nutational amplitude were influenced in different ways. The results of our tests describe the gravity dependence of circumnutation over the full range of real or simulated gravity levels that are available in an earth laboratory. Our results demonstrated that nutational parameters are indeed gravity-dependent but are not inconsistent with the postulate that circumnutation can proceed in the absence of a significant gravity force. PMID:16661229

Subclinical Disease Burden as Assessed by Whole-Body MRI in Subjects With Prediabetes, Subjects With Diabetes, and Normal Control Subjects From the General Population: The KORA-MRI Study.

PubMed

Bamberg, Fabian; Hetterich, Holger; Rospleszcz, Susanne; Lorbeer, Roberto; Auweter, Sigrid D; Schlett, Christopher L; Schafnitzel, Anina; Bayerl, Christian; Schindler, Andreas; Saam, Tobias; Müller-Peltzer, Katharina; Sommer, Wieland; Zitzelsberger, Tanja; Machann, Jürgen; Ingrisch, Michael; Selder, Sonja; Rathmann, Wolfgang; Heier, Margit; Linkohr, Birgit; Meisinger, Christa; Weber, Christian; Ertl-Wagner, Birgit; Massberg, Steffen; Reiser, Maximilian F; Peters, Annette

2017-01-01

Detailed pathophysiological manifestations of early disease in the context of prediabetes are poorly understood. This study aimed to evaluate the extent of early signs of metabolic and cardio-cerebrovascular complications affecting multiple organs in individuals with prediabetes. Subjects without a history of stroke, coronary artery disease, or peripheral artery disease were enrolled in a case-control study nested within the Cooperative Health Research in the Region of Augsburg (KORA) FF4 cohort and underwent comprehensive MRI assessment to characterize cerebral parameters (white matter lesions, microbleeds), cardiovascular parameters (carotid plaque, left ventricular function, and myocardial late gadolinium enhancement [LGE]), and metabolic parameters (hepatic proton-density fat fraction [PDFF] and subcutaneous and visceral abdominal fat). Among 400 subjects who underwent MRI, 103 subjects had prediabetes and 54 had established diabetes. Subjects with prediabetes had an increased risk for carotid plaque and adverse functional cardiac parameters, including reduced early diastolic filling rates as well as a higher prevalence of LGE compared with healthy control subjects. In addition, people with prediabetes had significantly elevated levels of PDFF and total and visceral fat. Thus, subjects with prediabetes show early signs of subclinical disease that include vascular, cardiac, and metabolic changes, as measured by whole-body MRI after adjusting for cardiometabolic risk factors. © 2017 by the American Diabetes Association.

Monitoring of patients treated with lithium for bipolar disorder: an international survey.

PubMed

Nederlof, M; Heerdink, E R; Egberts, A C G; Wilting, I; Stoker, L J; Hoekstra, R; Kupka, R W

2018-04-14

Adequate monitoring of patients using lithium is needed for optimal dosing and for early identification of patients with (potential) ADEs. The objective was to internationally assess how health care professionals monitor patients treated with lithium for bipolar disorder. Using networks of various professional organizations, an anonymous online survey was conducted among health care professionals prescribing lithium. Target lithium serum levels and frequency of monitoring was assessed together with monitoring of physical and laboratory parameters. Reasons to and not to monitor and use of guidelines and institutional protocols, and local monitoring systems were investigated. The survey was completed by 117 health care professionals incorporating responses from twenty-four countries. All prescribers reported to monitor lithium serum levels on a regular basis, with varying target ranges. Almost all (> 97%) monitored thyroid and renal function before start and during maintenance treatment. Reported monitoring of other laboratory and physical parameters was variable. The majority of respondents (74%) used guidelines or institutional protocols for monitoring. In general, the prescriber was responsible for monitoring, had to request every monitoring parameter separately and only a minority of patients was automatically invited. Lithium serum levels, renal and thyroid function were monitored by (almost) all physicians. However, there was considerable variation in other monitoring parameters. Our results help to understand why prescribers of lithium monitor patients and what their main reasons are not to monitor patients using lithium.

Effects of fabrication on the mechanics, microstructure and micromechanical environment of small intestinal submucosa scaffolds for vascular tissue engineering.

PubMed

Sánchez-Palencia, Diana M; D'Amore, Antonio; González-Mancera, Andrés; Wagner, William R; Briceño, Juan C

2014-08-22

In small intestinal submucosa scaffolds for functional tissue engineering, the impact of scaffold fabrication parameters on success rate may be related to the mechanotransductory properties of the final microstructural organization of collagen fibers. We hypothesized that two fabrication parameters, 1) preservation (P) or removal (R) of a dense collagen layer present in SIS and 2) SIS in a final dehydrated (D) or hydrated (H) state, have an effect on scaffold void area, microstructural anisotropy (fiber alignment) and mechanical anisotropy (global mechanical compliance). We further integrated our experimental measurements in a constitutive model to explore final effects on the micromechanical environment inside the scaffold volume. Our results indicated that PH scaffolds might exhibit recurrent and large force fluctuations between layers (up to 195 pN), while fluctuations in RH scaffolds might be larger (up to 256 pN) but not as recurrent. In contrast, both PD and RD groups were estimated to produce scarcer and smaller fluctuations (not larger than 50 pN). We concluded that the hydration parameter strongly affects the micromechanics of SIS and that an adequate choice of fabrication parameters, assisted by the herein developed method, might leverage the use of SIS for functional tissue engineering applications, where forces at the cellular level are of concern in the guidance of new tissue formation. Copyright © 2014 Elsevier Ltd. All rights reserved.

'Systems toxicology' approach identifies coordinated metabolic responses to copper in a terrestrial non-model invertebrate, the earthworm Lumbricus rubellus.

PubMed

Bundy, Jacob G; Sidhu, Jasmin K; Rana, Faisal; Spurgeon, David J; Svendsen, Claus; Wren, Jodie F; Stürzenbaum, Stephen R; Morgan, A John; Kille, Peter

2008-06-03

New methods are needed for research into non-model organisms, to monitor the effects of toxic disruption at both the molecular and functional organism level. We exposed earthworms (Lumbricus rubellus Hoffmeister) to sub-lethal levels of copper (10-480 mg/kg soil) for 70 days as a real-world situation, and monitored both molecular (cDNA transcript microarrays and nuclear magnetic resonance-based metabolic profiling: metabolomics) and ecological/functional endpoints (reproduction rate and weight change, which have direct relevance to population-level impacts). Both of the molecular endpoints, metabolomics and transcriptomics, were highly sensitive, with clear copper-induced differences even at levels below those that caused a reduction in reproductive parameters. The microarray and metabolomic data provided evidence that the copper exposure led to a disruption of energy metabolism: transcripts of enzymes from oxidative phosphorylation were significantly over-represented, and increases in transcripts of carbohydrate metabolising enzymes (maltase-glucoamylase, mannosidase) had corresponding decreases in small-molecule metabolites (glucose, mannose). Treating both enzymes and metabolites as functional cohorts led to clear inferences about changes in energetic metabolism (carbohydrate use and oxidative phosphorylation), which would not have been possible by taking a 'biomarker' approach to data analysis. Multiple post-genomic techniques can be combined to provide mechanistic information about the toxic effects of chemical contaminants, even for non-model organisms with few additional mechanistic toxicological data. With 70-day no-observed-effect and lowest-observed-effect concentrations (NOEC and LOEC) of 10 and 40 mg kg-1 for metabolomic and microarray profiles, copper is shown to interfere with energy metabolism in an important soil organism at an ecologically and functionally relevant level.

Visual ModuleOrganizer: a graphical interface for the detection and comparative analysis of repeat DNA modules

PubMed Central

2014-01-01

Background DNA repeats, such as transposable elements, minisatellites and palindromic sequences, are abundant in sequences and have been shown to have significant and functional roles in the evolution of the host genomes. In a previous study, we introduced the concept of a repeat DNA module, a flexible motif present in at least two occurences in the sequences. This concept was embedded into ModuleOrganizer, a tool allowing the detection of repeat modules in a set of sequences. However, its implementation remains difficult for larger sequences. Results Here we present Visual ModuleOrganizer, a Java graphical interface that enables a new and optimized version of the ModuleOrganizer tool. To implement this version, it was recoded in C++ with compressed suffix tree data structures. This leads to less memory usage (at least 120-fold decrease in average) and decreases by at least four the computation time during the module detection process in large sequences. Visual ModuleOrganizer interface allows users to easily choose ModuleOrganizer parameters and to graphically display the results. Moreover, Visual ModuleOrganizer dynamically handles graphical results through four main parameters: gene annotations, overlapping modules with known annotations, location of the module in a minimal number of sequences, and the minimal length of the modules. As a case study, the analysis of FoldBack4 sequences clearly demonstrated that our tools can be extended to comparative and evolutionary analyses of any repeat sequence elements in a set of genomic sequences. With the increasing number of sequences available in public databases, it is now possible to perform comparative analyses of repeated DNA modules in a graphic and friendly manner within a reasonable time period. Availability Visual ModuleOrganizer interface and the new version of the ModuleOrganizer tool are freely available at: http://lcb.cnrs-mrs.fr/spip.php?rubrique313. PMID:24678954

Effect of fulvic acid surface coatings on plutonium sorption and desorption kinetics on goethite

DOE PAGES

Tinnacher, Ruth M.; Begg, James D.; Mason, Harris; ...

2015-01-21

The rates and extent of plutonium (Pu) sorption and desorption onto mineral surfaces are important parameters for predicting Pu mobility in subsurface environments. The presence of natural organic matter, such as fulvic acid (FA), may influence these parameters. We investigated the effects of FA on Pu(IV) sorption/desorption onto goethite in two scenarios: when FA was (1) initially present in solution or (2) found as organic coatings on the mineral surface. A low pH was used to maximize FA coatings on goethite. Experiments were combined with kinetic modeling and speciation calculations to interpret variations in Pu sorption rates in the presencemore » of FA. Our results indicate that FA can change the rates and extent of Pu sorption onto goethite at pH 4. Differences in the kinetics of Pu sorption were observed as a function of the concentration and initial form of FA. The fraction of desorbed Pu decreased in the presence of FA, indicating that organic matter can stabilize sorbed Pu on goethite. These results suggest that ternary Pu–FA–mineral complexes could enhance colloid-facilitated Pu transport. In conclusion, more representative natural conditions need to be investigated to quantify the relevance of these findings.« less

Optimization of the photoelectrocatalytic oxidation of landfill leachate using copper and nitrate co-doped TiO2 (Ti) by response surface methodology

PubMed Central

Zhou, Shaoqi; Feng, Xinbin

2017-01-01

In this paper, a statistically-based experimental design with response surface methodology (RSM) was employed to examine the effects of functional conditions on the photoelectrocatalytic oxidation of landfill leachate using a Cu/N co-doped TiO2 (Ti) electrode. The experimental design method was applied to response surface modeling and the optimization of the operational parameters of the photoelectro-catalytic degradation of landfill leachate using TiO2 as a photo-anode. The variables considered were the initial chemical oxygen demand (COD) concentration, pH and the potential bias. Two dependent parameters were either directly measured or calculated as responses: chemical oxygen demand (COD) removal and total organic carbon (TOC) removal. The results of this investigation reveal that the optimum conditions are an initial pH of 10.0, 4377.98mgL-1 initial COD concentration and 25.0 V of potential bias. The model predictions and the test data were in satisfactory agreement. COD and TOC removals of 67% and 82.5%, respectively, were demonstrated. Under the optimal conditions, GC/MS showed 73 organic micro-pollutants in the raw landfill leachate which included hydrocarbons, aromatic compounds and esters. After the landfill leachate treatment processes, 38 organic micro-pollutants disappeared completely in the photoelectrocatalytic process. PMID:28671943

Banking of environmental samples for short-term biochemical and chemical monitoring of organic contamination in coastal marine environments: the GICBEM experience (1986-1990). Groupe Interface Chimie Biologie des Ecosystèmes, Marins.

PubMed

Garrigues, P; Narbonne, J F; Lafaurie, M; Ribera, D; Lemaire, P; Raoux, C; Michel, X; Salaun, J P; Monod, J L; Romeo, M

1993-11-01

The GICBEM (Groupe Interface Chimie Biologie des Ecosystèmes Marins) program consists of an evaluation of the ecosystem health status in the Mediterranean Sea mainly based on chemical and biochemical approaches. Specific chemical contaminants (polycyclic aromatic hydrocarbons (PAH), polychlorobiphenyls (PCB), heavy metals) in waters, sediments, and related biotransformation indicators in target organisms (mussels, fish) have been selected for a complete survey of the coastal waters. In order to provide an appropriate sampling program for standardization for each sampling cruise, various aspects have been studied: (a) parameters for the choice of the sample sites; (b) ways of collection the samples (waters, sediments, marine organisms); and (c) preparation of the samples for a short term storage on board ship and for further analyses in the ground laboratory. Methods of preparation and storage of the samples are described and could be used to initiate an environmental banking program including both possible retrospective analyses of chemical pollutants and biochemical indicators. Moreover, the correlation between chemicals (PAH) and biochemical (mixed function oxygenase activities) parameters has been studied and this demonstrates the capability of the enzyme activities as reliable pollution biomarkers.

Analysis of the NAEG model of transuranic radionuclide transport and dose

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

Kercher, J.R.; Anspaugh, L.R.

We analyze the model for estimating the dose from /sup 239/Pu developed for the Nevada Applied Ecology Group (NAEG) by using sensitivity analysis and uncertainty analysis. Sensitivity analysis results suggest that the air pathway is the critical pathway for the organs receiving the highest dose. Soil concentration and the factors controlling air concentration are the most important parameters. The only organ whose dose is sensitive to parameters in the ingestion pathway is the GI tract. The air pathway accounts for 100% of the dose to lung, upper respiratory tract, and thoracic lymph nodes; and 95% of its dose via ingestion.more » Leafy vegetable ingestion accounts for 70% of the dose from the ingestion pathway regardless of organ, peeled vegetables 20%; accidental soil ingestion 5%; ingestion of beef liver 4%; beef muscle 1%. Only a handful of model parameters control the dose for any one organ. The number of important parameters is usually less than 10. Uncertainty analysis indicates that choosing a uniform distribution for the input parameters produces a lognormal distribution of the dose. The ratio of the square root of the variance to the mean is three times greater for the doses than it is for the individual parameters. As found by the sensitivity analysis, the uncertainty analysis suggests that only a few parameters control the dose for each organ. All organs have similar distributions and variance to mean ratios except for the lymph modes. 16 references, 9 figures, 13 tables.« less

Synthesis, crystal structure, vibrational spectroscopy, optical properties and theoretical studies of a new organic-inorganic hybrid material: [((CH3)2NH2)(+)]6·[(BiBr6)(3-)]2.

PubMed

Ben Ahmed, A; Feki, H; Abid, Y

2014-12-10

A new organic-inorganic hybrid material, [((CH3)2NH2)(+)]6·[(BiBr6)(3-)]2, has been synthesized and characterized by X-ray diffraction, FT-IR, Raman spectroscopy and UV-Visible absorption. The studied compound crystallizes in the triclinic system, space group P1¯ with the following parameters: a=8.4749(6)(Å), b=17.1392(12)(Å), c=17.1392(12)(Å), α=117.339(0)°, β=99.487(0)°, γ=99.487(0)° and Z=2. The crystal lattice is composed of a two discrete (BiBr6)(3-) anions surrounded by six ((CH3)2NH2)(+) cations. Complex hydrogen bonding interactions between (BiBr6)(3-) and organic cations from a three-dimensional network. Theoretical calculations were performed using density functional theory (DFT) for studying the molecular structure, vibrational spectra and optical properties of the investigated molecule in the ground state. The full geometry optimization of designed system is performed using DFT method at B3LYP/LanL2DZ level of theory using the Gaussian03. The optimized geometrical parameters obtained by DFT calculations are in good agreement with single crystal XRD data. The vibrational spectral data obtained from FT-IR and Raman spectra are assigned based on the results of the theoretical calculations. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) results complements with the experimental findings. The simulated spectra satisfactorily coincide with the experimental UV-Visible spectrum. The results show good consistent with the experiment and confirm the contribution of metal orbital to the HOMO-LUMO boundary. Copyright © 2014 Elsevier B.V. All rights reserved.

Size-Controlled Dissolution of Organic-Coated Silver Nanoparticles

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

Ma, Rui; Levard, Clément; Marinakos, Stella M.

2012-04-02

The solubility of Ag NPs can affect their toxicity and persistence in the environment. We measured the solubility of organic-coated silver nanoparticles (Ag NPs) having particle diameters ranging from 5 to 80 nm that were synthesized using various methods, and with different organic polymer coatings including poly(vinylpyrrolidone) and gum arabic. The size and morphology of Ag NPs were characterized by transmission electron microscopy (TEM). X-ray absorption fine structure (XAFS) spectroscopy and synchrotron-based total X-ray scattering and pair distribution function (PDF) analysis were used to determine the local structure around Ag and evaluate changes in crystal lattice parameters and structure asmore » a function of NP size. Ag NP solubility dispersed in 1 mM NaHCO{sub 3} at pH 8 was found to be well correlated with particle size based on the distribution of measured TEM sizes as predicted by the modified Kelvin equation. Solubility of Ag NPs was not affected by the synthesis method and coating as much as by their size. Based on the modified Kelvin equation, the surface tension of Ag NPs was found to be {approx}1 J/m{sup 2}, which is expected for bulk fcc (face centered cubic) silver. Analysis of XAFS, X-ray scattering, and PDFs confirm that the lattice parameter, {alpha}, of the fcc crystal structure of Ag NPs did not change with particle size for Ag NPs as small as 6 nm, indicating the absence of lattice strain. These results are consistent with the finding that Ag NP solubility can be estimated based on TEM-derived particle size using the modified Kelvin equation for particles in the size range of 5-40 nm in diameter.« less

Low-temperature binding of NO adsorbed on MIL-100(Al)-A case study for the application of high resolution pulsed EPR methods and DFT calculations.

PubMed

Mendt, Matthias; Barth, Benjamin; Hartmann, Martin; Pöppl, Andreas

2017-12-14

The low-temperature binding of nitric oxide (NO) in the metal-organic framework MIL-100(Al) has been investigated by pulsed electron nuclear double resonance and hyperfine sublevel correlation spectroscopy. Three NO adsorption species have been identified. Among them, one species has been verified experimentally to bind directly to an 27 Al atom and all its relevant 14 N and 27 Al hyperfine interaction parameters have been determined spectroscopically. Those parameters fit well to the calculated ones of a theoretical cluster model, which was derived by density functional theory (DFT) in the present work and describes the low temperature binding of NO to the regular coordinatively unsaturated Al 3+ site of the MIL-100(Al) structure. As a result, the Lewis acidity of that site has been characterized using the NO molecule as an electron paramagnetic resonance active probe. The DFT derived wave function analysis revealed a bent end-on coordination of the NO molecule adsorbed at that site which is almost purely ionic and has a weak binding energy. The calculated flat potential energy surface of this species indicates the ability of the NO molecule to freely rotate at intermediate temperatures while it is still binding to the Al 3+ site. For the other two NO adsorption species, no structural models could be derived, but one of them is indicated to be adsorbed at the organic part of the metal-organic framework. Hyperfine interactions with protons, weakly coupled to the observed NO adsorption species, have also been measured by pulsed electron paramagnetic resonance and found to be consistent with their attribution to protons of the MIL-100(Al) benzenetricarboxylate ligand molecules.

40 CFR 430.01 - General definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... following definitions apply to this part: (a) Adsorbable organic halides (AOX). A bulk parameter that measures the total mass of chlorinated organic matter in water and wastewater. The approved method of... parameter that measures the oxygen-consuming capacity of organic and inorganic matter present in water or...

40 CFR 430.01 - General definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... following definitions apply to this part: (a) Adsorbable organic halides (AOX). A bulk parameter that measures the total mass of chlorinated organic matter in water and wastewater. The approved method of... parameter that measures the oxygen-consuming capacity of organic and inorganic matter present in water or...

40 CFR 430.01 - General definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... following definitions apply to this part: (a) Adsorbable organic halides (AOX). A bulk parameter that measures the total mass of chlorinated organic matter in water and wastewater. The approved method of... parameter that measures the oxygen-consuming capacity of organic and inorganic matter present in water or...

Development and application of a soil organic matter-based soil quality index in mineralized terrane of the Western US

USGS Publications Warehouse

Blecker, S.W.; Stillings, Lisa L.; Amacher, M.C.; Ippolito, J.A.; DeCrappeo, N.M.

2013-01-01

Soil quality indices provide a means of distilling large amounts of data into a single metric that evaluates the soil’s ability to carry out key ecosystem functions. Primarily developed in agroecosytems, then forested ecosystems, an index using the relation between soil organic matter and other key soil properties in more semi-arid systems of the Western US impacted by different geologic mineralization was developed. Three different sites in two different mineralization types, acid sulfate and Cu/Mo porphyry in California and Nevada, were studied. Soil samples were collected from undisturbed soils in both mineralized and nearby unmineralized terrane as well as waste rock and tailings. Eight different microbial parameters (carbon substrate utilization, microbial biomass-C, mineralized-C, mineralized-N and enzyme activities of acid phosphatase, alkaline phosphatase, arylsulfatase, and fluorescein diacetate) along with a number of physicochemical parameters were measured. Multiple linear regression models between these parameters and both total organic carbon and total nitrogen were developed, using the ratio of predicted to measured values as the soil quality index. In most instances, pooling unmineralized and mineralized soil data within a given study site resulted in lower model correlations. Enzyme activity was a consistent explanatory variable in the models across the study sites. Though similar indicators were significant in models across different mineralization types, pooling data across sites inhibited model differentiation of undisturbed and disturbed sites. This procedure could be used to monitor recovery of disturbed systems in mineralized terrane and help link scientific and management disciplines.

Enhancement of organ regeneration in animal models by a stem cell-stimulating plant mixture.

PubMed

Kiss, István; Tibold, Antal; Halmosi, Róbert; Bartha, Eva; Koltai, Katalin; Orsós, Zsuzsanna; Bujdosó, László; Ember, István

2010-06-01

Adult stem cells play an important role in the regeneration of damaged organs. Attempts have already been made to enhance stem cell production by cytokines, in order to increase the improvement of cardiac functions after myocardial infarction. In our present study we investigated the possibility whether instead of cytokine injection dietary stimulation of stem cell production accelerates the organ regeneration in animals. A dietary supplement, Olimpiq StemXCell (Crystal Institute Ltd., Eger, Hungary), containing plant extracts (previously proved to increase the number of circulating CD34(+) cells) was consumed in human equivalent doses by the experimental animals. In the first experiment carbon tetrachloride was applied to CBA/Ca mice, to induce liver damage, and liver weights between StemXCell-fed and control animals were compared 10 days after the treatment. In the second model experimental diabetes was induced in F344 rats by alloxan. Blood sugar levels were measured for 5 weeks in the control and StemXCell-fed groups. The third part of the study investigated the effect of StemXCell on cardiac functions. Eight weeks after causing a myocardial infarction in Wistar rats by isoproterenol, left ventricular ejection fraction was determined as a functional parameter of myocardial regeneration. In all three animal models StemXCell consumption statistically significantly improved the organ regeneration (relative liver weights, 4.78 +/-0.06 g/100 g vs. 4.97 +/- 0.07 g/100 g; blood sugar levels at week 5, 16 +/- 1.30 mmol/L vs. 10.2 +/- 0.92 mmol/L; ejection fraction, 57.5 +/- 2.23 vs. 68.2 +/- 4.94; controls vs. treated animals, respectively). Our study confirms the hypothesis that dietary enhancement of stem cell production may protect against organ injuries and helps in the regeneration.

Integrative understanding of macular morphologic patterns in diabetic retinopathy based on self-organizing map.

PubMed

Murakami, Tomoaki; Ueda-Arakawa, Naoko; Nishijima, Kazuaki; Uji, Akihito; Horii, Takahiro; Ogino, Ken; Yoshimura, Nagahisa

2014-03-28

To integrate parameters on spectral-domain optical coherence tomography (SD-OCT) in diabetic retinopathy (DR) based on the self-organizing map and objectively describe the macular morphologic patterns. A total of 336 consecutive eyes of 216 patients with DR for whom clear SD-OCT images were available were retrospectively reviewed. Eleven OCT parameters and the logarithm of the minimal angle of resolution (logMAR) were measured. These multidimensional data were analyzed based on the self-organizing map on which similar cases were near each other according to the degree of their similarities, followed by the objective clustering. Self-organizing maps indicated that eyes with greater retinal thickness in the central subfield had greater thicknesses in the superior and temporal subfields. Eyes with foveal serous retinal detachment (SRD) had greater thickness in the nasal or inferior subfield. Eyes with foveal cystoid spaces were arranged to the left upper corner on the two-dimensional map; eyes with foveal SRD to the left lower corner; eyes with thickened retinal parenchyma to the lower area. The following objective clustering demonstrated the unsupervised pattern recognition of macular morphologies in diabetic macular edema (DME) as well as the higher-resolution discrimination of DME per se. Multiple regression analyses showed better association of logMAR with retinal thickness in the inferior subfield in eyes with SRD and with external limiting membrane disruption in eyes with foveal cystoid spaces or thickened retinal parenchyma. The self-organizing map facilitates integrative understanding of the macular morphologic patterns and the structural/functional relationship in DR.

Integrating Evolutionary Game Theory into Mechanistic Genotype-Phenotype Mapping.

PubMed

Zhu, Xuli; Jiang, Libo; Ye, Meixia; Sun, Lidan; Gragnoli, Claudia; Wu, Rongling

2016-05-01

Natural selection has shaped the evolution of organisms toward optimizing their structural and functional design. However, how this universal principle can enhance genotype-phenotype mapping of quantitative traits has remained unexplored. Here we show that the integration of this principle and functional mapping through evolutionary game theory gains new insight into the genetic architecture of complex traits. By viewing phenotype formation as an evolutionary system, we formulate mathematical equations to model the ecological mechanisms that drive the interaction and coordination of its constituent components toward population dynamics and stability. Functional mapping provides a procedure for estimating the genetic parameters that specify the dynamic relationship of competition and cooperation and predicting how genes mediate the evolution of this relationship during trait formation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Inferring community properties of benthic macroinvertebrates in streams using Shannon index and exergy

NASA Astrophysics Data System (ADS)

Nguyen, Tuyen Van; Cho, Woon-Seok; Kim, Hungsoo; Jung, Il Hyo; Kim, YongKuk; Chon, Tae-Soo

2014-03-01

Definition of ecological integrity based on community analysis has long been a critical issue in risk assessment for sustainable ecosystem management. In this work, two indices (i.e., Shannon index and exergy) were selected for the analysis of community properties of benthic macroinvertebrate community in streams in Korea. For this purpose, the means and variances of both indices were analyzed. The results found an extra scope of structural and functional properties in communities in response to environmental variabilities and anthropogenic disturbances. The combination of these two parameters (four indices) was feasible in identification of disturbance agents (e.g., industrial pollution or organic pollution) and specifying states of communities. The four-aforementioned parameters (means and variances of Shannon index and exergy) were further used as input data in a self-organizing map for the characterization of water quality. Our results suggested that Shannon index and exergy in combination could be utilized as a suitable reference system and would be an efficient tool for assessment of the health of aquatic ecosystems exposed to environmental disturbances.

Absence of effects on the rat sperm quality after subacute exposure to low doses of fungicide prochloraz.

PubMed

Sanabria, Marciana; Pessin, Alessandra; Zanutto, Mirella Rossitto; Perobelli, Juliana Elaine; Guerra, Marina Trevizan; Banzato, Thais Petrochelli; Borges, Cibele dos Santos; Kempinas, Wilma De Grava

2015-01-01

Prochloraz (PCZ) is a fungicide and androgen-receptor antagonist used worldwide in horticulture and agriculture. Pre- and perinatal exposure to this pesticide during sexual differentiation is deleterious for male offspring. Since data on the effects of PCZ on epididymal functions are scarce, and because sperm maturation occurs in this organ, the present investigation aimed to determine whether low PCZ doses administered to rats during the phase of sperm transit through the epididymis might affect the morphophysiology of this organ and sperm quality. Adult male Wistar rats were assigned to 4 different groups: 0 (control, vehicle) or 10, 15, or 30 mg/kg bw/d PCZ diluted in corn oil administered orally for 4 consecutive days. Morphofunctional parameters of the male reproductive tract, hormone concentrations, sperm evaluations, and fertility and histopathologic analysis of testis and epididymis were assessed. There were no statistically significant differences between treated and control groups in relation to all evaluated parameters. Data demonstrated show that PCZ exposure for a brief 4-d exposure and low doses did not produce reproductive toxicity or compromise sperm quality in adult rats.

Measuring the relative hydrogen-bonding strengths of alcohols in aprotic organic solvents.

PubMed

Tessensohn, Malcolm E; Lee, Melvyn; Hirao, Hajime; Webster, Richard D

2015-01-12

Voltammetric experiments with 9,10-anthraquinone and 1,4-benzoquinone performed under controlled moisture conditions indicate that the hydrogen-bond strengths of alcohols in aprotic organic solvents can be differentiated by the electrochemical parameter ΔEp (red) =|Ep (red(1)) -Ep (red(2)) |, which is the potential separation between the two one-electron reduction processes. This electrochemical parameter is inversely related to the strength of the interactions and can be used to differentiate between primary, secondary, tertiary alcohols, and even diols, as it is sensitive to both their steric and electronic properties. The results are highly reproducible across two solvents with substantially different hydrogen-bonding properties (CH3 CN and CH2 Cl2 ) and are supported by density functional theory calculations. This indicates that the numerous solvent-alcohol interactions are less significant than the quinone-alcohol hydrogen-bonding interactions. The utility of ΔEp (red) was illustrated by comparisons between 1) 3,3,3-trifluoro-n-propanol and 1,3-difluoroisopropanol and 2) ethylene glycol and 2,2,2-trifluoroethanol. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Prediction of the chromatographic retention of acid-base compounds in pH buffered methanol-water mobile phases in gradient mode by a simplified model.

PubMed

Andrés, Axel; Rosés, Martí; Bosch, Elisabeth

2015-03-13

Retention of ionizable analytes under gradient elution depends on the pH of the mobile phase, the pKa of the analyte and their evolution along the programmed gradient. In previous work, a model depending on two fitting parameters was recommended because of its very favorable relationship between accuracy and required experimental work. It was developed using acetonitrile as the organic modifier and involves pKa modeling by means of equations that take into account the acidic functional group of the compound (carboxylic acid, protonated amine, etc.). In this work, the two-parameter predicting model is tested and validated using methanol as the organic modifier of the mobile phase and several compounds of higher pharmaceutical relevance and structural complexity as testing analytes. The results have been quite good overall, showing that the predicting model is applicable to a wide variety of acid-base compounds using mobile phases prepared with acetonitrile or methanol. Copyright © 2015 Elsevier B.V. All rights reserved.

Principle of topography-directed inkjet printing for functional micro-tracks in flexible substrates

NASA Astrophysics Data System (ADS)

Keum, Chang-Min; Lee, In-Ho; Park, Hea-Lim; Kim, Chiwoo; Lüssem, Björn; Choi, Jong Sun; Lee, Sin-Doo

2017-06-01

We present a general principle of topography-directed (TD) inkjet printing for functional micro-tracks embedded in a flexible elastomer substrate. The essential features of the TD inkjet printing in a micro-structured substrate with periodic grooves and ridges are described in terms of the topographic parameters for the transformation from a single droplet to a filament or an edge-disjoint pattern of ink in the groove. Silver ink, being widely used for producing conductive wires by conventional inkjet printing, is utilized as a testbed in our study. The underlying mechanisms for the spreading and drying processes of ink drops under the topographic compartment can be understood in a two-dimensional parameter space of the aspect ratio of the groove and the contact angle of ink on the substrate. The wetting morphologies of ink droplets are described in an analytical model where the Laplace pressure and the mean curvature at the vapor/ink interface are taken into account. The first principle of the TD inkjet printing would be applicable for constructing a variety of functional micro-tracks with high pattern fidelity from different classes of solutions such as conducting polymers, organic semiconductors, and colloidal nanoparticles.

Three-dimensional desirability spaces for quality-by-design-based HPLC development.

PubMed

Mokhtar, Hatem I; Abdel-Salam, Randa A; Hadad, Ghada M

2015-04-01

In this study, three-dimensional desirability spaces were introduced as a graphical representation method of design space. This was illustrated in the context of application of quality-by-design concepts on development of a stability indicating gradient reversed-phase high-performance liquid chromatography method for the determination of vinpocetine and α-tocopheryl acetate in a capsule dosage form. A mechanistic retention model to optimize gradient time, initial organic solvent concentration and ternary solvent ratio was constructed for each compound from six experimental runs. Then, desirability function of each optimized criterion and subsequently the global desirability function were calculated throughout the knowledge space. The three-dimensional desirability spaces were plotted as zones exceeding a threshold value of desirability index in space defined by the three optimized method parameters. Probabilistic mapping of desirability index aided selection of design space within the potential desirability subspaces. Three-dimensional desirability spaces offered better visualization and potential design spaces for the method as a function of three method parameters with ability to assign priorities to this critical quality as compared with the corresponding resolution spaces. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function.

PubMed

Prill, Dragica; Juhás, Pavol; Billinge, Simon J L; Schmidt, Martin U

2016-01-01

A method towards the solution and refinement of organic crystal structures by fitting to the atomic pair distribution function (PDF) is developed. Approximate lattice parameters and molecular geometry must be given as input. The molecule is generally treated as a rigid body. The positions and orientations of the molecules inside the unit cell are optimized starting from random values. The PDF is obtained from carefully measured X-ray powder diffraction data. The method resembles `real-space' methods for structure solution from powder data, but works with PDF data instead of the diffraction pattern itself. As such it may be used in situations where the organic compounds are not long-range-ordered, are poorly crystalline, or nanocrystalline. The procedure was applied to solve and refine the crystal structures of quinacridone (β phase), naphthalene and allopurinol. In the case of allopurinol it was even possible to successfully solve and refine the structure in P1 with four independent molecules. As an example of a flexible molecule, the crystal structure of paracetamol was refined using restraints for bond lengths, bond angles and selected torsion angles. In all cases, the resulting structures are in excellent agreement with structures from single-crystal data.

Uptake and elimination kinetics of metals in soil invertebrates: a review.

PubMed

Ardestani, Masoud M; van Straalen, Nico M; van Gestel, Cornelis A M

2014-10-01

Uptake and elimination kinetics of metals in soil invertebrates are a function of both soil and organism properties. This study critically reviewed metal toxicokinetics in soil invertebrates and its potential use for assessing bioavailability. Uptake and elimination rate constants of different metals are summarized. Invertebrates have different strategies for essential and non-essential metals. As a consequence, different types of models must be applied to describe metal uptake and elimination kinetics. We discuss model parameters for each metal separately and show how they are influenced by exposure concentrations and by physiological properties of the organisms. Soil pH, cation exchange capacity, clay and organic matter content significantly affect uptake rates of non-essential metals in soil invertebrates. For essential metals, kinetics is hardly influenced by soil properties, but rather prone to physiological regulation mechanisms of the organisms. Our analysis illustrates that toxicokinetics can be a valuable measurement to assess bioavailability of soil-bound metals. Copyright © 2014 Elsevier Ltd. All rights reserved.

High fragility of the soil organic C pools in mangrove forests.

PubMed

Otero, X L; Méndez, A; Nóbrega, G N; Ferreira, T O; Santiso-Taboada, M J; Meléndez, W; Macías, F

2017-06-15

Mangrove forests play an important role in biogeochemical cycle of C, storing large amounts of organic carbon. However, these functions can be controlled by the high spatial heterogeneity of these intertidal environments. In this study were performed an intensive sampling characterizing mangrove soils under different type of vegetation (Rhizophora/Avicennia/dead mangrove) in the Venezuelan coast. The soils were anoxic, with a pH~7; however other soil parameters varied widely (e.g., clay, organic carbon). Dead mangrove area showed a significant lower amounts of total organic carbon (TOC) (6.8±2.2%), in comparison to the well-preserved mangrove of Avicennia or Rhizophora (TOC=17-20%). Our results indicate that 56% of the TOC was lost within a period of 10years and we estimate that 11,219kgm -2 of CO 2 was emitted as a result of the mangrove death. These results represent an average emission rate of 11.2±19.17tCO 2 ha -1 y -1 . Copyright © 2017 Elsevier Ltd. All rights reserved.

Different electronic and charge-transport properties of four organic semiconductors Tetraazaperopyrenes derivatives

NASA Astrophysics Data System (ADS)

Shi, Yarui; Wei, Huiling; Liu, Yufang

2015-03-01

Tetraazaperopyrenes (TAPPs) derivatives are high-performance n-type organic semiconductor material families with the remarkable long-term stabilities. The charge carrier mobilities in TAPPs derivatives crystals were calculated by the density functional theory (DFT) method combined with the Marcus-Hush electron-transfer theory. The existence of considerable C-H…F-C bonding defines the conformation of the molecular structure and contributes to its stability. We illustrated how it is possible to control the electronic and charge-transport parameters of TAPPs derivatives as a function of the positions, a type of the substituents. It is found that the core substitution of TAPPs has a drastic influence on the charge-transport mobilities. The maximum electron mobility value of the core-brominated 2,9-bis (perfluoroalkyl)-substituted TAPPs is 0.521 cm2 V-1 s-1, which appear in the orientation angle 95° and 275°. The results demonstrate that the TAPPs with bromine substituents in ortho positions exhibit the best charge-transfer efficiency among the four different TAPP derivatives.

Highly-stable and -flexible graphene/(CF3SO2)2NH/graphene transparent conductive electrodes for organic solar cells

NASA Astrophysics Data System (ADS)

Seo, Sang Woo; Lee, Ha Seung; Shin, Dong Hee; Kim, Ju Hwan; Jang, Chan Wook; Kim, Jong Min; Kim, Sung; Choi, Suk-Ho

2017-10-01

We first employ highly-stable and -flexible (CF3SO2)2NH-doped graphene (TFSA/GR) and GR-encapsulated TFSA/GR (GR/TFSA/GR) transparent conductive electrodes (TCEs) prepared on polyethylene terephthalate substrates for flexible organic solar cells (OSCs). Compared to conventional indium tin oxide (ITO) TCEs, the TFSA-doped-GR TCEs show higher optical transmittance and larger sheet resistance. The TFSA/GR and GR/TFSA/GR TCEs show work functions of 4.89 ± 0.16 and 4.97 ± 0.18 eV, respectively, which are not only larger than those of the ITO TCEs but also indicate p-type doping of GR, and are therefore more suitable for anode TCEs of OSCs. In addition, typical GR/TFSA/GR-TCE OSCs are much more mechanically flexible than the ITO-TCE ones with their photovoltaic parameters being similar, as proved by bending tests as functions of cycle and curvature.

Application of 'Six Sigma{sup TM}' and 'Design of Experiment' for Cementation - Recipe Development for Evaporator Concentrate for NPP Ling AO, Phase II (China) - 12555

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

Fehrmann, Henning; Perdue, Robert

2012-07-01

Cementation of radioactive waste is a common technology. The waste is mixed with cement and water and forms a stable, solid block. The physical properties like compression strength or low leach ability depends strongly on the cement recipe. Due to the fact that this waste cement mixture has to fulfill special requirements, a recipe development is necessary. The Six Sigma{sup TM}' DMAIC methodology, together with the Design of experiment (DoE) approach, was employed to optimize the process of a recipe development for cementation at the Ling Ao nuclear power plant (NPP) in China. The DMAIC offers a structured, systematical andmore » traceable process to derive test parameters. The DoE test plans and statistical analysis is efficient regarding the amount of test runs and the benefit gain by getting a transfer function. A transfer function enables simulation which is useful to optimize the later process and being responsive to changes. The DoE method was successfully applied for developing a cementation recipe for both evaporator concentrate and resin waste in the plant. The key input parameters were determined, evaluated and the control of these parameters were included into the design. The applied Six Sigma{sup TM} tools can help to organize the thinking during the engineering process. Data are organized and clearly presented. Various variables can be limited to the most important ones. The Six Sigma{sup TM} tools help to make the thinking and decision process trace able. The tools can help to make data driven decisions (e.g. C and E Matrix). But the tools are not the only golden way. Results from scoring tools like the C and E Matrix need close review before using them. The DoE is an effective tool for generating test plans. DoE can be used with a small number of tests runs, but gives a valuable result from an engineering perspective in terms of a transfer function. The DoE prediction results, however, are only valid in the tested area. So a careful selection of input parameter and their limits for setting up a DoE is very important. An extrapolation of results is not recommended because the results are not reliable out of the tested area. (authors)« less

Topsoil structure stability in a restored floodplain: Impacts of fluctuating water levels, soil parameters and ecosystem engineers.

PubMed

Schomburg, A; Schilling, O S; Guenat, C; Schirmer, M; Le Bayon, R C; Brunner, P

2018-10-15

Ecosystem services provided by floodplains are strongly controlled by the structural stability of soils. The development of a stable structure in floodplain soils is affected by a complex and poorly understood interplay of hydrological, physico-chemical and biological processes. This paper aims at analysing relations between fluctuating groundwater levels, soil physico-chemical and biological parameters on soil structure stability in a restored floodplain. Water level fluctuations in the soil are modelled using a numerical surface-water-groundwater flow model and correlated to soil physico-chemical parameters and abundances of plants and earthworms. Causal relations and multiple interactions between the investigated parameters are tested through structural equation modelling (SEM). Fluctuating water levels in the soil did not directly affect the topsoil structure stability, but indirectly through affecting plant roots and soil parameters that in turn determine topsoil structure stability. These relations remain significant for mean annual days of complete and partial (>25%) water saturation. Ecosystem functioning of a restored floodplain might already be affected by the fluctuation of groundwater levels alone, and not only through complete flooding by surface water during a flood period. Surprisingly, abundances of earthworms did not show any relation to other variables in the SEM. These findings emphasise that earthworms have efficiently adapted to periodic stress and harsh environmental conditions. Variability of the topsoil structure stability is thus stronger driven by the influence of fluctuating water levels on plants than by the abundance of earthworms. This knowledge about the functional network of soil engineering organisms, soil parameters and fluctuating water levels and how they affect soil structural stability is of fundamental importance to define management strategies of near-natural or restored floodplains in the future. Copyright © 2018 Elsevier B.V. All rights reserved.

Organic amine catalytic organosolv pretreatment of corn stover for enzymatic saccharification and high-quality lignin.

PubMed

Tang, Chenglun; Shan, Junqiang; Chen, Yanjun; Zhong, Lingxia; Shen, Tao; Zhu, Chenjie; Ying, Hanjie

2017-05-01

A novel and efficient organic amine and organosolv synergetic pretreatment method was developed to overcome the recalcitrance of lignocellulose to produce fermentable sugars and high-quality salt-free lignin. After optimization of the process parameters, a delignification of 81.7% and total sugar yield of 83.2% (87.1% glucose, 75.4% xylose) could be obtained using n-propylamine (10mmol/g, biomass) as a catalyst and aqueous ethanol (60%, v/v) as a solvent. The susceptibility of the substrates to enzymatic digestibility was explained by their physical and chemical characteristics. The physical structure of extracted lignin showed higher β-aryl ether bonds content and functionalities, offering the potential for further downstream upgrading. The role of organic amine catalyst and a synergistic mechanism is proposed for the present system. Copyright © 2017 Elsevier Ltd. All rights reserved.

Examining Microbial Survival During Infall onto Europa: An Important Limit on the Origin of Potential European Life

NASA Technical Reports Server (NTRS)

Fries, M.; Conrad, P.; Matney, M.; Steele, A.

2015-01-01

Previous work shows that transfer of material from Earth to Europa is statistically possible, opening the question of whether terrestrial biota may have transferred to Europa to populate that world. Transfer of viable organisms is a function of parameters such as ejection shock, radiation exposure, and others, applied across four phases in the transfer process: ejection from the parent body, transport through interplanetary space, infall onto the target world, and biological adaptation. If terrestrial biota could survive transport to Europa, then biology on Europa may be either the product of a separate and unrelated origin or they are the descendants of transferred terrestrial organisms. If, however, transfer of viable organisms is impossible, then any biota present on Europa must be the product of a biological origin independent from terrestrial life. We will investigate the survival likelihood of material falling onto Europa.

High-Mobility, Ultrathin Organic Semiconducting Films Realized by Surface-Mediated Crystallization.

PubMed

Vladimirov, I; Kellermeier, M; Geßner, T; Molla, Zarah; Grigorian, S; Pietsch, U; Schaffroth, L S; Kühn, M; May, F; Weitz, R T

2018-01-10

The functionality of common organic semiconductor materials is determined by their chemical structure and crystal modification. While the former can be fine-tuned via synthesis, a priori control over the crystal structure has remained elusive. We show that the surface tension is the main driver for the plate-like crystallization of a novel small organic molecule n-type semiconductor at the liquid-air interface. This interface provides an ideal environment for the growth of millimeter-sized semiconductor platelets that are only few nanometers thick and thus highly attractive for application in transistors. On the basis of the novel high-performance perylene diimide, we show in as-grown, only 3 nm thin crystals electron mobilities of above 4 cm 2 /(V s) and excellent bias stress stability. We suggest that the established systematics on solvent parameters can provide the basis of a general framework for a more deterministic crystallization of other small molecules.

Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer

DOE PAGES

Bacon, Diana H.; Dai, Zhenxue; Zheng, Liange

2014-12-31

An important risk at CO2 storage sites is the potential for groundwater quality impacts. As part of a system to assess the potential for these impacts a geochemical scaling function has been developed, based on a detailed reactive transport model of CO2 and brine leakage into an unconfined, oxidizing carbonate aquifer. Stochastic simulations varying a number of geochemical parameters were used to generate a response surface predicting the volume of aquifer that would be impacted with respect to regulated contaminants. The brine was assumed to contain several trace metals and organic contaminants. Aquifer pH and TDS were influenced by CO2more » leakage, while trace metal concentrations were most influenced by the brine concentrations rather than adsorption or desorption on calcite. Organic plume sizes were found to be strongly influenced by biodegradation.« less

Gravity modulates Listing's plane orientation during both pursuit and saccades

NASA Technical Reports Server (NTRS)

Hess, Bernhard J M.; Angelaki, Dora E.

2003-01-01

Previous studies have shown that the spatial organization of all eye orientations during visually guided saccadic eye movements (Listing's plane) varies systematically as a function of static and dynamic head orientation in space. Here we tested if a similar organization also applies to the spatial orientation of eye positions during smooth pursuit eye movements. Specifically, we characterized the three-dimensional distribution of eye positions during horizontal and vertical pursuit (0.1 Hz, +/-15 degrees and 0.5 Hz, +/-8 degrees) at different eccentricities and elevations while rhesus monkeys were sitting upright or being statically tilted in different roll and pitch positions. We found that the spatial organization of eye positions during smooth pursuit depends on static orientation in space, similarly as during visually guided saccades and fixations. In support of recent modeling studies, these results are consistent with a role of gravity on defining the parameters of Listing's law.

TU-C-17A-08: Improving IMRT Planning and Reducing Inter-Planner Variability Using the Stochastic Frontier Method: Validation Based On Clinical and Simulated Data

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

Gagne, MC; Archambault, L; CHU de Quebec, Quebec, Quebec

2014-06-15

Purpose: Intensity modulated radiation therapy always requires compromises between PTV coverage and organs at risk (OAR) sparing. We previously developed metrics that correlate doses to OAR to specific patients’ morphology using stochastic frontier analysis (SFA). Here, we aim to examine the validity of this approach using a large set of realistically simulated dosimetric and geometric data. Methods: SFA describes a set of treatment plans as an asymmetric distribution with respect to a frontier defining optimal plans. Eighty head and neck IMRT plans were used to establish a metric predicting the mean dose to parotids as a function of simple geometricmore » parameters. A database of 140 parotids was used as a basis distribution to simulate physically plausible data of geometry and dose. Distributions comprising between 20 and 5000 were simulated and the SFA was applied to obtain new frontiers, which were compared to the original frontier. Results: It was possible to simulate distributions consistent with the original dataset. Below 160 organs, the SFA could not always describe distributions as asymmetric: a few cases showed a Gaussian or half-Gaussian distribution. In order to converge to a stable solution, the number of organs in a distribution must ideally be above 100, but in many cases stable parameters could be achieved with as low as 60 samples of organ data. Mean RMS value of the error of new frontiers was significantly reduced when additional organs are used. Conclusion: The number of organs in a distribution showed to have an impact on the effectiveness of the model. It is always possible to obtain a frontier, but if the number of organs in the distribution is small (< 160), it may not represent de lowest dose achievable. These results will be used to determine number of cases necessary to adapt the model to other organs.« less

Radionuclide transfer in marine coastal ecosystems, a modelling study using metabolic processes and site data.

PubMed

Konovalenko, L; Bradshaw, C; Kumblad, L; Kautsky, U

2014-07-01

This study implements new site-specific data and improved process-based transport model for 26 elements (Ac, Ag, Am, Ca, Cl, Cm, Cs, Ho, I, Nb, Ni, Np, Pa, Pb, Pd, Po, Pu, Ra, Se, Sm, Sn, Sr, Tc, Th, U, Zr), and validates model predictions with site measurements and literature data. The model was applied in the safety assessment of a planned nuclear waste repository in Forsmark, Öregrundsgrepen (Baltic Sea). Radionuclide transport models are central in radiological risk assessments to predict radionuclide concentrations in biota and doses to humans. Usually concentration ratios (CRs), the ratio of the measured radionuclide concentration in an organism to the concentration in water, drive such models. However, CRs vary with space and time and CR estimates for many organisms are lacking. In the model used in this study, radionuclides were assumed to follow the circulation of organic matter in the ecosystem and regulated by radionuclide-specific mechanisms and metabolic rates of the organisms. Most input parameters were represented by log-normally distributed probability density functions (PDFs) to account for parameter uncertainty. Generally, modelled CRs for grazers, benthos, zooplankton and fish for the 26 elements were in good agreement with site-specific measurements. The uncertainty was reduced when the model was parameterized with site data, and modelled CRs were most similar to measured values for particle reactive elements and for primary consumers. This study clearly demonstrated that it is necessary to validate models with more than just a few elements (e.g. Cs, Sr) in order to make them robust. The use of PDFs as input parameters, rather than averages or best estimates, enabled the estimation of the probable range of modelled CR values for the organism groups, an improvement over models that only estimate means. Using a mechanistic model that is constrained by ecological processes enables (i) the evaluation of the relative importance of food and water uptake pathways and processes such as assimilation and excretion, (ii) the possibility to extrapolate within element groups (a common requirement in many risk assessments when initial model parameters are scarce) and (iii) predictions of radionuclide uptake in the ecosystem after changes in ecosystem structure or environmental conditions. These features are important for the longterm (>1000 year) risk assessments that need to be considered for a deep nuclear waste repository. Copyright © 2013. Published by Elsevier Ltd.

Including Effects of Water Stress on Dead Organic Matter Decay to a Forest Carbon Model

NASA Astrophysics Data System (ADS)

Kim, H.; Lee, J.; Han, S. H.; Kim, S.; Son, Y.

2017-12-01

Decay of dead organic matter is a key process of carbon (C) cycling in forest ecosystems. The change in decay rate depends on temperature sensitivity and moisture conditions. The Forest Biomass and Dead organic matter Carbon (FBDC) model includes a decay sub-model considering temperature sensitivity, yet does not consider moisture conditions as drivers of the decay rate change. This study aimed to improve the FBDC model by including a water stress function to the decay sub-model. Also, soil C sequestration under climate change with the FBDC model including the water stress function was simulated. The water stress functions were determined with data from decomposition study on Quercus variabilis forests and Pinus densiflora forests of Korea, and adjustment parameters of the functions were determined for both species. The water stress functions were based on the ratio of precipitation to potential evapotranspiration. Including the water stress function increased the explained variances of the decay rate by 19% for the Q. variabilis forests and 7% for the P. densiflora forests, respectively. The increase of the explained variances resulted from large difference in temperature range and precipitation range across the decomposition study plots. During the period of experiment, the mean annual temperature range was less than 3°C, while the annual precipitation ranged from 720mm to 1466mm. Application of the water stress functions to the FBDC model constrained increasing trend of temperature sensitivity under climate change, and thus increased the model-estimated soil C sequestration (Mg C ha-1) by 6.6 for the Q. variabilis forests and by 3.1 for the P. densiflora forests, respectively. The addition of water stress functions increased reliability of the decay rate estimation and could contribute to reducing the bias in estimating soil C sequestration under varying moisture condition. Acknowledgement: This study was supported by Korea Forest Service (2017044B10-1719-BB01)

Transport and fate of radionuclides in aquatic environments--the use of ecosystem modelling for exposure assessments of nuclear facilities.

PubMed

Kumblad, L; Kautsky, U; Naeslund, B

2006-01-01

In safety assessments of nuclear facilities, a wide range of radioactive isotopes and their potential hazard to a large assortment of organisms and ecosystem types over long time scales need to be considered. Models used for these purposes have typically employed approaches based on generic reference organisms, stylised environments and transfer functions for biological uptake exclusively based on bioconcentration factors (BCFs). These models are of non-mechanistic nature and involve no understanding of uptake and transport processes in the environment, which is a severe limitation when assessing real ecosystems. In this paper, ecosystem models are suggested as a method to include site-specific data and to facilitate the modelling of dynamic systems. An aquatic ecosystem model for the environmental transport of radionuclides is presented and discussed. With this model, driven and constrained by site-specific carbon dynamics and three radionuclide specific mechanisms: (i) radionuclide uptake by plants, (ii) excretion by animals, and (iii) adsorption to organic surfaces, it was possible to estimate the radionuclide concentrations in all components of the modelled ecosystem with only two radionuclide specific input parameters (BCF for plants and Kd). The importance of radionuclide specific mechanisms for the exposure to organisms was examined, and probabilistic and sensitivity analyses to assess the uncertainties related to ecosystem input parameters were performed. Verification of the model suggests that this model produces analogous results to empirically derived data for more than 20 different radionuclides.

Adaptable structural synthesis using advanced analysis and optimization coupled by a computer operating system

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, J.; Bhat, R. B.

1979-01-01

A finite element program is linked with a general purpose optimization program in a 'programing system' which includes user supplied codes that contain problem dependent formulations of the design variables, objective function and constraints. The result is a system adaptable to a wide spectrum of structural optimization problems. In a sample of numerical examples, the design variables are the cross-sectional dimensions and the parameters of overall shape geometry, constraints are applied to stresses, displacements, buckling and vibration characteristics, and structural mass is the objective function. Thin-walled, built-up structures and frameworks are included in the sample. Details of the system organization and characteristics of the component programs are given.

Structural and electronic properties of M-MOF-74 (M = Mg, Co or Mn)

NASA Astrophysics Data System (ADS)

de Oliveira, Aline; de Lima, Guilherme Ferreira; De Abreu, Heitor Avelino

2018-01-01

The Metal-Organic Frameworks M-MOF-74 (M = Mg, Co or Mn) were investigated through Density Functional Theory calculations. Structural parameters and band gap energies were determined in agreement with experimental data, with errors under 2%. The methods Electron Localization Function and Quantum Theory of Atoms in Molecules were applied to the analyses of the electronic density topology of the three solids. These methodologies indicated that the bonds between the metallic cations and the oxygen atoms are predominantly ionic while the other ones are predominantly covalent. Furthermore, non-conventional hydrogen bonds were identified to Mg-MOF-74 and Co-MOF-74, which were not observed to Mn-MOF-74.

The influence of intravenous laser irradiation of blood on some metabolic and functional parameters in intact rabbits and experimental cerebral ischaemia

NASA Astrophysics Data System (ADS)

Nechipurenko, N.; Vasilevskaya, L.; Musienko, J.; Maslova, G.

2007-07-01

It has been studied the intravenous laser irradiation of blood (ILIB) influence with helium-neon laser (HNL) of 630 nm wavelength on some of lipid peroxidation (LPO) and antioxidant system (AOS) findings, aside-base status (ABS) and blood oxygen transport (BOT), state of dermal microhaemodynamics (MGD) in the intact rabbits and after modeling of local ischemia of brain (LIB). Depending on conditions of organism functioning (norm or brain ischaemia) ILIB has resulted in stimulating or normalizing effects on the whole metabolic and microhaemocirculation processes which had been studied during our investigation. It is discussed the mechanisms of pathogenetic directivity of ILIB influence in cerebral ischaemia

The body's tailored suit: Skin as a mechanical interface.

PubMed

Tissot, Floriane S; Boulter, Etienne; Estrach, Soline; Féral, Chloé C

2016-11-01

Skin, by nature, is very similar to the Rouquayrol-Denayrouze suit mentioned by Jules Verne in Twenty Thousand Leagues Under the Sea: it allows "to risk (…) new physiological conditions without suffering any organic disorder". Mechanical cues, to the same extent as other environmental parameters, are such "new physiological conditions". Indeed, skin's primary function is to form a protective barrier to shield inner tissues from the external environment. This requires unique mechanical properties as well as the ability to sense mechanical cues from the environment in order to prevent or repair mechanical damages as well as to function as the primary mechanosensory interface of the whole body. Copyright © 2016 Elsevier GmbH. All rights reserved.

Self-organization of linear nanochannel networks

NASA Astrophysics Data System (ADS)

Annabattula, R. K.; Veenstra, J. M.; Mei, Y. F.; Schmidt, O. G.; Onck, P. R.

2010-06-01

A theoretical study has been conducted to explore the mechanics of self-organizing channel networks with dimensions in the submicron range and nanorange. The channels form by the partial release and bond back of prestressed thin films. In the release phase, the film spontaneously buckles into wrinkles of a certain wavelength, followed by a bond-back phase in which the final channel geometry is established through cohesive interface attractions. Results are presented in terms of the channel spacing, height, and width as a function of the film stiffness, thickness, eigenstrain, etch width, and interface energy. We have identified two dimensionless parameters that fully quantify the network assembly, showing excellent agreement with experiments. Our results provide valuable insight for the design of submicron and nanoscale channel networks with specific geometries.

Hard Spheres on the Primitive Surface

NASA Astrophysics Data System (ADS)

Dotera, Tomonari; Takahashi, Yusuke

2015-03-01

Recently hierarchical structures associated with the gyroid in several soft-matter systems have been reported. One of fundamental questions is regular arrangement or tiling on minimal surfaces. We have found certain numbers of hard spheres per unit cell on the gyroid surface are entropically self-organized. Here, new results for the primitive surface are presented. 56/64/72 per unit cell on the primitive minimal surface are entropically self-organized. Numerical evidences for the fluid-solid transition as a function of hard sphere radius are obtained in terms of the acceptance ratio of Monte Carlo moves and order parameters. These arrangements, which are the extensions of the hexagonal arrangement on a flat surface, can be viewed as hyperbolic tiling on the Poincaré disk with a negative Gaussian curvature.

A computational model of selection by consequences.

PubMed

McDowell, J J

2004-05-01

Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of computational experiments that arranged reinforcement according to random-interval (RI) schedules. The quantitative features of the model were varied over wide ranges in these experiments, and many of the qualitative features of the model also were varied. The digital organism consistently showed a hyperbolic relation between response and reinforcement rates, and this hyperbolic description of the data was consistently better than the description provided by other, similar, function forms. In addition, the parameters of the hyperbola varied systematically with the quantitative, and some of the qualitative, properties of the model in ways that were consistent with findings from biological organisms. These results suggest that the material events responsible for an organism's responding on RI schedules are computationally equivalent to Darwinian selection by consequences. They also suggest that the computational model developed here is worth pursuing further as a possible dynamic account of behavior.

Automated Analysis of Barley Organs Using 3D Laser Scanning: An Approach for High Throughput Phenotyping

PubMed Central

Paulus, Stefan; Dupuis, Jan; Riedel, Sebastian; Kuhlmann, Heiner

2014-01-01

Due to the rise of laser scanning the 3D geometry of plant architecture is easy to acquire. Nevertheless, an automated interpretation and, finally, the segmentation into functional groups are still difficult to achieve. Two barley plants were scanned in a time course, and the organs were separated by applying a histogram-based classification algorithm. The leaf organs were represented by meshing algorithms, while the stem organs were parameterized by a least-squares cylinder approximation. We introduced surface feature histograms with an accuracy of 96% for the separation of the barley organs, leaf and stem. This enables growth monitoring in a time course for barley plants. Its reliability was demonstrated by a comparison with manually fitted parameters with a correlation R2 = 0.99 for the leaf area and R2 = 0.98 for the cumulated stem height. A proof of concept has been given for its applicability for the detection of water stress in barley, where the extension growth of an irrigated and a non-irrigated plant has been monitored. PMID:25029283

Health-related quality-of-life parameters as independent prognostic factors in advanced or metastatic bladder cancer.

PubMed

Roychowdhury, D F; Hayden, A; Liepa, A M

2003-02-15

This retrospective analysis examined prognostic significance of health-related quality-of-life (HRQoL) parameters combined with baseline clinical factors on outcomes (overall survival, time to progressive disease, and time to treatment failure) in bladder cancer. Outcome and HRQoL (European Organization for Research and Treatment of Cancer Quality of Life Questionnaire C30) data were collected prospectively in a phase III study assessing gemcitabine and cisplatin versus methotrexate, vinblastine, doxorubicin, and cisplatin in locally advanced or metastatic bladder cancer. Prespecified baseline clinical factors (performance status, tumor-node-metastasis staging, visceral metastases [VM], alkaline phosphatase [AP] level, number of metastatic sites, prior radiotherapy, disease measurability, sex, time from diagnosis, and sites of disease) and selected HRQoL parameters (global QoL; all functional scales; symptoms: pain, fatigue, insomnia, dyspnea, anorexia) were evaluated using Cox's proportional hazards model. Factors with individual prognostic value (P <.05) on outcomes in univariate models were assessed for joint prognostic value in a multivariate model. A final model was developed using a backward selection strategy. Patients with baseline HRQoL were included (364 of 405, 90%). The final model predicted longer survival with low/normal AP levels, no VM, high physical functioning, low role functioning, and no anorexia. Positive prognostic factors for time to progressive disease were good performance status, low/normal AP levels, no VM, and minimal fatigue; for time to treatment failure, they were low/normal AP levels, minimal fatigue, and no anorexia. Global QoL was a significant predictor of outcome in univariate analyses but was not retained in the multivariate model. HRQoL parameters are independent prognostic factors for outcome in advanced bladder cancer; their prognostic importance needs further evaluation.

Purinergic effects of a hydroalcoholic Agaricus brasiliensis (A. blazei) extract on liver functions.

PubMed

de Oliveira, Andrea L; Eler, G Jacklin; Bracht, Adelar; Peralta, Rosane M

2010-06-23

The effects of a hydroalcoholic extract of Agaricus brasiliensis (A. blazei) on functional parameters in the perfused rat liver were examined with emphasis on its content of nucleotides and nucleosides. Several nucleosides and nucleotides were identified in the A. brasiliensis extract, which was active on several liver functions. A significant part of the effects is the result of the purinergic action of nucleosides and nucleotides: pressure increment, glycogenolysis stimulation, transient inhibition of oxygen consumption, and redox state changes. Other phenomena such as the stimulation of gluconeogenesis, ureogenesis, and oxygen consumption are more likely consequences of the metabolic transformation of substrates contained within the extract, especially amino acids. It seems apparent that consumption of A. brasiliensis represents not only the ingestion of metabolic precursors but also the ingestion of substances that, even at low concentrations, can exert important signaling functions in the liver as well as in the organism as a whole.

Digitally controlled sonars

NASA Technical Reports Server (NTRS)

Hansen, G. R.

1983-01-01

Sonars are usually designed and constructed as stand alone instruments. That is, all elements or subsystems of the sonar are provided: power conditioning, displays, intercommunications, control, receiver, transmitter, and transducer. The sonars which are a part of the Advanced Ocean Test Development Platform (AOTDP) represent a departure from this manner of implementation and are configured more like an instrumentation system. Only the transducer, transmitter, and receiver which are unique to a particular sonar function; Up, Down, Side Scan, exist as separable subsystems. The remaining functions are reserved to the AOTDP and serve all sonars and other instrumentation in a shared manner. The organization and functions of the common AOTDP elements were described and then the interface with the sonars discussed. The techniques for software control of the sonar parameters were explained followed by the details of the realization of the sonar functions and some discussion of the performance of the side scan sonars.

[Mathematic concept model of accumulation of functional disorders associated with environmental factors].

PubMed

Zaĭtseva, N V; Trusov, P V; Kir'ianov, D A

2012-01-01

The mathematic concept model presented describes accumulation of functional disorders associated with environmental factors, plays predictive role and is designed for assessments of possible effects caused by heterogenous factors with variable exposures. Considering exposure changes with self-restoration process opens prospects of using the model to evaluate, analyse and manage occupational risks. To develop current theoretic approaches, the authors suggested a model considering age-related body peculiarities, systemic interactions of organs, including neuro-humoral regulation, accumulation of functional disorders due to external factors, rehabilitation of functions during treatment. General objective setting covers defining over a hundred unknow coefficients that characterize speed of various processes within the body. To solve this problem, the authors used iteration approach, successive identification, that starts from the certain primary approximation of the model parameters and processes subsequent updating on the basis of new theoretic and empirical knowledge.

A Moisture Function of Soil Heterotrophic Respiration Derived from Pore-scale Mechanisms

NASA Astrophysics Data System (ADS)

Yan, Z.; Todd-Brown, K. E.; Bond-Lamberty, B. P.; Bailey, V.; Liu, C.

2017-12-01

Soil heterotrophic respiration (HR) is an important process controlling carbon (C) flux, but its response to changes in soil water content (θ) is poorly understood. Earth system models (ESMs) use empirical moisture functions developed from specific sites to describe the HR-θ relationship in soils, introducing significant uncertainty. Generalized models derived from mechanisms that control substrate availability and microbial respiration are thus urgently needed. Here we derive, present, and test a novel moisture function fp developed from pore-scale mechanisms. This fp encapsulates primary physicochemical and biological processes controlling HR response to moisture variation in soils. We tested fp against a wide range of published data for different soil types, and found that fp reliably predicted diverse HR- relationships. The mathematical relationship between the parameters in fp and macroscopic soil properties such as porosity and organic C content was also established, enabling to estimate fp using soil properties. Compared with empirical moisture functions used in ESMs, this derived fp could reduce uncertainty in predicting the response of soil organic C stock to climate changes. In addition, this work is one of the first studies to upscale a mechanistic soil HR model based on pore-scale processes, thus linking the pore-scale mechanisms with macroscale observations.

A functional-structural model of rice linking quantitative genetic information with morphological development and physiological processes.

PubMed

Xu, Lifeng; Henke, Michael; Zhu, Jun; Kurth, Winfried; Buck-Sorlin, Gerhard

2011-04-01

Although quantitative trait loci (QTL) analysis of yield-related traits for rice has developed rapidly, crop models using genotype information have been proposed only relatively recently. As a first step towards a generic genotype-phenotype model, we present here a three-dimensional functional-structural plant model (FSPM) of rice, in which some model parameters are controlled by functions describing the effect of main-effect and epistatic QTLs. The model simulates the growth and development of rice based on selected ecophysiological processes, such as photosynthesis (source process) and organ formation, growth and extension (sink processes). It was devised using GroIMP, an interactive modelling platform based on the Relational Growth Grammar formalism (RGG). RGG rules describe the course of organ initiation and extension resulting in final morphology. The link between the phenotype (as represented by the simulated rice plant) and the QTL genotype was implemented via a data interface between the rice FSPM and the QTLNetwork software, which computes predictions of QTLs from map data and measured trait data. Using plant height and grain yield, it is shown how QTL information for a given trait can be used in an FSPM, computing and visualizing the phenotypes of different lines of a mapping population. Furthermore, we demonstrate how modification of a particular trait feeds back on the entire plant phenotype via the physiological processes considered. We linked a rice FSPM to a quantitative genetic model, thereby employing QTL information to refine model parameters and visualizing the dynamics of development of the entire phenotype as a result of ecophysiological processes, including the trait(s) for which genetic information is available. Possibilities for further extension of the model, for example for the purposes of ideotype breeding, are discussed.

Estimation of anisotropy parameters in organic-rich shale: Rock physics forward modeling approach

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

Herawati, Ida, E-mail: ida.herawati@students.itb.ac.id; Winardhi, Sonny; Priyono, Awali

Anisotropy analysis becomes an important step in processing and interpretation of seismic data. One of the most important things in anisotropy analysis is anisotropy parameter estimation which can be estimated using well data, core data or seismic data. In seismic data, anisotropy parameter calculation is generally based on velocity moveout analysis. However, the accuracy depends on data quality, available offset, and velocity moveout picking. Anisotropy estimation using seismic data is needed to obtain wide coverage of particular layer anisotropy. In anisotropic reservoir, analysis of anisotropy parameters also helps us to better understand the reservoir characteristics. Anisotropy parameters, especially ε, aremore » related to rock property and lithology determination. Current research aims to estimate anisotropy parameter from seismic data and integrate well data with case study in potential shale gas reservoir. Due to complexity in organic-rich shale reservoir, extensive study from different disciplines is needed to understand the reservoir. Shale itself has intrinsic anisotropy caused by lamination of their formed minerals. In order to link rock physic with seismic response, it is necessary to build forward modeling in organic-rich shale. This paper focuses on studying relationship between reservoir properties such as clay content, porosity and total organic content with anisotropy. Organic content which defines prospectivity of shale gas can be considered as solid background or solid inclusion or both. From the forward modeling result, it is shown that organic matter presence increases anisotropy in shale. The relationships between total organic content and other seismic properties such as acoustic impedance and Vp/Vs are also presented.« less

Model Sensitivity and Use of the Comparative Finite Element Method in Mammalian Jaw Mechanics: Mandible Performance in the Gray Wolf

PubMed Central

Tseng, Zhijie Jack; Mcnitt-Gray, Jill L.; Flashner, Henryk; Wang, Xiaoming; Enciso, Reyes

2011-01-01

Finite Element Analysis (FEA) is a powerful tool gaining use in studies of biological form and function. This method is particularly conducive to studies of extinct and fossilized organisms, as models can be assigned properties that approximate living tissues. In disciplines where model validation is difficult or impossible, the choice of model parameters and their effects on the results become increasingly important, especially in comparing outputs to infer function. To evaluate the extent to which performance measures are affected by initial model input, we tested the sensitivity of bite force, strain energy, and stress to changes in seven parameters that are required in testing craniodental function with FEA. Simulations were performed on FE models of a Gray Wolf (Canis lupus) mandible. Results showed that unilateral bite force outputs are least affected by the relative ratios of the balancing and working muscles, but only ratios above 0.5 provided balancing-working side joint reaction force relationships that are consistent with experimental data. The constraints modeled at the bite point had the greatest effect on bite force output, but the most appropriate constraint may depend on the study question. Strain energy is least affected by variation in bite point constraint, but larger variations in strain energy values are observed in models with different number of tetrahedral elements, masticatory muscle ratios and muscle subgroups present, and number of material properties. These findings indicate that performance measures are differentially affected by variation in initial model parameters. In the absence of validated input values, FE models can nevertheless provide robust comparisons if these parameters are standardized within a given study to minimize variation that arise during the model-building process. Sensitivity tests incorporated into the study design not only aid in the interpretation of simulation results, but can also provide additional insights on form and function. PMID:21559475

Scanning ion conductance microscopy: a convergent high-resolution technology for multi-parametric analysis of living cardiovascular cells

PubMed Central

Miragoli, Michele; Moshkov, Alexey; Novak, Pavel; Shevchuk, Andrew; Nikolaev, Viacheslav O.; El-Hamamsy, Ismail; Potter, Claire M. F.; Wright, Peter; Kadir, S.H. Sheikh Abdul; Lyon, Alexander R.; Mitchell, Jane A.; Chester, Adrian H.; Klenerman, David; Lab, Max J.; Korchev, Yuri E.; Harding, Sian E.; Gorelik, Julia

2011-01-01

Cardiovascular diseases are complex pathologies that include alterations of various cell functions at the levels of intact tissue, single cells and subcellular signalling compartments. Conventional techniques to study these processes are extremely divergent and rely on a combination of individual methods, which usually provide spatially and temporally limited information on single parameters of interest. This review describes scanning ion conductance microscopy (SICM) as a novel versatile technique capable of simultaneously reporting various structural and functional parameters at nanometre resolution in living cardiovascular cells at the level of the whole tissue, single cells and at the subcellular level, to investigate the mechanisms of cardiovascular disease. SICM is a multimodal imaging technology that allows concurrent and dynamic analysis of membrane morphology and various functional parameters (cell volume, membrane potentials, cellular contraction, single ion-channel currents and some parameters of intracellular signalling) in intact living cardiovascular cells and tissues with nanometre resolution at different levels of organization (tissue, cellular and subcellular levels). Using this technique, we showed that at the tissue level, cell orientation in the inner and outer aortic arch distinguishes atheroprone and atheroprotected regions. At the cellular level, heart failure leads to a pronounced loss of T-tubules in cardiac myocytes accompanied by a reduction in Z-groove ratio. We also demonstrated the capability of SICM to measure the entire cell volume as an index of cellular hypertrophy. This method can be further combined with fluorescence to simultaneously measure cardiomyocyte contraction and intracellular calcium transients or to map subcellular localization of membrane receptors coupled to cyclic adenosine monophosphate production. The SICM pipette can be used for patch-clamp recordings of membrane potential and single channel currents. In conclusion, SICM provides a highly informative multimodal imaging platform for functional analysis of the mechanisms of cardiovascular diseases, which should facilitate identification of novel therapeutic strategies. PMID:21325316

Theory of Covalent Adsorbate Frontier Orbital Energies on Functionalized Light-Absorbing Semiconductor Surfaces.

PubMed

Yu, Min; Doak, Peter; Tamblyn, Isaac; Neaton, Jeffrey B

2013-05-16

Functional hybrid interfaces between organic molecules and semiconductors are central to many emerging information and solar energy conversion technologies. Here we demonstrate a general, empirical parameter-free approach for computing and understanding frontier orbital energies - or redox levels - of a broad class of covalently bonded organic-semiconductor surfaces. We develop this framework in the context of specific density functional theory (DFT) and many-body perturbation theory calculations, within the GW approximation, of an exemplar interface, thiophene-functionalized silicon (111). Through detailed calculations taking into account structural and binding energetics of mixed-monolayers consisting of both covalently attached thiophene and hydrogen, chlorine, methyl, and other passivating groups, we quantify the impact of coverage, nonlocal polarization, and interface dipole effects on the alignment of the thiophene frontier orbital energies with the silicon band edges. For thiophene adsorbate frontier orbital energies, we observe significant corrections to standard DFT (∼1 eV), including large nonlocal electrostatic polarization effects (∼1.6 eV). Importantly, both results can be rationalized from knowledge of the electronic structure of the isolated thiophene molecule and silicon substrate systems. Silicon band edge energies are predicted to vary by more than 2.5 eV, while molecular orbital energies stay similar, with the different functional groups studied, suggesting the prospect of tuning energy alignment over a wide range for photoelectrochemistry and other applications.

Assimilation of Sea Color Data Into A Three Dimensional Biogeochemical Model: Sensitivity Experiments

NASA Astrophysics Data System (ADS)

Echevin, V.; Levy, M.; Memery, L.

The assimilation of two dimensional sea color data fields into a 3 dimensional coupled dynamical-biogeochemical model is performed using a 4DVAR algorithm. The biogeochemical model includes description of nitrates, ammonium, phytoplancton, zooplancton, detritus and dissolved organic matter. A subset of the biogeochemical model poorly known parameters (for example,phytoplancton growth, mortality,grazing) are optimized by minimizing a cost function measuring misfit between the observations and the model trajectory. Twin experiments are performed with an eddy resolving model of 5 km resolution in an academic configuration. Starting from oligotrophic conditions, an initially unstable baroclinic anticyclone splits into several eddies. Strong vertical velocities advect nitrates into the euphotic zone and generate a phytoplancton bloom. Biogeochemical parameters are perturbed to generate surface pseudo-observations of chlorophyll,which are assimilated in the model in order to retrieve the correct parameter perturbations. The impact of the type of measurement (quasi-instantaneous, daily mean, weekly mean) onto the retrieved set of parameters is analysed. Impacts of additional subsurface measurements and of errors in the circulation are also presented.

Donor management parameters and organ yield: single center results.

PubMed

Marshall, George Ryne; Mangus, Richard S; Powelson, John A; Fridell, Jonathan A; Kubal, Chandrashekhar A; Tector, A Joseph

2014-09-01

Management of organ donors in the intensive care unit is an emerging subject in critical care and transplantation. This study evaluates organ yield outcomes for a large number of patients managed by the Indiana Organ Procurement Organization. This is a retrospective review of intensive care unit records from 2008-2012. Donor demographic information and seven donor management parameters (DMP) were recorded at admission, consent, 12 h after consent, and before procurement. Three study groups were created: donors meeting 0-3, 4, or 5-7 DMP. Active donor Organ Procurement Organization management began at consent; so, data analysis focuses on the 12-h postconsent time point. Outcomes included organs transplanted per donor (OTPD) and transplantation of individual solid organs. Complete records for 499 patients were reviewed. Organ yield was 1415 organs of 3992 possible (35%). At 12 h, donors meeting more DMP had more OTPD: 2.2 (0-3) versus 3.0 (4) versus 3.5 (5-7) (P < 0.01). Aggregate DMP met was significantly associated with transplantation of every organ except intestine. Oxygen tension, vasopressor use, and central venous pressure were the most frequent independent predictors of organ usage. There were significantly more organs transplanted for donors meeting all three of these parameters (4.5 versus 2.7, P < 0.01). Initial DMP met does not appear to be a significant prognostic factor for OTPD. Aggregate DMP is associated with transplantation rates for most organs, with analysis of individual parameters suggesting that appropriate management of oxygenation, volume status, and vasopressor use could lead to more organs procured per donor. Copyright © 2014 Elsevier Inc. All rights reserved.

Seasonal variability of stream water quality response to storm events captured using high-frequency and multi-parameter data

NASA Astrophysics Data System (ADS)

Fovet, O.; Humbert, G.; Dupas, R.; Gascuel-Odoux, C.; Gruau, G.; Jaffrezic, A.; Thelusma, G.; Faucheux, M.; Gilliet, N.; Hamon, Y.; Grimaldi, C.

2018-04-01

The response of stream chemistry to storm is of major interest for understanding the export of dissolved and particulate species from catchments. The related challenge is the identification of active hydrological flow paths during these events and of the sources of chemical elements for which these events are hot moments of exports. An original four-year data set that combines high frequency records of stream flow, turbidity, nitrate and dissolved organic carbon concentrations, and piezometric levels was used to characterize storm responses in a headwater agricultural catchment. The data set was used to test to which extend the shallow groundwater was impacting the variability of storm responses. A total of 177 events were described using a set of quantitative and functional descriptors related to precipitation, stream and groundwater pre-event status and event dynamics, and to the relative dynamics between water quality parameters and flow via hysteresis indices. This approach led to identify different types of response for each water quality parameter which occurrence can be quantified and related to the seasonal functioning of the catchment. This study demonstrates that high-frequency records of water quality are precious tools to study/unique in their ability to emphasize the variability of catchment storm responses.

Automatic Segmenting Structures in MRI's Based on Texture Analysis and Fuzzy Logic

NASA Astrophysics Data System (ADS)

Kaur, Mandeep; Rattan, Munish; Singh, Pushpinder

2017-12-01

The purpose of this paper is to present the variational method for geometric contours which helps the level set function remain close to the sign distance function, therefor it remove the need of expensive re-initialization procedure and thus, level set method is applied on magnetic resonance images (MRI) to track the irregularities in them as medical imaging plays a substantial part in the treatment, therapy and diagnosis of various organs, tumors and various abnormalities. It favors the patient with more speedy and decisive disease controlling with lesser side effects. The geometrical shape, the tumor's size and tissue's abnormal growth can be calculated by the segmentation of that particular image. It is still a great challenge for the researchers to tackle with an automatic segmentation in the medical imaging. Based on the texture analysis, different images are processed by optimization of level set segmentation. Traditionally, optimization was manual for every image where each parameter is selected one after another. By applying fuzzy logic, the segmentation of image is correlated based on texture features, to make it automatic and more effective. There is no initialization of parameters and it works like an intelligent system. It segments the different MRI images without tuning the level set parameters and give optimized results for all MRI's.

The -29G/A FSH receptor gene polymorphism is associated with higher FSH and LH levels in normozoospermic men.

PubMed

Tamburino, L; La Vignera, S; Tomaselli, V; Condorelli, R A; Cannarella, R; Mongioì, L M; Calogero, A E

2017-10-01

The functional role of the FSHR promoter -29G/A polymorphism (rs1394205) in men is not clear. Some studies failed to find a relationship between the FSHR -29G/A and follicle-stimulating hormone (FSH) levels and did not associate the SNP with male infertility. Only one study showed that the FSHR -29 SNP modulates serum FSH levels in Baltic young male cohort. Because the SNP -29G/A has to be shown to have a strong effect on in vitro transcription activity of the FSHR promoter and the activation of FSHR is necessary for a normal FSH function, this study was undertaken to assess whether the FSHR -29G/A SNP modulates the gonadal endocrine function in men. A total of 200 men with alteration of conventional sperm parameters or normozoospermia (according to the parameters WHO 2010), were genotyped by TaqMan Assay. Hormone levels were measured by immunoassay, and sperm analysis was performed according to the World Health Organization criteria. A significant gradient of increasing FSH levels across the FSHR -29G/A genotypes was observed (p < 0.01). Among normozoospermic men (n = 110), those with FSHR -29A-allele carriers (GA + AA and AA) had higher serum FSH (p < 0.01) and LH levels (p < 0.05) and higher body mass index (BMI) (p < 0.01) compared to men with the GG genotype. The carrier status of rs1394205 genotypes did not affect the other endocrine parameters neither in men with altered sperm parameters nor in normozoospermic men. The FSHR -29G/A polymorphism modulates FSH and, for the first time, LH serum levels and BMI in normozoospermic men. These findings underline the importance to pay close attention to the studies of genetic variations associated with clinical-endocrine parameters.

White noise and synchronization shaping the age structure of the human population

NASA Astrophysics Data System (ADS)

Cebrat, Stanislaw; Biecek, Przemyslaw; Bonkowska, Katarzyna; Kula, Mateusz

2007-06-01

We have modified the standard diploid Penna model of ageing in such a way that instead of threshold of defective loci resulting in genetic death of individuals, the fluctuation of environment and "personal" fluctuations of individuals were introduced. The sum of the both fluctuations describes the health status of the individual. While environmental fluctuations are the same for all individuals in the population, the personal component of fluctuations is composed of fluctuations corresponding to each physiological function (gene, genetic locus). It is rather accepted hypothesis that physiological parameters of any organism fluctuate highly nonlinearly. Transition to the synchronized behaviors could be a very strong diagnostic signal of the life threatening disorder. Thus, in our model, mutations of genes change the chaotic fluctuations representing the function of a wild gene to the synchronized signals generated by mutated genes. Genes are switched on chronologically, like in the standard Penna model. Accumulation of defective genes predicted by Medawar's theory of ageing leads to the replacement of uncorrelated white noise corresponding to the healthy organism by the correlated signals of defective functions. As a result we have got the age distribution of population corresponding to the human demographic data.

Functional Metagenomic Investigations of Microbial Communities in a Shallow-Sea Hydrothermal System

PubMed Central

Tang, Kai; Liu, Keshao; Jiao, Nianzhi; Zhang, Yao; Chen, Chen-Tung Arthur

2013-01-01

Little is known about the functional capability of microbial communities in shallow-sea hydrothermal systems (water depth of <200 m). This study analyzed two high-throughput pyrosequencing metagenomic datasets from the vent and the surface water in the shallow-sea hydrothermal system offshore NE Taiwan. This system exhibited distinct geochemical parameters. Metagenomic data revealed that the vent and the surface water were predominated by Epsilonproteobacteria (Nautiliales-like organisms) and Gammaproteobacteria ( Thiomicrospira -like organisms), respectively. A significant difference in microbial carbon fixation and sulfur metabolism was found between the vent and the surface water. The chemoautotrophic microorganisms in the vent and in the surface water might possess the reverse tricarboxylic acid cycle and the Calvin−Bassham−Benson cycle for carbon fixation in response to carbon dioxide highly enriched in the environment, which is possibly fueled by geochemical energy with sulfur and hydrogen. Comparative analyses of metagenomes showed that the shallow-sea metagenomes contained some genes similar to those present in other extreme environments. This study may serve as a basis for deeply understanding the genetic network and functional capability of the microbial members of shallow-sea hydrothermal systems. PMID:23940820

Triphenylamine based organic dyes for dye sensitized solar cells: A theoretical approach

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

Mohankumar, V.; Pandian, Muthu Senthil; Ramasamy, P., E-mail: ramasamyp@ssn.edu.in

2016-05-23

The geometry, electronic structure and absorption spectra for newly designed triphenylamine based organic dyes were investigated by density functional theory (DFT) and time dependent density functional theory (TD-DFT) with the Becke 3-Parameter-Lee-Yang-parr(B3LYP) functional, where the 6-31G(d,p) basis set was employed. All calculations were performed using the Gaussian 09 software package. The calculated HOMO and LUMO energies show that charge transfer occurs in the molecule. Ultraviolet–visible (UV–vis) spectrum was simulated by TD-DFT in gas phase. The calculation shows that all of the dyes can potentially be good sensitizers for DSSC. The LUMOs are just above the conduction band of TiO{sub 2}more » and their HOMOs are under the reduction potential energy of the electrolytes (I{sup −}/I{sub 3}{sup −}) which can facilitate electron transfer from the excited dye to TiO{sub 2} and charge regeneration process after photo oxidation respectively. The simulated absorption spectrum of dyes match with solar spectrum. Frontier molecular orbital results show that among all the three dyes, the “dye 3” can be used as potential sensitizer for DSSC.« less

3D bioprinting of structural proteins.

PubMed

Włodarczyk-Biegun, Małgorzata K; Del Campo, Aránzazu

2017-07-01

3D bioprinting is a booming method to obtain scaffolds of different materials with predesigned and customized morphologies and geometries. In this review we focus on the experimental strategies and recent achievements in the bioprinting of major structural proteins (collagen, silk, fibrin), as a particularly interesting technology to reconstruct the biochemical and biophysical composition and hierarchical morphology of natural scaffolds. The flexibility in molecular design offered by structural proteins, combined with the flexibility in mixing, deposition, and mechanical processing inherent to bioprinting technologies, enables the fabrication of highly functional scaffolds and tissue mimics with a degree of complexity and organization which has only just started to be explored. Here we describe the printing parameters and physical (mechanical) properties of bioinks based on structural proteins, including the biological function of the printed scaffolds. We describe applied printing techniques and cross-linking methods, highlighting the modifications implemented to improve scaffold properties. The used cell types, cell viability, and possible construct applications are also reported. We envision that the application of printing technologies to structural proteins will enable unprecedented control over their supramolecular organization, conferring printed scaffolds biological properties and functions close to natural systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

Layer-by-layer-based silica encapsulation of individual yeast with thickness control.

PubMed

Lee, Hojae; Hong, Daewha; Choi, Ji Yu; Kim, Ji Yup; Lee, Sang Hee; Kim, Ho Min; Yang, Sung Ho; Choi, Insung S

2015-01-01

In the area of cell-surface engineering with nanomaterials, the metabolic and functional activities of the encapsulated cells are manipulated and controlled by various parameters of the artificial shells that encase the cells, such as stiffness and elasticity, thickness, and porosity. The mechanical durability and physicochemical stability of inorganic shells prove superior to layer-by-layer-based organic shells with regard to cytoprotection, but it has been difficult to vary the parameters of inorganic shells including their thickness. In this work, we combine the layer-by-layer technique with a process of bioinspired silicification to control the thickness of the silica shells that encapsulate yeast Saccharomyces cerevisiae cells individually, and investigate the thickness-dependent microbial growth. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Landau-de Gennes approach revisited: A minimal self-consistent microscopic theory for spatially inhomogeneous nematic liquid crystals

NASA Astrophysics Data System (ADS)

Gârlea, Ioana C.; Mulder, Bela M.

2017-12-01

We design a novel microscopic mean-field theory of inhomogeneous nematic liquid crystals formulated entirely in terms of the tensor order parameter field. It combines the virtues of the Landau-de Gennes approach in allowing both the direction and magnitude of the local order to vary, with a self-consistent treatment of the local free-energy valid beyond the small order parameter limit. As a proof of principle, we apply this theory to the well-studied problem of a colloid dispersed in a nematic liquid crystal by including a tunable wall coupling term. For the two-dimensional case, we investigate the organization of the liquid crystal and the position of the point defects as a function of the strength of the coupling constant.

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

The purpose of the computer program is to generate system matrices that model data acquisition process in dynamic single photon emission computed tomography (SPECT). The application is for the reconstruction of dynamic data from projection measurements that provide the time evolution of activity uptake and wash out in an organ of interest. The measurement of the time activity in the blood and organ tissue provide time-activity curves (TACs) that are used to estimate kinetic parameters. The program provides a correct model of the in vivo spatial and temporal distribution of radioactive in organs. The model accounts for the attenuation ofmore » the internal emitting radioactivity, it accounts for the vary point response of the collimators, and correctly models the time variation of the activity in the organs. One important application where the software is being used in a measuring the arterial input function (AIF) in a dynamic SPECT study where the data are acquired from a slow camera rotation. Measurement of the arterial input function (AIF) is essential to deriving quantitative estimates of regional myocardial blood flow using kinetic models. A study was performed to evaluate whether a slowly rotating SPECT system could provide accurate AIF's for myocardial perfusion imaging (MPI). Methods: Dynamic cardiac SPECT was first performed in human subjects at rest using a Phillips Precedence SPECT/CT scanner. Dynamic measurements of Tc-99m-tetrofosmin in the myocardium were obtained using an infusion time of 2 minutes. Blood input, myocardium tissue and liver TACs were estimated using spatiotemporal splines. These were fit to a one-compartment perfusion model to obtain wash-in rate parameters K1. Results: The spatiotemporal 4D ML-EM reconstructions gave more accurate reconstructions that did standard frame-by-frame 3D ML-EM reconstructions. From additional computer simulations and phantom studies, it was determined that a 1 minute infusion with a SPECT system rotation speed providing 180 degrees of projection data every 54s can produce measurements of blood pool and myocardial TACs. This has important application in the circulation of coronary flow reserve using rest/stress dynamic cardiac SPECT. They system matrices are used in maximum likelihood and maximum a posterior formulations in estimation theory where through iterative algorithms (conjugate gradient, expectation maximization, or maximum a posteriori probability algorithms) the solution is determined that maximizes a likelihood or a posteriori probability function.« less

A psychometric assessment of Disturbances in Self-Organization symptom indicators for ICD-11 Complex PTSD using the International Trauma Questionnaire.

PubMed

Shevlin, Mark; Hyland, Philip; Roberts, Neil P; Bisson, Jonathan I; Brewin, Chris R; Cloitre, Marylene

2018-01-01

Background : Two 'sibling disorders' have been proposed for the 11 th version of the International Classification of Diseases (ICD-11): Posttraumatic Stress Disorder (PTSD) and Complex PTSD (CPTSD). To date, no research has attempted to identify the optimal symptom indicators for the 'Disturbances in Self-Organization' (DSO) symptom cluster. Objective : The aim of the current study was to assess the psychometric performance of scores of 16 potential DSO symptom indicators from the International Trauma Questionnaire (ITQ). Criteria relating to score variability and their ability to discriminate were employed. Method : Participants ( N  = 1839) were a nationally representative household sample of non-institutionalized adults currently residing in the US. Item scores from the ITQ were examined in relation to basic criteria associated with interpretability, variability, homogeneity, and association with functional impairment. The performance of the DSO symptoms was also assessed using 1- and 2-parameter item response theory (IRT) models. Results : The distribution of responses for all DSO indicators met the criteria associated with interpretability, variability, homogeneity, and association with functional impairment. The 1-parameter graded response model was considered the best model and indicated that each set of indictors performed very similarly. Conclusions : The ITQ contains 16 DSO symptom indicators and they perform well in measuring their respective symptom cluster. There was no evidence that particular indicators were 'better' than others, and it was concluded that the indicators are essentially interchangeable.

Define of internal recirculation coefficient for biological wastewater treatment in anoxic and aerobic bioreactors

NASA Astrophysics Data System (ADS)

Rossinskyi, Volodymyr

2018-02-01

The biological wastewater treatment technologies in anoxic and aerobic bioreactors with recycle of sludge mixture are used for the effective removal of organic compounds from wastewater. The change rate of sludge mixture recirculation between bioreactors leads to a change and redistribution of concentrations of organic compounds in sludge mixture in bioreactors and change hydrodynamic regimes in bioreactors. Determination of the coefficient of internal recirculation of sludge mixture between bioreactors is important for the choice of technological parameters of biological treatment (wastewater treatment duration in anoxic and aerobic bioreactors, flow capacity of recirculation pumps). Determination of the coefficient of internal recirculation of sludge mixture requires integrated consideration of hydrodynamic parameter (flow rate), kinetic parameter (rate of oxidation of organic compounds) and physical-chemical parameter of wastewater (concentration of organic compounds). The conducted numerical experiment from the proposed mathematical equations allowed to obtain analytical dependences of the coefficient of internal recirculation sludge mixture between bioreactors on the concentration of organic compounds in wastewater, the duration of wastewater treatment in bioreactors.

Relationships among bulk soil physicochemical, biochemical, and microbiological parameters in an organic alfalfa-rice rotation system.

PubMed

Lopes, Ana R; Bello, Diana; Prieto-Fernández, Ángeles; Trasar-Cepeda, Carmen; Manaia, Célia M; Nunes, Olga C

2015-08-01

The microbial communities of bulk soil of rice paddy fields under an ancient organic agriculture regimen, consisting on an alfalfa-rice rotation system, were characterized. The drained soil of two adjacent paddies at different stages of the rotation was compared before rice seeding and after harvesting. The relationships among the soil microbial, physicochemical, and biochemical parameters were investigated using multivariate analyses. In the first year of rice cropping, aerobic cultivable heterotrophic populations correlated with lineages of presumably aerobic bacteria (e.g., Sphingobacteriales, Sphingomonadales). In the second year of rice cropping, the total C content correlated with presumable anaerobic bacteria (e.g., Anaerolineae). Independently of the year of rice cropping, before rice seeding, proteolytic activity correlated positively with the cultivable aerobic heterotrophic and ammonifier populations, the soil catabolic profile and with presumable aerobes (e.g., Sphingobacteriales, Rhizobiales) and anaerobes (e.g., Bacteroidales, Anaerolineae). After harvesting, strongest correlations were observed between cultivable diazotrophic populations and bacterial groups described as comprising N2 fixing members (e.g., Chloroflexi-Ellin6529, Betaproteobacteria, Alphaproteobacteria). It was demonstrated that chemical parameters and microbial functions were correlated with variations on the total bacterial community composition and structure occurring during rice cropping. A better understanding of these correlations and of their implications on soil productivity may be valid contributors for sustainable agriculture practices, based on ancient processes.

Important operational parameters of membrane bioreactor-sludge disintegration (MBR-SD) system for zero excess sludge production.

PubMed

Yoon, Seong-Hoon

2003-04-01

In order to prevent excess sludge production during wastewater treatment, a membrane bioreactor-sludge disintegration (MBR-SD) system has been introduced, where the disintegrated sludge is recycled to the bioreactor as a feed solution. In this study, a mathematical model was developed by incorporating a sludge disintegration term into the conventional activated sludge model and the relationships among the operational parameters were investigated. A new definition of F/M ratio for the MBR-SD system was suggested to evaluate the actual organic loading rate. The actual F/M ratio was expected to be much higher than the apparent F/M ratio in MBR-SD. The kinetic parameters concerning the biodegradability of organics hardly affect the system performance. Instead, sludge solubilization ratio (alpha) in the SD process and particulate hydrolysis rate constant (k(h)) in biological reaction determine the sludge disintegration number (SDN), which is related with the overall economics of the MBR-SD system. Under reasonable alpha and k(h) values, SDN would range between 3 and 5 which means the amount of sludge required to be disintegrated would be 3-5 times higher for preventing a particular amount of sludge production. Finally, normalized sludge disintegration rate (q/V) which is needed to maintain a certain level of MLSS in the MBR-SD system was calculated as a function of F/V ratio.

Ecological Risk Assessment of a Metal-Contaminated Area in the Tropics. Tier II: Detailed Assessment.

PubMed

Niemeyer, Júlia Carina; Moreira-Santos, Matilde; Ribeiro, Rui; Rutgers, Michiel; Nogueira, Marco Antonio; da Silva, Eduardo Mendes; Sousa, José Paulo

2015-01-01

This study presents data on the detailed evaluation (tier 2) of a site-specific ecological risk assessment (ssERA) in a former smelter area contaminated with metals (Santo Amaro, Bahia, Brazil). Combining information from three lines of evidence (LoE), chemical (ChemLoE), ecotoxicological (EcotoxLoE) and ecological (EcoLoE), in the Triad approach, integrated risk values were calculated to rank sites and confirm the potential risk disclosed with tier 1. Risk values were calculated for the habitat and for the retention functions in each sampling point. Habitat function included the ChemLoE calculated from total metal concentrations. The EcotoxLoE was based on reproduction tests with terrestrial invertebrates (Folsomia candida, Enchytraeus crypticus, Eisenia andrei), shoot length and plant biomass (Avena sativa, Brassica rapa). For the EcoLoE, ecological parameters (microbial parameters, soil invertebrate community, litter breakdown) were used to derive risk values. Retention function included the ChemLoE, calculated from extractable metal concentrations, and the EcotoxLoE based on eluate tests with aquatic organisms (Daphnia magna reproduction and Pseudokirchneriella subcapitata growth). Results related to the habitat function indicated that the metal residues are sufficient to cause risk to biota, while the low metal levels in extracts and the general lack of toxicity in aquatic tests indicated a high soil retention capacity in most sampling points. Integrated risk of tier 2 showed the same trend of tier 1, suggesting the need to proceed with remediation actions. The high risk levels were related to direct toxicity to organisms and indirect effects, such as failure in the establishment of vegetation and the consequent loss of habitat quality for microorganisms and soil fauna. This study shed some light on the selection of tools for the tier 2 of an ssERA in tropical metal-contaminated sites, focusing on ecological receptors at risk and using available chemical methods, ecological surveys and ecotoxicity tests.

Ecological Risk Assessment of a Metal-Contaminated Area in the Tropics. Tier II: Detailed Assessment

PubMed Central

Niemeyer, Júlia Carina; Moreira-Santos, Matilde; Ribeiro, Rui; Rutgers, Michiel; Nogueira, Marco Antonio; da Silva, Eduardo Mendes; Sousa, José Paulo

2015-01-01

This study presents data on the detailed evaluation (tier 2) of a site-specific ecological risk assessment (ssERA) in a former smelter area contaminated with metals (Santo Amaro, Bahia, Brazil). Combining information from three lines of evidence (LoE), chemical (ChemLoE), ecotoxicological (EcotoxLoE) and ecological (EcoLoE), in the Triad approach, integrated risk values were calculated to rank sites and confirm the potential risk disclosed with tier 1. Risk values were calculated for the habitat and for the retention functions in each sampling point. Habitat function included the ChemLoE calculated from total metal concentrations. The EcotoxLoE was based on reproduction tests with terrestrial invertebrates (Folsomia candida, Enchytraeus crypticus, Eisenia andrei), shoot length and plant biomass (Avena sativa, Brassica rapa). For the EcoLoE, ecological parameters (microbial parameters, soil invertebrate community, litter breakdown) were used to derive risk values. Retention function included the ChemLoE, calculated from extractable metal concentrations, and the EcotoxLoE based on eluate tests with aquatic organisms (Daphnia magna reproduction and Pseudokirchneriella subcapitata growth). Results related to the habitat function indicated that the metal residues are sufficient to cause risk to biota, while the low metal levels in extracts and the general lack of toxicity in aquatic tests indicated a high soil retention capacity in most sampling points. Integrated risk of tier 2 showed the same trend of tier 1, suggesting the need to proceed with remediation actions. The high risk levels were related to direct toxicity to organisms and indirect effects, such as failure in the establishment of vegetation and the consequent loss of habitat quality for microorganisms and soil fauna. This study shed some light on the selection of tools for the tier 2 of an ssERA in tropical metal-contaminated sites, focusing on ecological receptors at risk and using available chemical methods, ecological surveys and ecotoxicity tests. PMID:26528915

Introduction to a Virtual Issue on root traits

DOE PAGES

Norby, Richard J.; Iversen, Colleen M.

2017-05-31

Plant traits – ‘morphological, anatomical, physiological, biochem-ical and phenological characteristics of plants and their organs’(Kattge et al., 2011) – are increasingly being harnessed byempiricists and modelers as a framework to understand patternsin the structure and function of specie s across the globe. Trait-basedecology, which emphasizes functional traits over the taxonomicalrelationships among organisms (Laliberte, 2017), promises toimprove generality, synthesis, and predictive ability across ecolog-ical scales (Shipley et al., 2016). Indeed, plant trait studies areincreasingly prominent in the literature: a simple Web of Sciencesearch on the term indicates a surge in publications from 2576during the three-year period from 1999 to 2001 tomore » 13 234 in thethree-year period between 2014 and 2016. However, the mostcommon plant traits described in the literature relate to above -ground organs and their function, including leaf morphology,photosynthetic parameters, and above ground growth rate. Roottraits, particularly those of fine roots associated with criticalbelowground plant functions, are much less studied – they are, afterall, harder to measure and less likely to have a role in ecosystemmodels as they are encoded today. Although the TRY database ofplant traits (Kattge et al., 2011) has been a highly valuable resourcefor plant and ecosystem ecologists, < 1% of the data entries describefine-root functional traits. This glaring gap in our knowledge of thebelowground half of ecosystem function has led to a chorus of pleasin recent years for a stronger emphasis on the measurement andunderstanding of root traits (e.g . Bardgett et al., 2014).« less

Introduction to a Virtual Issue on root traits

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

Norby, Richard J.; Iversen, Colleen M.

Plant traits – ‘morphological, anatomical, physiological, biochem-ical and phenological characteristics of plants and their organs’(Kattge et al., 2011) – are increasingly being harnessed byempiricists and modelers as a framework to understand patternsin the structure and function of specie s across the globe. Trait-basedecology, which emphasizes functional traits over the taxonomicalrelationships among organisms (Laliberte, 2017), promises toimprove generality, synthesis, and predictive ability across ecolog-ical scales (Shipley et al., 2016). Indeed, plant trait studies areincreasingly prominent in the literature: a simple Web of Sciencesearch on the term indicates a surge in publications from 2576during the three-year period from 1999 to 2001 tomore » 13 234 in thethree-year period between 2014 and 2016. However, the mostcommon plant traits described in the literature relate to above -ground organs and their function, including leaf morphology,photosynthetic parameters, and above ground growth rate. Roottraits, particularly those of fine roots associated with criticalbelowground plant functions, are much less studied – they are, afterall, harder to measure and less likely to have a role in ecosystemmodels as they are encoded today. Although the TRY database ofplant traits (Kattge et al., 2011) has been a highly valuable resourcefor plant and ecosystem ecologists, < 1% of the data entries describefine-root functional traits. This glaring gap in our knowledge of thebelowground half of ecosystem function has led to a chorus of pleasin recent years for a stronger emphasis on the measurement andunderstanding of root traits (e.g . Bardgett et al., 2014).« less

Relation between Soil Order and Sorptive Capacity for Dissolved Organic Carbon

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

Heal, Katherine R; Brandt, Craig C; Mayes, Melanie

2012-01-01

Soils have historically been considered a temporary sink for organic C, but deeper soils may serve as longer term C sinks due to the sorption of dissolved organic C (DOC) onto Fe- and clay-rich mineral soil particles. This project provides an improved understanding and predictive capability of the physical and chemical properties of deep soils that control their sorptive capacities for DOC. Two hundred thirteen subsurface soil samples (72 series from five orders) were selected from the eastern and central United States. A characterized natural DOC source was added to the soils, and the Langmuir sorption equation was fitted tomore » the observed data by adjusting the maximum DOC sorption capacity (Q{sub max}) and the binding coefficient (k). Different isotherm shapes were observed for Ultisols, Alfisols, and Mollisols due to statistically significant differences in the magnitude of k, while Q{sub max} was statistically invariant among these three orders. Linear regressions were performed on the entire database and as a function of soil order to correlate Langmuir fitted parameters with measured soil properties, e.g., pH, clay content, total organic C (TOC), and total Fe oxide content. Together, textural clay and Fe oxide content accounted for 35% of the variation in Q{sub max} in the database, and clay was most important for Alfisols and Ultisols. The TOC content, however, accounted for 27% of the variation in Q{sub max} in Mollisols. Soil pH accounted for 45% of the variation in k for the entire database, 41% for Mollisols, and 22% for Alfisols. Our findings demonstrate that correlations between Langmuir parameters and soil properties are different for different soil orders and that k is a more sensitive parameter for DOC sorption than is Q{sub max} for temperate soils from the central and eastern United States.« less

Optical Extinction and Aerosol Hygroscopicity in the Southeastern United States

NASA Astrophysics Data System (ADS)

Brock, C. A.; Gordon, T.; Wagner, N.; Lack, D. A.; Richardson, M.; Middlebrook, A. M.; Liao, J.; Murphy, D. M.; Attwood, A. R.; Washenfelder, R. A.; Campuzano Jost, P.; Day, D. A.; Jimenez, J. L.; Carlton, A. M. G.

2015-12-01

Most aerosol particles take up water and grow as relative humidity increases, leading to increased optical extinction, reduced visibility, greater aerosol optical depths (AODs), and altered radiative forcing, even while dry particulate mass remains constant. Relative humidity varies greatly temporally, horizontally, and especially vertically. Thus hygroscopicity is a confounding factor when attempting to link satellite-based observations of AOD to surface measurements of particulate mass or to model predictions of aerosol mass concentrations. Airborne observations of aerosol optical, chemical, and microphysical properties were made in the southeastern United States in the daytime in summer 2013 during the NOAA SENEX and NASA SEAC4RS projects. Applying κ-Köhler theory for hygroscopic growth to these data, the inferred hygroscopicity parameter κ for the organic fraction of the aerosol was <0.11. This κ for organics is toward the lower end of values found from laboratory studies of the aerosol formed from oxidation of biogenic precursors and from several field studies in rural environments. The gamma (γ) parameterization is commonly used to describe the change in aerosol extinction as a function of relative humidity. Because this formulation did not fit the airborne data well, a new parameterization was developed that better describes the observations. This new single-parameter κext formulation is physically based and relies upon the well-known approximately linear relationship between particle volume and optical extinction. The fitted parameter, κext, is nonlinearly related to the chemically derived κ parameter used in κ-Köhler theory. The values of κext determined from the airborne measurements are consistent with independent observations at a nearby ground site.

Do morphometric parameters and geological conditions determine chemistry of glacier surface ice? Spatial distribution of contaminants present in the surface ice of Spitsbergen glaciers (European Arctic).

PubMed

Lehmann, Sara; Gajek, Grzegorz; Chmiel, Stanisław; Polkowska, Żaneta

2016-12-01

The chemism of the glaciers is strongly determined by long-distance transport of chemical substances and their wet and dry deposition on the glacier surface. This paper concerns spatial distribution of metals, ions, and dissolved organic carbon, as well as the differentiation of physicochemical parameters (pH, electrical conductivity) determined in ice surface samples collected from four Arctic glaciers during the summer season in 2012. The studied glaciers represent three different morphological types: ground based (Blomlibreen and Scottbreen), tidewater which evolved to ground based (Renardbreen), and typical tidewater glacier (Recherchebreen). All of the glaciers are functioning as a glacial system and hence are subject to the same physical processes (melting, freezing) and the process of ice flowing resulting from the cross-impact force of gravity and topographic conditions. According to this hypothesis, the article discusses the correlation between morphometric parameters, changes in mass balance, geological characteristics of the glaciers and the spatial distribution of analytes on the surface of ice. A strong correlation (r = 0.63) is recorded between the aspect of glaciers and values of pH and ions, whereas dissolved organic carbon (DOC) depends on the minimum elevation of glaciers (r = 0.55) and most probably also on the development of the accumulation area. The obtained results suggest that although certain morphometric parameters largely determine the spatial distribution of analytes, also the geology of the bed of glaciers strongly affects the chemism of the surface ice of glaciers in the phase of strong recession.

Seahorse Xfe24 Extracellular Flux Analyzer-based analysis of cellular respiration in Caenorhabditis elegans

PubMed Central

Luz, Anthony L.; Smith, Latasha L.; Rooney, John P.

2015-01-01

Mitochondria are critical for their role in ATP production as well as multiple nonenergetic functions, and mitochondrial dysfunction is causal in myriad human diseases. Less well appreciated is the fact that mitochondria integrate environmental and inter- as well as intracellular signals to modulate function. Because mitochondria function in an organismal milieu, there is need for assays capable of rapidly assessing mitochondrial health in vivo. Here, using the Seahorse XFe24 Extracellular Flux Analyzer and the pharmacological inhibitors dicyclohexylcarbodiimide (DCCD, ATP synthase inhibitor), carbonyl cyanide-p-trifluoromethoxyphenylhydrazone (FCCP, mitochondrial uncoupler) and sodium azide (cytochrome c oxidase inhibitor), we describe how to obtain in vivo measurements of the fundamental parameters (basal oxygen consumption rate (OCR), ATP-linked respiration, maximal OCR, spare respiratory capacity and proton leak) of the mitochondrial respiratory chain in the model organism Caenorhabditis elegans. PMID:26523474

Prevention of ischemia-reperfusion lung injury during static cold preservation by supplementation of standard preservation solution with HEMO2life® in pig lung transplantation model.

PubMed

Glorion, M; Polard, V; Favereau, F; Hauet, T; Zal, F; Fadel, E; Sage, E

2017-10-25

We describe the results of adding a new biological agent HEMO 2 life ® to a standard preservation solution for hypothermic static lung preservation aiming to improve early functional parameters after lung transplantation. HEMO 2 life ® is a natural oxygen carrier extracted from Arenicola marina with high oxygen affinity developed as an additive to standard organ preservation solutions. Standard preservation solution (Perfadex ® ) was compared with Perfadex ® associated with HEMO 2 life ® and with sham animals after 24 h of hypothermic preservation followed by lung transplantation. During five hours of lung reperfusion, functional parameters and biomarkers expression in serum and in bronchoalveolar lavage fluid (BALF) were measured. After five hours of reperfusion, HEMO 2 life ® group led to significant improvement in functional parameters: reduction of graft vascular resistance (p < .05) and increase in graft oxygenation ratio (p < .05). Several ischemia-reperfusion related biomarkers showed positive trends in the HEMO 2 life ® group: expression of HMG B1 in serum tended to be lower in comparison (2.1 ± 0.8 vs. 4.6 ± 1.5) with Perfadex ® group, TNF-α and IL-8 in BALF were significantly higher in the two experimental groups compared to control (p < .05). During cold ischemia, expression of HIF1α and histology remained unchanged and similar to control. Supplementation of the Perfadex ® solution by an innovative oxygen carrier HEMO 2 life ® during hypothermic static preservation improves early graft function after prolonged cold ischemia in lung transplantation.

Effects of zinc-fortified drinking skim milk (as functional food) on cytokine release and thymic hormone activity in very old persons: a pilot study.

PubMed

Costarelli, Laura; Giacconi, Robertina; Malavolta, Marco; Basso, Andrea; Piacenza, Francesco; DeMartiis, MariLuisa; Giannandrea, Elvio; Renieri, Carlo; Busco, Franco; Galeazzi, Roberta; Mocchegiani, Eugenio

2014-06-01

Zinc is a relevant nutritional factor for the whole life of an organism because it affects the inflammatory/immune response and antioxidant activity, leading to a healthy state. Despite its important function, the dietary intake of zinc is inadequate in elderly. Possible interventions include food fortification because it does not require changes in dietary patterns, the cost is low and it can reach a large portion of the elderly population, including very old subjects. Studies evaluating the impact of Zn-fortified foods on functional parameters in elderly, in particular, in very old individuals, are missing. The objective of this study was to evaluate the efficacy of consumption of a zinc-fortified drinking skim milk (Zn-FMilk) for a period of 2 months in comparison to standard non-fortified milk (No-FMilk) on some biochemical parameters, zinc status, inflammatory/immune response and on a key parameter of the T cell-mediated immunity (thymulin hormone) in healthy very old subjects. The treatment with zinc-fortified milk (Zn-FMilk) is a good omen to increase the cell-mediated immunity in very old age represented by thymulin activity and some cytokine (IL-12p70, IFN-γ) release. At clinical level, a good healthy state occurs in 70 % of the subjects with no hospitalization after 1 year of the follow-up in comparison to very old control subjects that did not participate to crossover design. In conclusion, the Zn-FMilk can be considered a good functional food for elderly, including older people. It might be a good replacement to the zinc tablets or lozenges taking into account the attitude of old people to uptake milk as a preferential food.

SU-E-T-39: A Logistic Function-Based Model to Predict Organ-At-Risk (OAR) DVH in IMRT Treatment Planning

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

Chen, S; Zhang, H; Zhang, B

2015-06-15

Purpose: To investigate the feasibility of a logistic function-based model to predict organ-at-risk (OAR) DVH for IMRT planning. The predicted DVHs are compared to achieved DVHs by expert treatment planners. Methods: A logistic function is used to model the OAR dose-gradient function. This function describes the percentage of the prescription dose as a function of the normal distance to PTV surface. The slope of dose-gradient function is function of relative spatial orientation of the PTV and OARs. The OAR DVH is calculated using the OAR dose-gradient function assuming that the dose is same for voxels with same normal distance tomore » PTV. Ten previously planned prostate IMRT plans were selected to build the model, and the following plan parameters were calculated as possible features to the model: the PTV maximum/minimum dose, PTV volume, bladder/rectum volume in the radiation field, percentage of bladder/rectum overlapping with PTV, and the distance between the bladder/rectum centroid and PTV. The bladder/rectum dose-gradient function was modeled and applied on 10 additional test cases, and the predicted and achieved clinical bladder/rectum DVHs were compared: V70 (percentage of volume receiving 70Gy and above), V65, V60, V55, V50, V45, V40. Results: The following parameters were selected as model features: PTV volume, and distance of centroid of rectum/bladder to PTV. The model was tested with 10 additional patients. For bladder, the absolute difference (mean±standard deviation) between predicted and clinical DVHs is V70=−0.3±3.2, V65=−0.8±3.9, V60=1.5±4.3, V55=1.7±5.3, V50=−0.6±6.4, V45=0.6±6.5, and V40=0.9±5.7, the correlation coefficient is 0.96; for rectum, the difference is V70=1.5±3.8, V65=1.2±4.2, V60=−0.1±5.3, V55=1.0±6.6, V50=1.6±8.7, V45=1.9±9.8, and V40=1.5±10.1, and the correlation coefficient is 0.87. Conclusion: The OAR DVH can be accurately predicted using the OAR dose-gradient function in IMRT plans. This approach may be used as a quality control tool and aid less experienced planners determine benchmarks for plan quality.« less

[The effect of sensory stimuli of varying modality on the human body functioning and indices of tense muscular activity].

PubMed

Kaĭdalin, V S; Kamchatnikov, A G; Sentiabrev, N N; Katuntsev, V P

2007-01-01

The work had a purpose to study benefits of aromatic blends of tonic and relaxing essences and functional music on some of the psychophysiological properties of the human functional state and motor activeity. Participants were 30 sprinters (18-22 y.o. males) having the first-class and master ranks. The psychophysiological indices of the athletes' functional state were evaluated with the use of the "CAH" and Spilberger situational anxiety tests, calculated Cardeu vegetative index, time for simple motor reaction and reaction to a moving object. Motor activity was evaluated by top running speed determined with a photo-electronic time-keeper and by duration of pedaling on bicycle ergometer at maximal power. The running step parameters were recorded with electropodography. It was shown that the positive effect of the aromatic essence blends and functional music on motor activity developed fairly rapidly but did not last long. The article discusses features and possible ways the aromatic blends and music effect human organism.

Desorption kinetics of hydrophobic organic chemicals from sediment to water: a review of data and models.

PubMed

Birdwell, Justin; Cook, Robert L; Thibodeaux, Louis J

2007-03-01

Resuspension of contaminated sediment can lead to the release of toxic compounds to surface waters where they are more bioavailable and mobile. Because the timeframe of particle resettling during such events is shorter than that needed to reach equilibrium, a kinetic approach is required for modeling the release process. Due to the current inability of common theoretical approaches to predict site-specific release rates, empirical algorithms incorporating the phenomenological assumption of biphasic, or fast and slow, release dominate the descriptions of nonpolar organic chemical release in the literature. Two first-order rate constants and one fraction are sufficient to characterize practically all of the data sets studied. These rate constants were compared to theoretical model parameters and functionalities, including chemical properties of the contaminants and physical properties of the sorbents, to determine if the trends incorporated into the hindered diffusion model are consistent with the parameters used in curve fitting. The results did not correspond to the parameter dependence of the hindered diffusion model. No trend in desorption rate constants, for either fast or slow release, was observed to be dependent on K(OC) or aqueous solubility for six and seven orders of magnitude, respectively. The same was observed for aqueous diffusivity and sediment fraction organic carbon. The distribution of kinetic rate constant values was approximately log-normal, ranging from 0.1 to 50 d(-1) for the fast release (average approximately 5 d(-1)) and 0.0001 to 0.1 d(-1) for the slow release (average approximately 0.03 d(-1)). The implications of these findings with regard to laboratory studies, theoretical desorption process mechanisms, and water quality modeling needs are presented and discussed.

Nitrogen removal performance and microbial community of an enhanced multistage A/O biofilm reactor treating low-strength domestic wastewater.

PubMed

Chen, Han; Li, Ang; Wang, Qiao; Cui, Di; Cui, Chongwei; Ma, Fang

2018-06-01

The low-strength domestic wastewater (LSDW) treatment with low chemical oxygen demand (COD) has drawn extensive attention for the poor total nitrogen (TN) removal performance. In the present study, an enhanced multistage anoxic/oxic (A/O) biofilm reactor was designed to improve the TN removal performance of the LSDW treatment. Efficient nitrifying and denitrifying biofilm carriers were cultivated and then filled into the enhanced biofilm reactor as the sole microbial source. Step-feed strategy and internal recycle were adopted to optimize the substrate distribution and the organics utilization. Key operational parameters were optimized to obtain the best nitrogen and organics removal efficiencies. A hydraulic retention time of 8 h, an influent distribution ratio of 2:1 and an internal recycle ratio of 200% were tested as the optimum parameters. The ammonium, TN and COD removal efficiencies under the optimal operational parameters separately achieved 99.75 ± 0.21, 59.51 ± 1.95 and 85.06 ± 0.79% with an organic loading rate at around 0.36 kg COD/m 3  d. The high-throughput sequencing technology confirmed that nitrifying and denitrifying biofilm could maintain functional bacteria in the system during long-period operation. Proteobacteria and Bacteroidetes were the dominant phyla in all the nitrifying and denitrifying biofilm samples. Nitrosomonadaceae_uncultured and Nitrospira sp. stably existed in nitrifying biofilm as the main nitrifiers, while several heterotrophic genera, such as Thauera sp. and Flavobacterium sp., acted as potential genera responsible for TN removal in denitrifying biofilm. These findings suggested that the enhanced biofilm reactor could be a promising route for the treatment of LSDW with a low COD level.

Non-steady state simulation of BOM removal in drinking water biofilters: model development.

PubMed

Hozalski, R M; Bouwer, E J

2001-01-01

A numerical model was developed to simulate the non-steady-state behavior of biologically-active filters used for drinking water treatment. The biofilter simulation model called "BIOFILT" simulates the substrate (biodegradable organic matter or BOM) and biomass (both attached and suspended) profiles in a biofilter as a function of time. One of the innovative features of BIOFILT compared to previous biofilm models is the ability to simulate the effects of a sudden loss in attached biomass or biofilm due to filter backwash on substrate removal performance. A sensitivity analysis of the model input parameters indicated that the model simulations were most sensitive to the values of parameters that controlled substrate degradation and biofilm growth and accumulation including the substrate diffusion coefficient, the maximum rate of substrate degradation, the microbial yield coefficient, and a dimensionless shear loss coefficient. Variation of the hydraulic loading rate or other parameters that controlled the deposition of biomass via filtration did not significantly impact the simulation results.

What must be the accuracy and target of optical sensor systems for patient monitoring?

NASA Astrophysics Data System (ADS)

Frank, Klaus H.; Kessler, Manfred D.

2002-06-01

Although the treatment in the intensive care unit has improved in recent years enabling greater surgical engagements and improving patients survival rate, no adequate monitoring is available in imminent severe pathological cases. Otherwise such kind of monitoring is necessary for early or prophylactic treatment in order to avoid or reduce the severity of the disease and protect the patient from sepsis or multiple organ failure. In these cases the common monitoring is limited, because clinical physiological and laboratory parameters indicate either the situation of macro-circulation or late disturbances of microcirculation, which arise previously on sub-cellular level. Optical sensor systems enable to reveal early variations in local capillary flow. The correlation between clinical parameters and changes in condition of oxygenation as a function of capillary flow disturbances is meaningful for the further treatment. The target should be to develop a predictive parameter, which is useful for detection and follow-up of changes in circulation.

Application of ADM1 for modeling of biogas production from anaerobic digestion of Hydrilla verticillata.

PubMed

Chen, Xiaojuan; Chen, Zhihua; Wang, Xun; Huo, Chan; Hu, Zhiquan; Xiao, Bo; Hu, Mian

2016-07-01

The present study focused on the application of anaerobic digestion model no. 1 (ADM1) to simulate biogas production from Hydrilla verticillata. Model simulation was carried out by implementing ADM1 in AQUASIM 2.0 software. Sensitivity analysis was used to select the most sensitive parameters for estimation using the absolute-relative sensitivity function. Among all the kinetic parameters, disintegration constant (kdis), hydrolysis constant of protein (khyd_pr), Monod maximum specific substrate uptake rate (km_aa, km_ac, km_h2) and half-saturation constants (Ks_aa, Ks_ac) affect biogas production significantly, which were optimized by fitting of the model equations to the data obtained from batch experiments. The ADM1 model after parameter estimation was able to well predict the experimental results of daily biogas production and biogas composition. The simulation results of evolution of organic acids, bacteria concentrations and inhibition effects also helped to get insight into the reaction mechanisms. Copyright © 2016. Published by Elsevier Ltd.

Natural abundance (25)Mg solid-state NMR of mg oxyanion systems: a combined experimental and computational study.

PubMed

Cahill, Lindsay S; Hanna, John V; Wong, Alan; Freitas, Jair C C; Yates, Jonathan R; Harris, Robin K; Smith, Mark E

2009-09-28

Solid-state (25)Mg magic angle spinning nuclear magnetic resonance (MAS NMR) data are reported from a range of organic and inorganic magnesium-oxyanion compounds at natural abundance. To constrain the determination of the NMR interaction parameters (delta(iso), chi(Q), eta(Q)) data have been collected at three external magnetic fields (11.7, 14.1 and 18.8 T). Corresponding NMR parameters have also been calculated by using density functional theory (DFT) methods using the GIPAW approach, with good correlations being established between experimental and calculated values of both chi(Q) and delta(iso). These correlations demonstrate that the (25)Mg NMR parameters are very sensitive to the structure, with small changes in the local Mg(2+) environment and the overall hydration state profoundly affecting the observed spectra. The observations suggest that (25)Mg NMR spectroscopy is a potentially potent probe for addressing some key problems in inorganic materials and of metal centres in biologically relevant molecules.

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

Wang, Hesheng, E-mail: hesheng@umich.edu; Feng, Mary; Jackson, Andrew

Purpose: To develop a local and global function model in the liver based on regional and organ function measurements to support individualized adaptive radiation therapy (RT). Methods and Materials: A local and global model for liver function was developed to include both functional volume and the effect of functional variation of subunits. Adopting the assumption of parallel architecture in the liver, the global function was composed of a sum of local function probabilities of subunits, varying between 0 and 1. The model was fit to 59 datasets of liver regional and organ function measures from 23 patients obtained before, during, andmore » 1 month after RT. The local function probabilities of subunits were modeled by a sigmoid function in relating to MRI-derived portal venous perfusion values. The global function was fitted to a logarithm of an indocyanine green retention rate at 15 minutes (an overall liver function measure). Cross-validation was performed by leave-m-out tests. The model was further evaluated by fitting to the data divided according to whether the patients had hepatocellular carcinoma (HCC) or not. Results: The liver function model showed that (1) a perfusion value of 68.6 mL/(100 g · min) yielded a local function probability of 0.5; (2) the probability reached 0.9 at a perfusion value of 98 mL/(100 g · min); and (3) at a probability of 0.03 [corresponding perfusion of 38 mL/(100 g · min)] or lower, the contribution to global function was lost. Cross-validations showed that the model parameters were stable. The model fitted to the data from the patients with HCC indicated that the same amount of portal venous perfusion was translated into less local function probability than in the patients with non-HCC tumors. Conclusions: The developed liver function model could provide a means to better assess individual and regional dose-responses of hepatic functions, and provide guidance for individualized treatment planning of RT.« less

Constriction model of actomyosin ring for cytokinesis by fission yeast using a two-state sliding filament mechanism

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

Jung, Yong-Woon; Mascagni, Michael, E-mail: Mascagni@fsu.edu

2014-09-28

We developed a model describing the structure and contractile mechanism of the actomyosin ring in fission yeast, Schizosaccharomyces pombe. The proposed ring includes actin, myosin, and α-actinin, and is organized into a structure similar to that of muscle sarcomeres. This structure justifies the use of the sliding-filament mechanism developed by Huxley and Hill, but it is probably less organized relative to that of muscle sarcomeres. Ring contraction tension was generated via the same fundamental mechanism used to generate muscle tension, but some physicochemical parameters were adjusted to be consistent with the proposed ring structure. Simulations allowed an estimate of ringmore » constriction tension that reproduced the observed ring constriction velocity using a physiologically possible, self-consistent set of parameters. Proposed molecular-level properties responsible for the thousand-fold slower constriction velocity of the ring relative to that of muscle sarcomeres include fewer myosin molecules involved, a less organized contractile configuration, a low α-actinin concentration, and a high resistance membrane tension. Ring constriction velocity is demonstrated as an exponential function of time despite a near linear appearance. We proposed a hypothesis to explain why excess myosin heads inhibit constriction velocity rather than enhance it. The model revealed how myosin concentration and elastic resistance tension are balanced during cytokinesis in S. pombe.« less

Biological mechanisms of normal tissue damage: importance for the design of NTCP models.

PubMed

Trott, Klaus-Rüdiger; Doerr, Wolfgang; Facoetti, Angelica; Hopewell, John; Langendijk, Johannes; van Luijk, Peter; Ottolenghi, Andrea; Smyth, Vere

2012-10-01

The normal tissue complication probability (NTCP) models that are currently being proposed for estimation of risk of harm following radiotherapy are mainly based on simplified empirical models, consisting of dose distribution parameters, possibly combined with clinical or other treatment-related factors. These are fitted to data from retrospective or prospective clinical studies. Although these models sometimes provide useful guidance for clinical practice, their predictive power on individuals seems to be limited. This paper examines the radiobiological mechanisms underlying the most important complications induced by radiotherapy, with the aim of identifying the essential parameters and functional relationships needed for effective predictive NTCP models. The clinical features of the complications are identified and reduced as much as possible into component parts. In a second step, experimental and clinical data are considered in order to identify the gross anatomical structures involved, and which dose distributions lead to these complications. Finally, the pathogenic pathways and cellular and more specific anatomical parameters that have to be considered in this pathway are determined. This analysis is carried out for some of the most critical organs and sites in radiotherapy, i.e. spinal cord, lung, rectum, oropharynx and heart. Signs and symptoms of severe late normal tissue complications present a very variable picture in the different organs at risk. Only in rare instances is the entire organ the critical target which elicits the particular complication. Moreover, the biological mechanisms that are involved in the pathogenesis differ between the different complications, even in the same organ. Different mechanisms are likely to be related to different shapes of dose effect relationships and different relationships between dose per fraction, dose rate, and overall treatment time and effects. There is good reason to conclude that each type of late complication after radiotherapy depends on its own specific mechanism which is triggered by the radiation exposure of particular structures or sub-volumes of (or related to) the respective organ at risk. Hence each complication will need the development of an NTCP model designed to accommodate this structure. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Analysis of aerobic granular sludge formation based on grey system theory.

PubMed

Zhang, Cuiya; Zhang, Hanmin

2013-04-01

Based on grey entropy analysis, the relational grade of operational parameters with aerobic granular sludge's granulation indicators was studied. The former consisted of settling time (ST), aeration time (AT), superficial gas velocity (SGV), height/diameter (H/D) ratio and organic loading rates (OLR), the latter included sludge volume index (SVI) and set-up time. The calculated result showed that for SVI and set-up time, the influence orders and the corresponding grey entropy relational grades (GERG) were: SGV (0.9935) > AT (0.9921) > OLR (0.9894) > ST (0.9876) > H/D (0.9857) and SGV (0.9928) > H/D (0.9914) > AT (0.9909) > OLR (0.9897) > ST (0.9878). The chosen parameters were all key impact factors as each GERG was larger than 0.98. SGV played an important role in improving SVI transformation and facilitating the set-up process. The influence of ST on SVI and set-up time was relatively low due to its dual functions. SVI transformation and rapid set-up demanded different optimal H/D ratio scopes (10-20 and 16-20). Meanwhile, different functions could be obtained through adjusting certain factors' scope.

Superparamagnetic And Paramagnetic MRI Contrast Agents: Application Of Rapid Magnetic Resonance Imaging To Assess Renal Function

NASA Astrophysics Data System (ADS)

Carvlin, Mark J.; Renshaw, Perry F.; Arger, Peter; Kundel, Harold L.; Dougherty, Larry; Axel, Leon; Kassab, Eleanor; Moore, Bethanne

1988-06-01

The paramagnetic chelate complex, gadolinium-diethylene-triamine-pentaacetic acid, Gd-DTPA, and superparamagnetic particles, such as those composed of dextran coated magnetite, function as magnetic resonance contrast agents by changing the relaxation rates, 1/T1 and 1/T2. The effects that these agents have upon MR signal intensity are determined by: the inherent biophysical properties of the tissue being imaged, the concentration of the contrast agent and the data acquisition scheme (pulse sequence parameters) employed. Following the time course of MR signal change in the first minutes after the injection of contrast agent(s) allows a dynamic assessment of organ functions in a manner analogous to certain nuclear medicine studies. In order to study renal function, sequential MR fast scan images, gradient echo (TR=35/TE=7 msec, flip angle=25 degrees), were acquired, one every 12 seconds, after intravenous injection of Gd-DTPA and/or dextran-magnetite. Gd-DTPA, which is freely filtered at the glomerulus and is neither secreted nor reabsorbed, provides information concerning renal perfusion, glomerular filtration and tubular concentrating ability. Dextran-magnetite (200 A diameter), which is primarily contained within the intravascular space shortly after injection, provides information on blood flow to and distribution within the kidney. The MR signal change observed after administration of contrast agents varied dramatically depending upon the agents injected and the imaging parameters used. Hence a broad range of physiolgic processes may be described using these techniques, i.e. contrast agent enhanced functional MR examinations.

GeoChip-based analysis of microbial functional gene diversity in a landfill leachate-contaminated aquifer

USGS Publications Warehouse

Lu, Zhenmei; He, Zhili; Parisi, Victoria A.; Kang, Sanghoon; Deng, Ye; Van Nostrand, Joy D.; Masoner, Jason R.; Cozzarelli, Isabelle M.; Suflita, Joseph M.; Zhou, Jizhong

2012-01-01

The functional gene diversity and structure of microbial communities in a shallow landfill leachate-contaminated aquifer were assessed using a comprehensive functional gene array (GeoChip 3.0). Water samples were obtained from eight wells at the same aquifer depth immediately below a municipal landfill or along the predominant downgradient groundwater flowpath. Functional gene richness and diversity immediately below the landfill and the closest well were considerably lower than those in downgradient wells. Mantel tests and canonical correspondence analysis (CCA) suggested that various geochemical parameters had a significant impact on the subsurface microbial community structure. That is, leachate from the unlined landfill impacted the diversity, composition, structure, and functional potential of groundwater microbial communities as a function of groundwater pH, and concentrations of sulfate, ammonia, and dissolved organic carbon (DOC). Historical geochemical records indicate that all sampled wells chronically received leachate, and the increase in microbial diversity as a function of distance from the landfill is consistent with mitigation of the impact of leachate on the groundwater system by natural attenuation mechanisms.

Architecture of the sperm whale forehead facilitates ramming combat.

PubMed

Panagiotopoulou, Olga; Spyridis, Panagiotis; Mehari Abraha, Hyab; Carrier, David R; Pataky, Todd C

2016-01-01

Herman Melville's novel Moby Dick was inspired by historical instances in which large sperm whales (Physeter macrocephalus L.) sank 19th century whaling ships by ramming them with their foreheads. The immense forehead of sperm whales is possibly the largest, and one of the strangest, anatomical structures in the animal kingdom. It contains two large oil-filled compartments, known as the "spermaceti organ" and "junk," that constitute up to one-quarter of body mass and extend one-third of the total length of the whale. Recognized as playing an important role in echolocation, previous studies have also attributed the complex structural configuration of the spermaceti organ and junk to acoustic sexual selection, acoustic prey debilitation, buoyancy control, and aggressive ramming. Of these additional suggested functions, ramming remains the most controversial, and the potential mechanical roles of the structural components of the spermaceti organ and junk in ramming remain untested. Here we explore the aggressive ramming hypothesis using a novel combination of structural engineering principles and probabilistic simulation to determine if the unique structure of the junk significantly reduces stress in the skull during quasi-static impact. Our analyses indicate that the connective tissue partitions in the junk reduce von Mises stresses across the skull and that the load-redistribution functionality of the former is insensitive to moderate variation in tissue material parameters, the thickness of the partitions, and variations in the location and angle of the applied load. Absence of the connective tissue partitions increases skull stresses, particularly in the rostral aspect of the upper jaw, further hinting of the important role the architecture of the junk may play in ramming events. Our study also found that impact loads on the spermaceti organ generate lower skull stresses than an impact on the junk. Nevertheless, whilst an impact on the spermaceti organ would reduce skull stresses, it would also cause high compressive stresses on the anterior aspect of the organ and the connective tissue case, possibly making these structures more prone to failure. This outcome, coupled with the facts that the spermaceti organ houses sensitive and essential sonar producing structures and the rostral portion of junk, rather than the spermaceti organ, is frequently a site of significant scarring in mature males suggest that whales avoid impact with the spermaceti organ. Although the unique structure of the junk certainly serves multiple functions, our results are consistent with the hypothesis that the structure also evolved to function as a massive battering ram during male-male competition.

[Automated system for study of mechanical properties of the organs and tissues on the basis of the apparatus for resonance vibrotherapy "Landysh"].

PubMed

Razumov, A N; Timofeev, A B; Mukhtarov, E I; Korchazhkina, N B; Timofeev, G A

2005-01-01

The measuring-calculating system uniting the system for resonant vibrotherapy "Landysh", the analog-digital converter and computer is submitted. The system allows not only to carry out therapeutic action on a body tissues by vibration, but also to register the response of organism to this action, to supervise efficiency depend upon change of parameters of self-oscillations and mechanical characteristics of tissue. Results of study of influence of resonant vibrotherapy on posttraumatic hypostases of soft tissues in patients with consequences adnate fractures are presented. The system can be used in urology and andrology for study of erection function in men, and also for biological tests of various chemical compounds in pharmacology, toxicology, dermatology and cosmetology.

Self-Organized Supercriticality and Oscillations in Networks of Stochastic Spiking Neurons

NASA Astrophysics Data System (ADS)

Costa, Ariadne; Brochini, Ludmila; Kinouchi, Osame

2017-08-01

Networks of stochastic spiking neurons are interesting models in the area of Theoretical Neuroscience, presenting both continuous and discontinuous phase transitions. Here we study fully connected networks analytically, numerically and by computational simulations. The neurons have dynamic gains that enable the network to converge to a stationary slightly supercritical state (self-organized supercriticality or SOSC) in the presence of the continuous transition. We show that SOSC, which presents power laws for neuronal avalanches plus some large events, is robust as a function of the main parameter of the neuronal gain dynamics. We discuss the possible applications of the idea of SOSC to biological phenomena like epilepsy and dragon king avalanches. We also find that neuronal gains can produce collective oscillations that coexists with neuronal avalanches, with frequencies compatible with characteristic brain rhythms.

Classification capacity of a modular neural network implementing neurally inspired architecture and training rules.

PubMed

Poirazi, Panayiota; Neocleous, Costas; Pattichis, Costantinos S; Schizas, Christos N

2004-05-01

A three-layer neural network (NN) with novel adaptive architecture has been developed. The hidden layer of the network consists of slabs of single neuron models, where neurons within a slab--but not between slabs--have the same type of activation function. The network activation functions in all three layers have adaptable parameters. The network was trained using a biologically inspired, guided-annealing learning rule on a variety of medical data. Good training/testing classification performance was obtained on all data sets tested. The performance achieved was comparable to that of SVM classifiers. It was shown that the adaptive network architecture, inspired from the modular organization often encountered in the mammalian cerebral cortex, can benefit classification performance.

Clinical and Radiological Profile of Acute Fibrinous and Organizing Pneumonia: A Retrospective Study.

PubMed

Dai, Jing-Hong; Li, Hui; Shen, Wei; Miao, Li-Yun; Xiao, Yong-Long; Huang, Mei; Cao, Meng-Shu; Wang, Yang; Zhu, Bin; Meng, Fan-Qing; Cai, Hou-Rong

2015-10-20

Acute fibrinous and organizing pneumonia (AFOP) is a unique pathological entity with intra-alveolar fibrin in the form of "fibrin balls" and organizing pneumonia. It was divided into rare idiopathic interstitial pneumonia according to the classification notified by American Thoracic Society/European Respiratory Society in 2013. As a rare pathological entity, it is still not well known and recognized by clinicians. We reviewed the clinical features of 20 patients with AFOP diagnosed in a teaching hospital. The medical records of 20 patients with biopsy-proven diagnosis of AFOP were retrospectively reviewed. The patients' symptoms, duration of the disease, comorbidities, clinical laboratory data, pulmonary function testing, radiographic studies, and the response to treatment were extracted and analyzed. Fever was the most common symptom and was manifested in 90% of AFOP patients. For clinical laboratory findings, systematic inflammatory indicators, including C-reactive protein and erythrocyte sedimentation rate, were significantly higher than normal in AFOP patients. In accordance with this increased indicators, injured liver functions were common in AFOP patients. Inversely, AFOP patients had worse clinical conditions including anemia and hypoalbuminemia. For pulmonary function testing, AFOP patients showed the pattern of restrictive mixed with obstructive ventilation dysfunction. For high-resolution computerized tomography (HRCT) findings, the most common pattern for AFOP patients was lobar consolidation which was very similar to pneumonia. However, unlike pneumonia, AFOP patients responded well to glucocorticoids. Patients with AFOP manifest as acute inflammatory-like clinical laboratory parameters and lobar consolidation on HRCT, but respond well to steroid.

The fractal geometry of life.

PubMed

Losa, Gabriele A

2009-01-01

The extension of the concepts of Fractal Geometry (Mandelbrot [1983]) toward the life sciences has led to significant progress in understanding complex functional properties and architectural / morphological / structural features characterising cells and tissues during ontogenesis and both normal and pathological development processes. It has even been argued that fractal geometry could provide a coherent description of the design principles underlying living organisms (Weibel [1991]). Fractals fulfil a certain number of theoretical and methodological criteria including a high level of organization, shape irregularity, functional and morphological self-similarity, scale invariance, iterative pathways and a peculiar non-integer fractal dimension [FD]. Whereas mathematical objects are deterministic invariant or self-similar over an unlimited range of scales, biological components are statistically self-similar only within a fractal domain defined by upper and lower limits, called scaling window, in which the relationship between the scale of observation and the measured size or length of the object can be established (Losa and Nonnenmacher [1996]). Selected examples will contribute to depict complex biological shapes and structures as fractal entities, and also to show why the application of the fractal principle is valuable for measuring dimensional, geometrical and functional parameters of cells, tissues and organs occurring within the vegetal and animal realms. If the criteria for a strict description of natural fractals are met, then it follows that a Fractal Geometry of Life may be envisaged and all natural objects and biological systems exhibiting self-similar patterns and scaling properties may be considered as belonging to the new subdiscipline of "fractalomics".

Organic food processing: a framework for concept, starting definitions and evaluation.

PubMed

Kahl, Johannes; Alborzi, Farnaz; Beck, Alexander; Bügel, Susanne; Busscher, Nicolaas; Geier, Uwe; Matt, Darja; Meischner, Tabea; Paoletti, Flavio; Pehme, Sirli; Ploeger, Angelika; Rembiałkowska, Ewa; Schmid, Otto; Strassner, Carola; Taupier-Letage, Bruno; Załęcka, Aneta

2014-10-01

In 2007 EU Regulation (EC) 834/2007 introduced principles and criteria for organic food processing. These regulations have been analysed and discussed in several scientific publications and research project reports. Recently, organic food quality was described by principles, aspects and criteria. These principles from organic agriculture were verified and adapted for organic food processing. Different levels for evaluation were suggested. In another document, underlying paradigms and consumer perception of organic food were reviewed against functional food, resulting in identifying integral product identity as the underlying paradigm and a holistic quality view connected to naturalness as consumers' perception of organic food quality. In a European study, the quality concept was applied to the organic food chain, resulting in a problem, namely that clear principles and related criteria were missing to evaluate processing methods. Therefore the goal of this paper is to describe and discuss the topic of organic food processing to make it operational. A conceptual background for organic food processing is given by verifying the underlying paradigms and principles of organic farming and organic food as well as on organic processing. The proposed definition connects organic processing to related systems such as minimal, sustainable and careful, gentle processing, and describes clear principles and related criteria. Based on food examples, such as milk with different heat treatments, the concept and definitions were verified. Organic processing can be defined by clear paradigms and principles and evaluated according criteria from a multidimensional approach. Further work has to be done on developing indicators and parameters for assessment of organic food quality. © 2013 Society of Chemical Industry.

ESTIMATION OF PHYSICAL PROPERTIES AND CHEMICAL REACTIVITY PARAMETERS OF ORGANIC COMPOUNDS

EPA Science Inventory

The computer program SPARC (Sparc Performs Automated Reasoning in Chemistry)has been under development for several years to estimate physical properties and chemical reactivity parameters of organic compounds strictly from molecular structure. SPARC uses computational algorithms ...

Oil-generation kinetics for organic facies with Type-II and -IIS kerogen in the Menilite Shales of the Polish Carpathians

USGS Publications Warehouse

Lewan, M.D.; Kotarba, M.J.; Curtis, John B.; Wieclaw, D.; Kosakowski, P.

2006-01-01

The Menilite Shales (Oligocene) of the Polish Carpathians are the source of low-sulfur oils in the thrust belt and some high-sulfur oils in the Carpathian Foredeep. These oil occurrences indicate that the high-sulfur oils in the Foredeep were generated and expelled before major thrusting and the low-sulfur oils in the thrust belt were generated and expelled during or after major thrusting. Two distinct organic facies have been observed in the Menilite Shales. One organic facies has a high clastic sediment input and contains Type-II kerogen. The other organic facies has a lower clastic sediment input and contains Type-IIS kerogen. Representative samples of both organic facies were used to determine kinetic parameters for immiscible oil generation by isothermal hydrous pyrolysis and S2 generation by non-isothermal open-system pyrolysis. The derived kinetic parameters showed that timing of S2 generation was not as different between the Type-IIS and -II kerogen based on open-system pyrolysis as compared with immiscible oil generation based on hydrous pyrolysis. Applying these kinetic parameters to a burial history in the Skole unit showed that some expelled oil would have been generated from the organic facies with Type-IIS kerogen before major thrusting with the hydrous-pyrolysis kinetic parameters but not with the open-system pyrolysis kinetic parameters. The inability of open-system pyrolysis to determine earlier petroleum generation from Type-IIS kerogen is attributed to the large polar-rich bitumen component in S2 generation, rapid loss of sulfur free-radical initiators in the open system, and diminished radical selectivity and rate constant differences at higher temperatures. Hydrous-pyrolysis kinetic parameters are determined in the presence of water at lower temperatures in a closed system, which allows differentiation of bitumen and oil generation, interaction of free-radical initiators, greater radical selectivity, and more distinguishable rate constants as would occur during natural maturation. Kinetic parameters derived from hydrous pyrolysis show good correlations with one another (compensation effect) and kerogen organic-sulfur contents. These correlations allow for indirect determination of hydrous-pyrolysis kinetic parameters on the basis of the organic-sulfur mole fraction of an immature Type-II or -IIS kerogen. ?? 2006 Elsevier Inc. All rights reserved.

Blood flow analysis with considering nanofluid effects in vertical channel

NASA Astrophysics Data System (ADS)

Noreen, S.; Rashidi, M. M.; Qasim, M.

2017-06-01

Manipulation of heat convection of copper particles in blood has been considered peristaltically. Two-phase flow model is used in a channel with insulating walls. Flow analysis has been approved by assuming small Reynold number and infinite length of wave. Coupled equations are solved. Numerical solution are computed for the pressure gradient, axial velocity function and temperature. Influence of attention-grabbing parameters on flow entities has been analyzed. This study can be considered as mathematical representation to the vibrance of physiological systems/tissues/organs provided with medicine.

Development of requirements for environmental specimen banking in ecological monitoring (exemplified by the Chernobyl NPP accident area).

PubMed

Borzilov, V A

1993-11-01

Development of requirements for a data bank for natural media as a system of intercorrelated parameters to estimate system states are determined. The problems of functional agreement between experimental and calculation methods are analysed when organizing the ecological monitoring. The methods of forming the environmental specimen bank to estimate and forecast radioactive contamination and exposure dose are considered to be exemplified by the peculiarities of the spatial distribution of radioactive contamination in fields. Analysed is the temporal dynamics of contamination for atmospheric air, soil and water.

Modelling the role of national system of innovation in economical differentiation

NASA Astrophysics Data System (ADS)

Ruiz, Ricardo M.; Albuquerque, Eduardo; Ribeiro, Leonardo C.; Bernardes, Américo T.

2005-07-01

Nowadays it is well accepted that science and technology has a fundamental role in the economic development (GNP per capita) of any country. Aiming to study this role, we introduce a model that creates an artificial world economy that is a network of countries. Each country has its own national system of innovation (represented by a technological parameter). The interactions among the countries are given by functions that connect their prices, demands and incomes. Starting from random values, the artificial world economy self-organize itself and create hierarchies of countries.

Biotic responses buffer warming-induced soil organic carbon loss in Arctic tundra.

PubMed

Liang, Junyi; Xia, Jiangyang; Shi, Zheng; Jiang, Lifen; Ma, Shuang; Lu, Xingjie; Mauritz, Marguerite; Natali, Susan M; Pegoraro, Elaine; Penton, C Ryan; Plaza, César; Salmon, Verity G; Celis, Gerardo; Cole, James R; Konstantinidis, Konstantinos T; Tiedje, James M; Zhou, Jizhong; Schuur, Edward A G; Luo, Yiqi

2018-05-26

Climate warming can result in both abiotic (e.g., permafrost thaw) and biotic (e.g., microbial functional genes) changes in Arctic tundra. Recent research has incorporated dynamic permafrost thaw in Earth system models (ESMs) and indicates that Arctic tundra could be a significant future carbon (C) source due to the enhanced decomposition of thawed deep soil C. However, warming-induced biotic changes may influence biologically related parameters and the consequent projections in ESMs. How model parameters associated with biotic responses will change under warming and to what extent these changes affect projected C budgets have not been carefully examined. In this study, we synthesized six data sets over five years from a soil warming experiment at the Eight Mile Lake, Alaska, into the Terrestrial ECOsystem (TECO) model with a probabilistic inversion approach. The TECO model used multiple soil layers to track dynamics of thawed soil under different treatments. Our results show that warming increased light use efficiency of vegetation photosynthesis but decreased baseline (i.e., environment-corrected) turnover rates of SOC in both the fast and slow pools in comparison with those under control. Moreover, the parameter changes generally amplified over time, suggesting processes of gradual physiological acclimation and functional gene shifts of both plants and microbes. The TECO model predicted that field warming from 2009 to 2013 resulted in cumulative C losses of 224 or 87 g m -2 , respectively, without or with changes in those parameters. Thus, warming-induced parameter changes reduced predicted soil C loss by 61%. Our study suggests that it is critical to incorporate biotic changes in ESMs to improve the model performance in predicting C dynamics in permafrost regions. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Patterning vascular networks in vivo for tissue engineering applications.

PubMed

Chaturvedi, Ritika R; Stevens, Kelly R; Solorzano, Ricardo D; Schwartz, Robert E; Eyckmans, Jeroen; Baranski, Jan D; Stapleton, Sarah Chase; Bhatia, Sangeeta N; Chen, Christopher S

2015-05-01

The ultimate design of functionally therapeutic engineered tissues and organs will rely on our ability to engineer vasculature that can meet tissue-specific metabolic needs. We recently introduced an approach for patterning the formation of functional spatially organized vascular architectures within engineered tissues in vivo. Here, we now explore the design parameters of this approach and how they impact the vascularization of an engineered tissue construct after implantation. We used micropatterning techniques to organize endothelial cells (ECs) into geometrically defined "cords," which in turn acted as a template after implantation for the guided formation of patterned capillaries integrated with the host tissue. We demonstrated that the diameter of the cords before implantation impacts the location and density of the resultant capillary network. Inclusion of mural cells to the vascularization response appears primarily to impact the dynamics of vascularization. We established that clinically relevant endothelial sources such as induced pluripotent stem cell-derived ECs and human microvascular endothelial cells can drive vascularization within this system. Finally, we demonstrated the ability to control the juxtaposition of parenchyma with perfused vasculature by implanting cords containing a mixture of both a parenchymal cell type (hepatocytes) and ECs. These findings define important characteristics that will ultimately impact the design of vasculature structures that meet tissue-specific needs.

Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function

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

Prill, Dragica; Juhas, Pavol; Billinge, Simon J. L.

2016-01-01

In this study, a method towards the solution and refinement of organic crystal structures by fitting to the atomic pair distribution function (PDF) is developed. Approximate lattice parameters and molecular geometry must be given as input. The molecule is generally treated as a rigid body. The positions and orientations of the molecules inside the unit cell are optimized starting from random values. The PDF is obtained from carefully measured X-ray powder diffraction data. The method resembles `real-space' methods for structure solution from powder data, but works with PDF data instead of the diffraction pattern itself. As such it may bemore » used in situations where the organic compounds are not long-range-ordered, are poorly crystalline, or nanocrystalline. The procedure was applied to solve and refine the crystal structures of quinacridone (β phase), naphthalene and allopurinol. In the case of allopurinol it was even possible to successfully solve and refine the structure in P1 with four independent molecules. As an example of a flexible molecule, the crystal structure of paracetamol was refined using restraints for bond lengths, bond angles and selected torsion angles. In all cases, the resulting structures are in excellent agreement with structures from single-crystal data.« less

TAD-free analysis of architectural proteins and insulators.

PubMed

Mourad, Raphaël; Cuvier, Olivier

2018-03-16

The three-dimensional (3D) organization of the genome is intimately related to numerous key biological functions including gene expression and DNA replication regulations. The mechanisms by which molecular drivers functionally organize the 3D genome, such as topologically associating domains (TADs), remain to be explored. Current approaches consist in assessing the enrichments or influences of proteins at TAD borders. Here, we propose a TAD-free model to directly estimate the blocking effects of architectural proteins, insulators and DNA motifs on long-range contacts, making the model intuitive and biologically meaningful. In addition, the model allows analyzing the whole Hi-C information content (2D information) instead of only focusing on TAD borders (1D information). The model outperforms multiple logistic regression at TAD borders in terms of parameter estimation accuracy and is validated by enhancer-blocking assays. In Drosophila, the results support the insulating role of simple sequence repeats and suggest that the blocking effects depend on the number of repeats. Motif analysis uncovered the roles of the transcriptional factors pannier and tramtrack in blocking long-range contacts. In human, the results suggest that the blocking effects of the well-known architectural proteins CTCF, cohesin and ZNF143 depend on the distance between loci, where each protein may participate at different scales of the 3D chromatin organization.

Mechanosensitive channels in bacteria as membrane tension reporters

NASA Technical Reports Server (NTRS)

Sukharev, S.

1999-01-01

The purpose of this short review is to discuss recent data on the molecular structure and mechanism of gating of MscL, a mechanosensitive channel of large conductance from Escherichia coli. MscL is the first isolated molecule shown to convert mechanical stress of the membrane into a simple response, the opening of a large aqueous pore. The functional complex appears to be a stable homo-pentamer of 15-kDa subunits, the gating transitions in which are driven by stretch forces conveyed through the lipid bilayer. We have measured the open probability of MscL and the kinetics of transitions as a function of membrane tension. The parameters extracted from the single-channel current recordings and dose-response curves such as the energy difference between the closed, open, and intermediate conducting states, and the transition-related changes in protein dimensions suggest a large conformational rearrangement of the channel complex. The estimations show that in native conditions MscL openings could be driven primarily by forces of osmotic nature. The thermodynamic and spatial parameters reasonably correlate with the available data on the structure of a single MscL subunit and multimeric organization of the complex. Combined with the functional analysis of mutations, these data give grounds to hypotheses on the nature of the channel mechanosensitivity.

Orthopaedic Application Of Spatio Temporal Analysis Of Body Form And Function

NASA Astrophysics Data System (ADS)

Tauber, C.; Au, J.; Bernstein, S.; Grant, A.; Pugh, J.

1983-07-01

Spatial and temporal analysis of walking provides the orthopaedist with objective evidence of functional ability and improvement in a patient. Patients with orthopaedic problems experiencing extreme pain and, consequently, irregularities in joint motions on weightbearing are videorecorded before, during and after a course of rehabilitative treatment and/or surgical correction of their disability. A specially-programmed computer analyzes these tapes for the parameters of walking by locating reflective spots which indicate the centers of the lower limb joints. The following parameters of gait are then generated: dynamic hip, knee and foot angles at various intervals during walking; vertical, horizontal and lateral displacements of each joint at various time intervals; linear and angular velocities of each joint; and the relationships between the joints during various phases of the gait cycle. The systematic sampling and analysis of the videorecordings by computer enable such information to be converted into and presented as computer graphics, as well as organized into tables of gait variables. This format of presentation of the skeletal adjustments involved in normal human motion provides the clinician with a visual format of gait information which objectively illuminates the multifaceted and complex factors involved. This system provides the clinician a method by which to evaluate the success of the regimen in terms of patient comfort and function.

The emerging potential of magnetic resonance imaging in personalizing radiotherapy for head and neck cancer: an oncologist's perspective.

PubMed

Wong, Kee H; Panek, Rafal; Bhide, Shreerang A; Nutting, Christopher M; Harrington, Kevin J; Newbold, Katie L

2017-03-01

Head and neck cancer (HNC) is a challenging tumour site for radiotherapy delivery owing to its complex anatomy and proximity to organs at risk (OARs) such as the spinal cord and optic apparatus. Despite significant advances in radiotherapy planning techniques, radiation-induced morbidities remain substantial. Further improvement would require high-quality imaging and tailored radiotherapy based on intratreatment response. For these reasons, the use of MRI in radiotherapy planning for HNC is rapidly gaining popularity. MRI provides superior soft-tissue contrast in comparison with CT, allowing better definition of the tumour and OARs. The lack of additional radiation exposure is another attractive feature for intratreatment monitoring. In addition, advanced MRI techniques such as diffusion-weighted, dynamic contrast-enhanced and intrinsic susceptibility-weighted MRI techniques are capable of characterizing tumour biology further by providing quantitative functional parameters such as tissue cellularity, vascular permeability/perfusion and hypoxia. These functional parameters are known to have radiobiological relevance, which potentially could guide treatment adaptation based on their changes prior to or during radiotherapy. In this article, we first present an overview of the applications of anatomical MRI sequences in head and neck radiotherapy, followed by the potentials and limitations of functional MRI sequences in personalizing therapy.

The emerging potential of magnetic resonance imaging in personalizing radiotherapy for head and neck cancer: an oncologist's perspective

PubMed Central

Panek, Rafal; Bhide, Shreerang A; Nutting, Christopher M; Harrington, Kevin J; Newbold, Katie L

2017-01-01

Head and neck cancer (HNC) is a challenging tumour site for radiotherapy delivery owing to its complex anatomy and proximity to organs at risk (OARs) such as the spinal cord and optic apparatus. Despite significant advances in radiotherapy planning techniques, radiation-induced morbidities remain substantial. Further improvement would require high-quality imaging and tailored radiotherapy based on intratreatment response. For these reasons, the use of MRI in radiotherapy planning for HNC is rapidly gaining popularity. MRI provides superior soft-tissue contrast in comparison with CT, allowing better definition of the tumour and OARs. The lack of additional radiation exposure is another attractive feature for intratreatment monitoring. In addition, advanced MRI techniques such as diffusion-weighted, dynamic contrast-enhanced and intrinsic susceptibility-weighted MRI techniques are capable of characterizing tumour biology further by providing quantitative functional parameters such as tissue cellularity, vascular permeability/perfusion and hypoxia. These functional parameters are known to have radiobiological relevance, which potentially could guide treatment adaptation based on their changes prior to or during radiotherapy. In this article, we first present an overview of the applications of anatomical MRI sequences in head and neck radiotherapy, followed by the potentials and limitations of functional MRI sequences in personalizing therapy. PMID:28256151

Spatial and Functional Organization of Pig Trade in Different European Production Systems: Implications for Disease Prevention and Control.

PubMed

Relun, Anne; Grosbois, Vladimir; Sánchez-Vizcaíno, José Manuel; Alexandrov, Tsviatko; Feliziani, Francesco; Waret-Szkuta, Agnès; Molia, Sophie; Etter, Eric Marcel Charles; Martínez-López, Beatriz

2016-01-01

Understanding the complexity of live pig trade organization is a key factor to predict and control major infectious diseases, such as classical swine fever (CSF) or African swine fever (ASF). Whereas the organization of pig trade has been described in several European countries with indoor commercial production systems, little information is available on this organization in other systems, such as outdoor or small-scale systems. The objective of this study was to describe and compare the spatial and functional organization of live pig trade in different European countries and different production systems. Data on premise characteristics and pig movements between premises were collected during 2011 from Bulgaria, France, Italy, and Spain, which swine industry is representative of most of the production systems in Europe (i.e., commercial vs. small-scale and outdoor vs. indoor). Trade communities were identified in each country using the Walktrap algorithm. Several descriptive and network metrics were generated at country and community levels. Pig trade organization showed heterogeneous spatial and functional organization. Trade communities mostly composed of indoor commercial premises were identified in western France, northern Italy, northern Spain, and north-western Bulgaria. They covered large distances, overlapped in space, demonstrated both scale-free and small-world properties, with a role of trade operators and multipliers as key premises. Trade communities involving outdoor commercial premises were identified in western Spain, south-western and central France. They were more spatially clustered, demonstrated scale-free properties, with multipliers as key premises. Small-scale communities involved the majority of premises in Bulgaria and in central and Southern Italy. They were spatially clustered and had scale-free properties, with key premises usually being commercial production premises. These results indicate that a disease might spread very differently according to the production system and that key premises could be targeted to more cost-effectively control diseases. This study provides useful epidemiological information and parameters that could be used to design risk-based surveillance strategies or to more accurately model the risk of introduction or spread of devastating swine diseases, such as ASF, CSF, or foot-and-mouth disease.

Spatial and Functional Organization of Pig Trade in Different European Production Systems: Implications for Disease Prevention and Control

PubMed Central

Relun, Anne; Grosbois, Vladimir; Sánchez-Vizcaíno, José Manuel; Alexandrov, Tsviatko; Feliziani, Francesco; Waret-Szkuta, Agnès; Molia, Sophie; Etter, Eric Marcel Charles; Martínez-López, Beatriz

2016-01-01

Understanding the complexity of live pig trade organization is a key factor to predict and control major infectious diseases, such as classical swine fever (CSF) or African swine fever (ASF). Whereas the organization of pig trade has been described in several European countries with indoor commercial production systems, little information is available on this organization in other systems, such as outdoor or small-scale systems. The objective of this study was to describe and compare the spatial and functional organization of live pig trade in different European countries and different production systems. Data on premise characteristics and pig movements between premises were collected during 2011 from Bulgaria, France, Italy, and Spain, which swine industry is representative of most of the production systems in Europe (i.e., commercial vs. small-scale and outdoor vs. indoor). Trade communities were identified in each country using the Walktrap algorithm. Several descriptive and network metrics were generated at country and community levels. Pig trade organization showed heterogeneous spatial and functional organization. Trade communities mostly composed of indoor commercial premises were identified in western France, northern Italy, northern Spain, and north-western Bulgaria. They covered large distances, overlapped in space, demonstrated both scale-free and small-world properties, with a role of trade operators and multipliers as key premises. Trade communities involving outdoor commercial premises were identified in western Spain, south-western and central France. They were more spatially clustered, demonstrated scale-free properties, with multipliers as key premises. Small-scale communities involved the majority of premises in Bulgaria and in central and Southern Italy. They were spatially clustered and had scale-free properties, with key premises usually being commercial production premises. These results indicate that a disease might spread very differently according to the production system and that key premises could be targeted to more cost-effectively control diseases. This study provides useful epidemiological information and parameters that could be used to design risk-based surveillance strategies or to more accurately model the risk of introduction or spread of devastating swine diseases, such as ASF, CSF, or foot-and-mouth disease. PMID:26870738

A Graph Theoretical Approach to Study the Organization of the Cortical Networks during Different Mathematical Tasks

PubMed Central

Klados, Manousos A.; Kanatsouli, Kassia; Antoniou, Ioannis; Babiloni, Fabio; Tsirka, Vassiliki; Bamidis, Panagiotis D.; Micheloyannis, Sifis

2013-01-01

The two core systems of mathematical processing (subitizing and retrieval) as well as their functionality are already known and published. In this study we have used graph theory to compare the brain network organization of these two core systems in the cortical layer during difficult calculations. We have examined separately all the EEG frequency bands in healthy young individuals and we found that the network organization at rest, as well as during mathematical tasks has the characteristics of Small World Networks for all the bands, which is the optimum organization required for efficient information processing. The different mathematical stimuli provoked changes in the graph parameters of different frequency bands, especially the low frequency bands. More specific, in Delta band the induced network increases it’s local and global efficiency during the transition from subitizing to retrieval system, while results suggest that difficult mathematics provoke networks with higher cliquish organization due to more specific demands. The network of the Theta band follows the same pattern as before, having high nodal and remote organization during difficult mathematics. Also the spatial distribution of the network’s weights revealed more prominent connections in frontoparietal regions, revealing the working memory load due to the engagement of the retrieval system. The cortical networks of the alpha brainwaves were also more efficient, both locally and globally, during difficult mathematics, while the fact that alpha’s network was more dense on the frontparietal regions as well, reveals the engagement of the retrieval system again. Concluding, this study gives more evidences regarding the interaction of the two core systems, exploiting the produced functional networks of the cerebral cortex, especially for the difficult mathematics. PMID:23990992

A Graph theoretical approach to study the organization of the cortical networks during different mathematical tasks.

PubMed

Klados, Manousos A; Kanatsouli, Kassia; Antoniou, Ioannis; Babiloni, Fabio; Tsirka, Vassiliki; Bamidis, Panagiotis D; Micheloyannis, Sifis

2013-01-01

The two core systems of mathematical processing (subitizing and retrieval) as well as their functionality are already known and published. In this study we have used graph theory to compare the brain network organization of these two core systems in the cortical layer during difficult calculations. We have examined separately all the EEG frequency bands in healthy young individuals and we found that the network organization at rest, as well as during mathematical tasks has the characteristics of Small World Networks for all the bands, which is the optimum organization required for efficient information processing. The different mathematical stimuli provoked changes in the graph parameters of different frequency bands, especially the low frequency bands. More specific, in Delta band the induced network increases it's local and global efficiency during the transition from subitizing to retrieval system, while results suggest that difficult mathematics provoke networks with higher cliquish organization due to more specific demands. The network of the Theta band follows the same pattern as before, having high nodal and remote organization during difficult mathematics. Also the spatial distribution of the network's weights revealed more prominent connections in frontoparietal regions, revealing the working memory load due to the engagement of the retrieval system. The cortical networks of the alpha brainwaves were also more efficient, both locally and globally, during difficult mathematics, while the fact that alpha's network was more dense on the frontparietal regions as well, reveals the engagement of the retrieval system again. Concluding, this study gives more evidences regarding the interaction of the two core systems, exploiting the produced functional networks of the cerebral cortex, especially for the difficult mathematics.

How perfect can protein interactomes be?

PubMed

Levy, Emmanuel D; Landry, Christian R; Michnick, Stephen W

2009-03-03

Any engineered device should certainly not contain nonfunctional components, for this would be a waste of energy and money. In contrast, evolutionary theory tells us that biological systems need not be optimized and may very well accumulate nonfunctional elements. Mutational and demographic processes contribute to the cluttering of eukaryotic genomes and transcriptional networks with "junk" DNA and spurious DNA binding sites. Here, we question whether such a notion should be applied to protein interactomes-that is, whether these protein interactomes are expected to contain a fraction of nonselected, nonfunctional protein-protein interactions (PPIs), which we term "noisy." We propose a simple relationship between the fraction of noisy interactions expected in a given organism and three parameters: (i) the number of mutations needed to create and destroy interactions, (ii) the size of the proteome, and (iii) the fitness cost of noisy interactions. All three parameters suggest that noisy PPIs are expected to exist. Their existence could help to explain why PPIs determined from large-scale studies often lack functional relationships between interacting proteins, why PPIs are poorly conserved across organisms, and why the PPI space appears to be immensely large. Finally, we propose experimental strategies to estimate the fraction of evolutionary noise in PPI networks.

Investigation of self-organized criticality behavior of edge plasma transport in Torus experiment of technology oriented research

NASA Astrophysics Data System (ADS)

Xu, Y. H.; Jachmich, S.; Weynants, R. R.; Huber, A.; Unterberg, B.; Samm, U.

2004-12-01

The self-organized criticality (SOC) behavior of the edge plasma transport has been studied using fluctuation data measured in the plasma edge and the scrape-off layer of Torus experiment of technology oriented research tokamak [H. Soltwisch et al., Plasma Phys. Controlled Fusion 26, 23 (1984)] before and during the edge biasing experiments. In the "nonshear" discharge phase before biasing, the fluctuation data clearly show some of the characteristics associated with SOC, including similar frequency spectra to those obtained in "sandpile" transport and other SOC systems, slowly decaying long tails in the autocorrelation function, values of Hurst parameters larger than 0.5 at all the detected radial locations, and a radial propagation of avalanchelike events in the edge plasma area. During the edge biasing phase, with the generation of an edge radial electric field Er and thus of Er×B flow shear, contrary to theoretical expectation, the Hurst parameters are substantially enhanced in the negative flow shear region and in the scrape-off layer as well. Concomitantly, it is found that the local turbulence is well decorrelated by the Er×B velocity shear, consistent with theoretical predictions.

Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies

DOE PAGES

Zhai, Yaxin; Baniya, Sangita; Zhang, Chuang; ...

2017-07-28

Two-dimensional (2D) layered hybrid organic-inorganic halide perovskite semiconductors form natural “multiple quantum wells” that have strong spin-orbit coupling due to the heavy elements in their building blocks. This may lead to “Rashba splitting” close to the extrema in the electron bands. We have used a plethora of ultrafast transient, nonlinear optical spectroscopies and theoretical calculations to study the primary (excitons) and long-lived (free carriers) photoexcitations in thin films of 2D perovskite, namely, (C 6H 5C 2H 4NH 3) 2PbI 4. The density functional theory calculation shows the occurrence of Rashba splitting in the plane perpendicular to the 2D barrier. Frommore » the electroabsorption spectrum and photoinduced absorption spectra from excitons and free carriers, we obtain a giant Rashba splitting in this compound, with energy splitting of (40 ± 5) meV and Rashba parameter of (1.6 ± 0.1) eV·Å, which are among the highest Rashba splitting size parameters reported so far. In conclusion, this finding shows that 2D hybrid perovskites have great promise for potential applications in spintronics.« less

Modularity and the spread of perturbations in complex dynamical systems

NASA Astrophysics Data System (ADS)

Kolchinsky, Artemy; Gates, Alexander J.; Rocha, Luis M.

2015-12-01

We propose a method to decompose dynamical systems based on the idea that modules constrain the spread of perturbations. We find partitions of system variables that maximize "perturbation modularity," defined as the autocovariance of coarse-grained perturbed trajectories. The measure effectively separates the fast intramodular from the slow intermodular dynamics of perturbation spreading (in this respect, it is a generalization of the "Markov stability" method of network community detection). Our approach captures variation of modular organization across different system states, time scales, and in response to different kinds of perturbations: aspects of modularity which are all relevant to real-world dynamical systems. It offers a principled alternative to detecting communities in networks of statistical dependencies between system variables (e.g., "relevance networks" or "functional networks"). Using coupled logistic maps, we demonstrate that the method uncovers hierarchical modular organization planted in a system's coupling matrix. Additionally, in homogeneously coupled map lattices, it identifies the presence of self-organized modularity that depends on the initial state, dynamical parameters, and type of perturbations. Our approach offers a powerful tool for exploring the modular organization of complex dynamical systems.

Modularity and the spread of perturbations in complex dynamical systems.

PubMed

Kolchinsky, Artemy; Gates, Alexander J; Rocha, Luis M

2015-12-01

We propose a method to decompose dynamical systems based on the idea that modules constrain the spread of perturbations. We find partitions of system variables that maximize "perturbation modularity," defined as the autocovariance of coarse-grained perturbed trajectories. The measure effectively separates the fast intramodular from the slow intermodular dynamics of perturbation spreading (in this respect, it is a generalization of the "Markov stability" method of network community detection). Our approach captures variation of modular organization across different system states, time scales, and in response to different kinds of perturbations: aspects of modularity which are all relevant to real-world dynamical systems. It offers a principled alternative to detecting communities in networks of statistical dependencies between system variables (e.g., "relevance networks" or "functional networks"). Using coupled logistic maps, we demonstrate that the method uncovers hierarchical modular organization planted in a system's coupling matrix. Additionally, in homogeneously coupled map lattices, it identifies the presence of self-organized modularity that depends on the initial state, dynamical parameters, and type of perturbations. Our approach offers a powerful tool for exploring the modular organization of complex dynamical systems.

Soil health indicators: A case study with smallholder coffee farmers in Uganda

NASA Astrophysics Data System (ADS)

Mentler, Axel; Pohl, Walther; Okalany, Emmanuel; Probst, Lorenz; Zechmeister-Boltenstern, Sophie; Schomakers, Jasmin

2013-04-01

The study aims to determine soil health indicators of 46 coffee smallholder farmers in the area of Mbale, Mount Elgon region (1200m ~ 1900m) in the southeast of Uganda. Forty of these farmers are working under an organic farmers association and are certified. They are compared to six conventional coffee production systems. The organic farms are agroforestry systems, whereas the conventional coffee farms have nearly no shading trees. Topsoil and subsoil samples, in a depth of 0-20 and 20-40 cm were collected from each farm and analyzed. The following parameters were determined: pH (H2O), electric conductivity (EC), organic matter (OM), dissolved organic carbon (DOC), nitrate (NO3), phosphate (PO4) , sulfate (SO4) carbonate, dissolved total nitrogen (TN), plant available phosphorus (PO4 CAL), plant available potassium (K CAL) and cation exchange capacity (CEC). These parameters were used as indicators for soil health. A set of 33 quantitative and qualitative indicators was exclusively developed for coffee farmers to best describe a functioning ecosystem through social, economic and ecological indicators. These ecosystem-indicators were assessed through a questionnaire, carried out parallel to the soil sampling and further transformed into a scoring matrix where a scoring system from 0 to 100 points was used to normalize the collected data. There is a significant difference between the soil health indicators of organic and conventional coffee producers. The soil samples of conventional farms show higher pH values than those of organic farming systems referring to high turnover rates of the organic material. DOC release is on average higher in organic production systems. A major difference in the system is the higher plant available phosphate content, as well as a higher CEC in organic systems, which is due to the high organic matter input. The soil health indicator systems allowed to differentiate and to evaluate organic farms. Outlook Through the different management system of organic farmers they are able to create an ecofriendly environment and benefit through higher biological biodiversity in the farm ecosystem. The approach of agro-ecosystem health and soil health highlights the challenges of farmers in certain regions and can support certification schemes and therefore assist as a planning tool for regional development.

Generic reactive transport codes as flexible tools to integrate soil organic matter degradation models with water, transport and geochemistry in soils

NASA Astrophysics Data System (ADS)

Jacques, Diederik; Gérard, Fréderic; Mayer, Uli; Simunek, Jirka; Leterme, Bertrand

2016-04-01

A large number of organic matter degradation, CO2 transport and dissolved organic matter models have been developed during the last decades. However, organic matter degradation models are in many cases strictly hard-coded in terms of organic pools, degradation kinetics and dependency on environmental variables. The scientific input of the model user is typically limited to the adjustment of input parameters. In addition, the coupling with geochemical soil processes including aqueous speciation, pH-dependent sorption and colloid-facilitated transport are not incorporated in many of these models, strongly limiting the scope of their application. Furthermore, the most comprehensive organic matter degradation models are combined with simplified representations of flow and transport processes in the soil system. We illustrate the capability of generic reactive transport codes to overcome these shortcomings. The formulations of reactive transport codes include a physics-based continuum representation of flow and transport processes, while biogeochemical reactions can be described as equilibrium processes constrained by thermodynamic principles and/or kinetic reaction networks. The flexibility of these type of codes allows for straight-forward extension of reaction networks, permits the inclusion of new model components (e.g.: organic matter pools, rate equations, parameter dependency on environmental conditions) and in such a way facilitates an application-tailored implementation of organic matter degradation models and related processes. A numerical benchmark involving two reactive transport codes (HPx and MIN3P) demonstrates how the process-based simulation of transient variably saturated water flow (Richards equation), solute transport (advection-dispersion equation), heat transfer and diffusion in the gas phase can be combined with a flexible implementation of a soil organic matter degradation model. The benchmark includes the production of leachable organic matter and inorganic carbon in the aqueous and gaseous phases, as well as different decomposition functions with first-order, linear dependence or nonlinear dependence on a biomass pool. In addition, we show how processes such as local bioturbation (bio-diffusion) can be included implicitly through a Fickian formulation of transport of soil organic matter. Coupling soil organic matter models with generic and flexible reactive transport codes offers a valuable tool to enhance insights into coupled physico-chemical processes at different scales within the scope of C-biogeochemical cycles, possibly linked with other chemical elements such as plant nutrients and pollutants.

Assessment of functional conditions of basketball and football players during the load by applying the model of integrated evaluation.

PubMed

Zumbakytė-Šermukšnienė, Renata; Kajėnienė, Alma; Vainoras, Alfonsas; Berškienė, Kristina; Augutienė, Viktorija

2010-01-01

We consider the human body as an adaptable, complex, and dynamic system capable of organizing itself, though there is none, the only one, factor inside the system capable of doing this job. Making use of the computerized ECG analysis system "Kaunas-load" with parallel registration of ECG carrying out body motor characteristics, ABP, or other processes characterizing hemodynamics enable one to reveal and evaluate the synergistic aspects of essential systems of the human body what particularly extends the possibilities of functional diagnostics. The aim of the study was to determine the features of alterations in the functional condition of basketball and football players and nonathletes during the bicycle ergometry test by applying the model of evaluation of the functional condition of the human body. The study population consisted of 266 healthy athletes and nonathletes. Groups of male basketball players, male football players, male nonathletes, female basketball players, and female nonathletes were studied. A computerized ECG analysis system "Kaunas-load" that is capable of both registering and analyzing the power developed by the subject and 12-lead ECG synchronically were used for evaluating the functional condition of the CVS. The subject did a computer-based bicycle ergometry test. The following ECG parameters at rest and throughout the load - HR, JT interval, and the deduced JT/RR ratio index that reflects the condition between regulatory and supplying systems - were evaluated. After measuring ABP, the pulse amplitude (S-D) was evaluated. The pulse blood pressure ratio amplitude (S-D)/S that depicts the connection between the periphery and regulatory systems was also evaluated. Speeds of changes in physiological parameters during physical load were evaluated too. Heart rate and JT/RR ratio of athletes at the rest and during load were lower, and JT interval of rest was longer and became shorter more slowly during load, compared to that of healthy nonathletes. The pulse arterial blood pressure amplitude of men at rest and during load was higher than that of women. The pulse ABP amplitude of athletes was higher than that of nonathletes. The relative pulse ABP amplitude in the state of rest in the groups of men was higher than in groups of women. The relative pulse amplitude of female basketball players at rest and during load was higher than that of female nonathletes. Significant differences in the dynamics of speed of changes in HR, the pulse ABP amplitude, and the relative pulse ABP amplitude of male and female basketball players, male football players, as well as male and female nonathletes were observed. The newly deduced parameters, namely, speeds of changes in the parameters with changes in the phase of the load reflect very well peculiarities of functional condition of the human body during bicycle ergometry test. The sum total of those newly deduced parameters and customary parameters reveals new functional peculiarities of the human body.

Collagen content does not alter the passive mechanical properties of fibrotic skeletal muscle in mdx mice

PubMed Central

Smith, Lucas R.

2014-01-01

Many skeletal muscle diseases are associated with progressive fibrosis leading to impaired muscle function. Collagen within the extracellular matrix is the primary structural protein providing a mechanical scaffold for cells within tissues. During fibrosis collagen not only increases in amount but also undergoes posttranslational changes that alter its organization that is thought to contribute to tissue stiffness. Little, however, is known about collagen organization in fibrotic muscle and its consequences for function. To investigate the relationship between collagen content and organization with muscle mechanical properties, we studied mdx mice, a model for Duchenne muscular dystrophy (DMD) that undergoes skeletal muscle fibrosis, and age-matched control mice. We determined collagen content both histologically, with picosirius red staining, and biochemically, with hydroxyproline quantification. Collagen content increased in the mdx soleus and diaphragm muscles, which was exacerbated by age in the diaphragm. Collagen packing density, a parameter of collagen organization, was determined using circularly polarized light microscopy of picosirius red-stained sections. Extensor digitorum longus (EDL) and soleus muscle had proportionally less dense collagen in mdx muscle, while the diaphragm did not change packing density. The mdx muscles had compromised strength as expected, yet only the EDL had a significantly increased elastic stiffness. The EDL and diaphragm had increased dynamic stiffness and a change in relative viscosity. Unexpectedly, passive stiffness did not correlate with collagen content and only weakly correlated with collagen organization. We conclude that muscle fibrosis does not lead to increased passive stiffness and that collagen content is not predictive of muscle stiffness. PMID:24598364

Resource utilisation by deep-sea megabenthos in the Canadian High Arctic (Baffin Bay and Parry Channel)

NASA Astrophysics Data System (ADS)

Bourgeois, Solveig; Witte, Ursula; Harrison, Ailish M.; Makela, Anni; Kazanidis, Georgios; Archambault, Philippe

2016-04-01

Ongoing climate change in the Arctic is causing drastic alteration of the Arctic marine ecosystem functioning, such as shifts in patterns of primary production, and modifying the present tight pelagic-benthic coupling. Subsequently benthic communities, which rely upon organic matter produced in the top layers of the Ocean, will also be affected by these changes. The benthic megafaunal communities play a significant role in ecological processes and ecosystem functioning (i.e. organic matter recycling, bioturbation, food source for the higher trophic levels…). Yet, information is scarce regarding the main food sources for dominant benthic organisms, and therefore the impact of the ongoing changes is difficult to assess. The goal of this study is to investigate the preferential feeding of different carbon sources by megabenthic organisms in the Canadian High Arctic and to identify environmental drivers which explain the observed trends. In summer 2013, benthic megafauna was collected at 9 stations spread along latitudinal (58 to 81°N) and longitudinal (62 to 114°W) transects in the Baffin Bay and Parry Channel, respectively. Carbon and nitrogen bulk stable isotope analyses (δ13C and δ15N) were performed on several species divided into groups according to their feeding type. This study highlights distinct trends in δ13C values of benthic organisms suggesting the importance of both phytoplankton and ice algae as carbon sources for megafauna in the Canadian High Arctic. The importance of physical and biological parameters as drivers of food web structure will be furthermore discussed.

WAT-on-a-chip: A physiologically relevant microfluidic system incorporating white adipose tissue

PubMed Central

Loskill, Peter; Sezhian, Thiagarajan; Tharp, Kevin; Lee-Montiel, Felipe T.; Jeeawoody, Shaheen; Reese, Willie Mae; Zushin, Pete-James H.; Stahl, Andreas; Healy, Kevin E.

2017-01-01

Organ-on-a-chip systems possess a promising future as drug screening assays and as testbeds for disease modeling in the context of both single-organ systems and multi-organ-chips. Although it comprises approximately one fourth of the body weight of a healthy human, an organ frequently overlooked in this context is white adipose tissue (WAT). WAT-on-a-chip systems are required to create safety profiles of a large number of drugs due to their interactions with adipose tissue and other organs via paracrine signals, fatty acid release, and drug levels through sequestration. We report a WAT-on-a-chip system with a footprint of less than 1 mm2 consisting of a separate media channel and WAT chamber connected via small micropores. Analogous to the in vivo blood circulation, convective transport is thereby confined to the vasculature-like structures and the tissues protected from shear stresses. Numerical and analytical modeling revealed that the flow rates in the WAT chambers are less than 1/100 of the input flow rate. Using optimized injection parameters, we were able to inject pre-adipocytes, which subsequently formed adipose tissue featuring fully functional lipid metabolism. The physiologically relevant microfluidic environment of the WAT-chip supported long term culture of the functional adipose tissue for more than two weeks. Due to its physiological, highly controlled, and computationally predictable character, the system has the potential to be a powerful tool for the study of adipose tissue associated diseases such as obesity and type 2 diabetes. PMID:28418430

Metabolic allometric scaling model: combining cellular transportation and heat dissipation constraints.

PubMed

Shestopaloff, Yuri K

2016-08-15

Living organisms need energy to be 'alive'. Energy is produced by the biochemical processing of nutrients, and the rate of energy production is called the metabolic rate. Metabolism is very important from evolutionary and ecological perspectives, and for organismal development and functioning. It depends on different parameters, of which organism mass is considered to be one of the most important. Simple relationships between the mass of organisms and their metabolic rates were empirically discovered by M. Kleiber in 1932. Such dependence is described by a power function, whose exponent is referred to as the allometric scaling coefficient. With the increase of mass, the metabolic rate usually increases more slowly; if mass increases by two times, the metabolic rate increases less than two times. This fact has far-reaching implications for the organization of life. The fundamental biological and biophysical mechanisms underlying this phenomenon are still not well understood. The present study shows that one such primary mechanism relates to transportation of substances, such as nutrients and waste, at a cellular level. Variations in cell size and associated cellular transportation costs explain the known variance of the allometric exponent. The introduced model also includes heat dissipation constraints. The model agrees with experimental observations and reconciles experimental results across different taxa. It ties metabolic scaling to organismal and environmental characteristics, helps to define perspective directions of future research and allows the prediction of allometric exponents based on characteristics of organisms and the environments they live in. © 2016. Published by The Company of Biologists Ltd.

[A new information technology for system diagnosis of functional activity of human organs].

PubMed

Avshalumov, A Sh; Sudakov, K V; Filaretov, G F

2006-01-01

The goal of this work was to consider a new diagnostic technology based on analysis of objective information parameters of functional activity and interaction of normal and pathologically changed human organs. The technology is based on the use of very low power millimeter (EHF) radiation emitted by human body and other biological objects in the process of vital activity. The importance of consideration of the information aspect of vital activity from the standpoint of the theory of functional systems suggested by P. K. Anokhin is emphasized. The suggested information technology is theoretically substantiated. The capabilities of the suggested technology for diagnosis, as well as the difficulties of its practical implementation caused by very low power of electromagnetic fields generated by human body, are discussed. It is noted that only use of modern radiophysical equipment together with new software based on specially developed algorithms made it possible to construct a medical EHF diagnostic system for effective implementation of the suggested technology. The system structure, functions of its components, the examination procedure, and the form of representation of diagnostic information are described together with the specific features of applied software based on the principle of maximal objectivity of analysis and interpretation of the results of diagnosis on the basis of artificial intelligence algorithms. The diagnostic capabilities of the system are illustrated by several examples.

Emergent Global Patterns of Ecosystem Structure and Function from a Mechanistic General Ecosystem Model

PubMed Central

Emmott, Stephen; Hutton, Jon; Lyutsarev, Vassily; Smith, Matthew J.; Scharlemann, Jörn P. W.; Purves, Drew W.

2014-01-01

Anthropogenic activities are causing widespread degradation of ecosystems worldwide, threatening the ecosystem services upon which all human life depends. Improved understanding of this degradation is urgently needed to improve avoidance and mitigation measures. One tool to assist these efforts is predictive models of ecosystem structure and function that are mechanistic: based on fundamental ecological principles. Here we present the first mechanistic General Ecosystem Model (GEM) of ecosystem structure and function that is both global and applies in all terrestrial and marine environments. Functional forms and parameter values were derived from the theoretical and empirical literature where possible. Simulations of the fate of all organisms with body masses between 10 µg and 150,000 kg (a range of 14 orders of magnitude) across the globe led to emergent properties at individual (e.g., growth rate), community (e.g., biomass turnover rates), ecosystem (e.g., trophic pyramids), and macroecological scales (e.g., global patterns of trophic structure) that are in general agreement with current data and theory. These properties emerged from our encoding of the biology of, and interactions among, individual organisms without any direct constraints on the properties themselves. Our results indicate that ecologists have gathered sufficient information to begin to build realistic, global, and mechanistic models of ecosystems, capable of predicting a diverse range of ecosystem properties and their response to human pressures. PMID:24756001

Emergent global patterns of ecosystem structure and function from a mechanistic general ecosystem model.

PubMed

Harfoot, Michael B J; Newbold, Tim; Tittensor, Derek P; Emmott, Stephen; Hutton, Jon; Lyutsarev, Vassily; Smith, Matthew J; Scharlemann, Jörn P W; Purves, Drew W

2014-04-01

Anthropogenic activities are causing widespread degradation of ecosystems worldwide, threatening the ecosystem services upon which all human life depends. Improved understanding of this degradation is urgently needed to improve avoidance and mitigation measures. One tool to assist these efforts is predictive models of ecosystem structure and function that are mechanistic: based on fundamental ecological principles. Here we present the first mechanistic General Ecosystem Model (GEM) of ecosystem structure and function that is both global and applies in all terrestrial and marine environments. Functional forms and parameter values were derived from the theoretical and empirical literature where possible. Simulations of the fate of all organisms with body masses between 10 µg and 150,000 kg (a range of 14 orders of magnitude) across the globe led to emergent properties at individual (e.g., growth rate), community (e.g., biomass turnover rates), ecosystem (e.g., trophic pyramids), and macroecological scales (e.g., global patterns of trophic structure) that are in general agreement with current data and theory. These properties emerged from our encoding of the biology of, and interactions among, individual organisms without any direct constraints on the properties themselves. Our results indicate that ecologists have gathered sufficient information to begin to build realistic, global, and mechanistic models of ecosystems, capable of predicting a diverse range of ecosystem properties and their response to human pressures.

A computational model of selection by consequences.

PubMed Central

McDowell, J J

2004-01-01

Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of computational experiments that arranged reinforcement according to random-interval (RI) schedules. The quantitative features of the model were varied over wide ranges in these experiments, and many of the qualitative features of the model also were varied. The digital organism consistently showed a hyperbolic relation between response and reinforcement rates, and this hyperbolic description of the data was consistently better than the description provided by other, similar, function forms. In addition, the parameters of the hyperbola varied systematically with the quantitative, and some of the qualitative, properties of the model in ways that were consistent with findings from biological organisms. These results suggest that the material events responsible for an organism's responding on RI schedules are computationally equivalent to Darwinian selection by consequences. They also suggest that the computational model developed here is worth pursuing further as a possible dynamic account of behavior. PMID:15357512

Effect of Organic and Conventional Management on Bio-Functional Quality of Thirteen Plum Cultivars (Prunus salicina Lindl.).

PubMed

Cuevas, Francisco Julián; Pradas, Inmaculada; Ruiz-Moreno, María José; Arroyo, Francisco Teodoro; Perez-Romero, Luis Felipe; Montenegro, José Carlos; Moreno-Rojas, José Manuel

2015-01-01

In this study, thirteen Japanese plum cultivars (Prunus salicina Lindl.) grown under conventional and organic conditions were compared to evaluate the influence of the culture system on bioactive compounds. Their organic acids content (malic, citric, tartaric, succinic, shikimic, ascorbic and fumaric acid), total polyphenols, total anthocyanins, total carotenoids and antioxidant capacity (FRAP, ABTS) were evaluated. The study was performed during two consecutive seasons (2012 and 2013) in two experimental orchards located at the IFAPA centre Las Torres-Tomejil (Seville, SW Spain). The culture system affected all the studied parameters except for total carotenoid content. The organic plums had significantly higher polyphenol and anthocyanin concentrations and a greater antioxidant capacity. Additionally, significant differences between cultivars were also found. 'Showtime' and 'Friar' were the cultivars with the highest polyphenol concentration and antioxidant capacity. 'Black Amber' had the highest anthocyanin content and 'Larry Ann' and 'Songold' the highest carotenoid content. 'Sapphire' and 'Black amber' were the cultivars with the highest concentration of ascorbic acid. Our results showed a strong year effect. In conclusion, organic management had an impact on the production of phytochemical compounds in plums.

Effect of Organic and Conventional Management on Bio-Functional Quality of Thirteen Plum Cultivars (Prunus salicina Lindl.)

PubMed Central

Cuevas, Francisco Julián; Pradas, Inmaculada; Ruiz‐Moreno, María José; Arroyo, Francisco Teodoro; Perez-Romero, Luis Felipe; Montenegro, José Carlos; Moreno‐Rojas, José Manuel

2015-01-01

In this study, thirteen Japanese plum cultivars (Prunus salicina Lindl.) grown under conventional and organic conditions were compared to evaluate the influence of the culture system on bioactive compounds. Their organic acids content (malic, citric, tartaric, succinic, shikimic, ascorbic and fumaric acid), total polyphenols, total anthocyanins, total carotenoids and antioxidant capacity (FRAP, ABTS) were evaluated. The study was performed during two consecutive seasons (2012 and 2013) in two experimental orchards located at the IFAPA centre Las Torres-Tomejil (Seville, SW Spain). The culture system affected all the studied parameters except for total carotenoid content. The organic plums had significantly higher polyphenol and anthocyanin concentrations and a greater antioxidant capacity. Additionally, significant differences between cultivars were also found. ‘Showtime’ and ‘Friar’ were the cultivars with the highest polyphenol concentration and antioxidant capacity. ‘Black Amber’ had the highest anthocyanin content and ‘Larry Ann’ and ‘Songold’ the highest carotenoid content. ‘Sapphire’ and ‘Black amber’ were the cultivars with the highest concentration of ascorbic acid. Our results showed a strong year effect. In conclusion, organic management had an impact on the production of phytochemical compounds in plums. PMID:26313546

Quantifying Infra-slow Dynamics of Spectral Power and Heart Rate in Sleeping Mice.

PubMed

Fernandez, Laura M J; Lecci, Sandro; Cardis, Romain; Vantomme, Gil; Béard, Elidie; Lüthi, Anita

2017-08-02

Three vigilance states dominate mammalian life: wakefulness, non-rapid eye movement (non-REM) sleep, and REM sleep. As more neural correlates of behavior are identified in freely moving animals, this three-fold subdivision becomes too simplistic. During wakefulness, ensembles of global and local cortical activities, together with peripheral parameters such as pupillary diameter and sympathovagal balance, define various degrees of arousal. It remains unclear the extent to which sleep also forms a continuum of brain states-within which the degree of resilience to sensory stimuli and arousability, and perhaps other sleep functions, vary gradually-and how peripheral physiological states co-vary. Research advancing the methods to monitor multiple parameters during sleep, as well as attributing to constellations of these functional attributes, is central to refining our understanding of sleep as a multifunctional process during which many beneficial effects must be executed. Identifying novel parameters characterizing sleep states will open opportunities for novel diagnostic avenues in sleep disorders. We present a procedure to describe dynamic variations of mouse non-REM sleep states via the combined monitoring and analysis of electroencephalogram (EEG)/electrocorticogram (ECoG), electromyogram (EMG), and electrocardiogram (ECG) signals using standard polysomnographic recording techniques. Using this approach, we found that mouse non-REM sleep is organized into cycles of coordinated neural and cardiac oscillations that generate successive 25-s intervals of high and low fragility to external stimuli. Therefore, central and autonomic nervous systems are coordinated to form behaviorally distinct sleep states during consolidated non-REM sleep. We present surgical manipulations for polysomnographic (i.e., EEG/EMG combined with ECG) monitoring to track these cycles in the freely sleeping mouse, the analysis to quantify their dynamics, and the acoustic stimulation protocols to assess their role in the likelihood of waking up. Our approach has already been extended to human sleep and promises to unravel common organizing principles of non-REM sleep states in mammals.

Physical and rehabilitation medicine (PRM) care pathways: adults with severe traumatic brain injury.

PubMed

Pradat-Diehl, P; Joseph, P-A; Beuret-Blanquart, F; Luauté, J; Tasseau, F; Remy-Neris, O; Azouvi, P; Sengler, J; Bayen, É; Yelnik, A; Mazaux, J-M

2012-11-01

This document is part of a series of guidelines documents designed by the French Physical and Rehabilitation Medicine Society (SOFMER) and the French Federation of PRM (FEDMER). These reference documents focus on a particular pathology (here patients with severe TBI). They describe for each given pathology patients' clinical and social needs, PRM care objectives and necessary human and material resources of the pathology-dedicated pathway. 'Care pathways in PRM' is therefore a short document designed to enable readers (physician, decision-maker, administrator, lawyer, finance manager) to have a global understanding of available therapeutic care structures, organization and economic needs for patients' optimal care and follow-up. After a severe traumatic brain injury, patients might be divided into three categories according to impairment's severity, to early outcomes in the intensive care unit and to functional prognosis. Each category is considered in line with six identical parameters used in the International Classification of Functioning, Disability and Health (World Health Organization), focusing thereafter on personal and environmental factors liable to affect the patients' needs. Copyright © 2012. Published by Elsevier Masson SAS.

Extruded Bread Classification on the Basis of Acoustic Emission Signal With Application of Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Świetlicka, Izabela; Muszyński, Siemowit; Marzec, Agata

2015-04-01

The presented work covers the problem of developing a method of extruded bread classification with the application of artificial neural networks. Extruded flat graham, corn, and rye breads differening in water activity were used. The breads were subjected to the compression test with simultaneous registration of acoustic signal. The amplitude-time records were analyzed both in time and frequency domains. Acoustic emission signal parameters: single energy, counts, amplitude, and duration acoustic emission were determined for the breads in four water activities: initial (0.362 for rye, 0.377 for corn, and 0.371 for graham bread), 0.432, 0.529, and 0.648. For classification and the clustering process, radial basis function, and self-organizing maps (Kohonen network) were used. Artificial neural networks were examined with respect to their ability to classify or to cluster samples according to the bread type, water activity value, and both of them. The best examination results were achieved by the radial basis function network in classification according to water activity (88%), while the self-organizing maps network yielded 81% during bread type clustering.

Cell patterning by laser-assisted bioprinting.

PubMed

Devillard, Raphaël; Pagès, Emeline; Correa, Manuela Medina; Kériquel, Virginie; Rémy, Murielle; Kalisky, Jérôme; Ali, Muhammad; Guillotin, Bertrand; Guillemot, Fabien

2014-01-01

The aim of tissue engineering is to produce functional three-dimensional (3D) tissue substitutes. Regarding native organ and tissue complexity, cell density and cell spatial 3D organization, which influence cell behavior and fate, are key parameters in tissue engineering. Laser-Assisted Bioprinting (LAB) allows one to print cells and liquid materials with a cell- or picoliter-level resolution. Thus, LAB seems to be an emerging and promising technology to fabricate tissue-like structures that have the physiological functionality of their native counterparts. This technology has additional advantages such as automation, reproducibility, and high throughput. It makes LAB compatible with the (industrial) fabrication of 3D constructs of physiologically relevant sizes. Here we present exhaustively the numerous steps that allow printing of viable cells with a well-preserved micrometer pattern. To facilitate the understanding of the whole cell patterning experiment using LAB, it is discussed in two parts: (1) preprocessing: laser set-up, bio-ink cartridge and bio-paper preparation, and pattern design; and (2) processing: bio-ink printing on the bio-paper. Copyright © 2014 Elsevier Inc. All rights reserved.

Spectral parameters and Hamaker constants of silicon hydride compounds and organic solvents.

PubMed

Masuda, Takashi; Matsuki, Yasuo; Shimoda, Tatsuya

2009-12-15

Cyclopentasilane (CPS) and polydihydrosilane, which consist of hydrogen and silicon only, are unique materials that can be used to produce intrinsic silicon film in a liquid process, such as spin coating or an ink-jet method. Wettability and solubility of general organic solvents including the above can be estimated by Hamaker constants, which are calculated according to the Lifshitz theory. In order to calculate a Hamaker constant by the simple spectral method (SSM), it is necessary to obtain absorption frequency and function of oscillator strength in the ultraviolet region. In this report, these physical quantities were obtained by means of an optical method. As a result of examination of the relation between molecular structures and ultraviolet absorption frequencies, which were obtained from various liquid materials, it was concluded that ultraviolet absorption frequencies became smaller as electrons were delocalized. In particular, the absorption frequencies were found to be very small for CPS and polydihydrosilane due to sigma-conjugate of their electrons. The Hamaker constants of CPS and polydihydrosilane were successfully calculated based on the obtained absorption frequency and function of oscillator strength.

Swarm formation control utilizing elliptical surfaces and limiting functions.

PubMed

Barnes, Laura E; Fields, Mary Anne; Valavanis, Kimon P

2009-12-01

In this paper, we present a strategy for organizing swarms of unmanned vehicles into a formation by utilizing artificial potential fields that were generated from normal and sigmoid functions. These functions construct the surface on which swarm members travel, controlling the overall swarm geometry and the individual member spacing. Nonlinear limiting functions are defined to provide tighter swarm control by modifying and adjusting a set of control variables that force the swarm to behave according to set constraints, formation, and member spacing. The artificial potential functions and limiting functions are combined to control swarm formation, orientation, and swarm movement as a whole. Parameters are chosen based on desired formation and user-defined constraints. This approach is computationally efficient and scales well to different swarm sizes, to heterogeneous systems, and to both centralized and decentralized swarm models. Simulation results are presented for a swarm of 10 and 40 robots that follow circle, ellipse, and wedge formations. Experimental results are included to demonstrate the applicability of the approach on a swarm of four custom-built unmanned ground vehicles (UGVs).

Effects of ventriculoarterial coupling changes on renal function, echocardiographic indices and energy efficiency in patients with acute decompensated systolic heart failure under furosemide and dopamine treatment: a comparison of three therapeutic protocols.

PubMed

Antoniou, Christos-Konstantinos; Chrysohoou, Christina; Lerakis, Stamatios; Manolakou, Panagiota; Pitsavos, Christos; Tsioufis, Konstantinos; Stefanadis, Christodoulos; Tousoulis, Dimitrios

2015-11-15

Ventriculoarterial coupling (VAC) status relates to tissue perfusion and its optimization may improve organ function and energy efficiency (EE) of the cardiovascular system. The effects of non-invasively calculated VAC improvement on echocardiographic parameters, renal function indices and EE improvement in patients with acute decompensated systolic heart failure were studied. Furthermore, effects of different treatment modalities on VAC, renal function and echocardiographic parameters were compared. Systolic heart failure patients with ejection fraction <50% were studied, who, at the treating physician's discretion, received 8-hour infusions of: high dose furosemide (20mg/h), low dose furosemide (5mg/h) or dopamine (5μg/kg/min) combined with furosemide (5mg/h). Echocardiographic assessments were performed at 0 and 24h. Renal function was evaluated using serum creatinine and creatinine clearance. VAC and EE were assessed noninvasively, by echocardiography. Significant correlations were noted between VAC improvement and improvements in EE and serum creatinine (rho=0.96, p<0.001, rho=0.32, p=0.04 respectively). Dopamine-furosemide combination had a borderline effect on creatinine (p=0.08) and led to significant improvements in e', E/e' ratio (p=0.015 and p=0.009 respectively) and VAC (value closer to 1). VAC improvement correlated with EE and creatinine improvement, regardless of treatment, supporting a potential role for VAC status assessment and improvement in acute decompensated systolic heart failure. Dopamine and furosemide combination seemed to improve VAC and diastolic function but only had a borderline effect on renal function. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

The development of computer-aided system for tissue scaffolds (CASTS) system for functionally graded tissue-engineering scaffolds.

PubMed

Sudarmadji, Novella; Chua, Chee Kai; Leong, Kah Fai

2012-01-01

Computer-aided system for tissue scaffolds (CASTS) is an in-house parametric library of polyhedral units that can be assembled into customized tissue scaffolds. Thirteen polyhedral configurations are available to select, depending on the biological and mechanical requirements of the target tissue/organ. Input parameters include the individual polyhedral units and overall scaffold block as well as the scaffold strut diameter. Taking advantage of its repeatability and reproducibility, the scaffold file is then converted into .STL file and fabricated using selective laser sintering, a rapid prototyping system. CASTS seeks to fulfill anatomical, biological, and mechanical requirements of the target tissue/organ. Customized anatomical scaffold shape is achieved through a Boolean operation between the scaffold block and the tissue defect image. Biological requirements, such as scaffold pore size and porosity, are unique for different type of cells. Matching mechanical properties, such as stiffness and strength, between the scaffold and target organ is very important, particularly in the regeneration of load-bearing organ, i.e., bone. This includes mimicking the compressive stiffness variation across the bone to prevent stress shielding and ensuring that the scaffold can withstand the load normally borne by the bone. The stiffness variation is tailored by adjusting the scaffold porosity based on the porosity-stiffness relationship of the CASTS scaffolds. Two types of functional gradients based on the gradient direction include radial and axial/linear gradient. Radial gradient is useful in the case of regenerating a section of long bones while the gradient in linear direction can be used in short or irregular bones. Stiffness gradient in the radial direction is achieved by using cylindrical unit cells arranged in a concentric manner, in which the porosity decreases from the center of the structure toward the outside radius, making the scaffold stiffer at the outer radius and more porous at the center of the scaffold. On the other hand, the linear gradient is accomplished by varying the strut diameter along the gradient direction. The parameters to vary in both gradient types are the strut diameter, the unit cell dimension, and the boundaries between two scaffold regions with different stiffness.

Predicting the glass transition temperature and viscosity of secondary organic material using molecular composition

NASA Astrophysics Data System (ADS)

Wong DeRieux, Wing-Sy; Li, Ying; Lin, Peng; Laskin, Julia; Laskin, Alexander; Bertram, Allan K.; Nizkorodov, Sergey A.; Shiraiwa, Manabu

2018-05-01

Secondary organic aerosol (SOA) accounts for a large fraction of submicron particles in the atmosphere. SOA can occur in amorphous solid or semi-solid phase states depending on chemical composition, relative humidity (RH), and temperature. The phase transition between amorphous solid and semi-solid states occurs at the glass transition temperature (Tg). We have recently developed a method to estimate Tg of pure compounds containing carbon, hydrogen, and oxygen atoms (CHO compounds) with molar mass less than 450 g mol-1 based on their molar mass and atomic O : C ratio. In this study, we refine and extend this method for CH and CHO compounds with molar mass up to ˜ 1100 g mol-1 using the number of carbon, hydrogen, and oxygen atoms. We predict viscosity from the Tg-scaled Arrhenius plot of fragility (viscosity vs. Tg/T) as a function of the fragility parameter D. We compiled D values of organic compounds from the literature and found that D approaches a lower limit of ˜ 10 (±1.7) as the molar mass increases. We estimated the viscosity of α-pinene and isoprene SOA as a function of RH by accounting for the hygroscopic growth of SOA and applying the Gordon-Taylor mixing rule, reproducing previously published experimental measurements very well. Sensitivity studies were conducted to evaluate impacts of Tg, D, the hygroscopicity parameter (κ), and the Gordon-Taylor constant on viscosity predictions. The viscosity of toluene SOA was predicted using the elemental composition obtained by high-resolution mass spectrometry (HRMS), resulting in a good agreement with the measured viscosity. We also estimated the viscosity of biomass burning particles using the chemical composition measured by HRMS with two different ionization techniques: electrospray ionization (ESI) and atmospheric pressure photoionization (APPI). Due to differences in detected organic compounds and signal intensity, predicted viscosities at low RH based on ESI and APPI measurements differ by 2-5 orders of magnitude. Complementary measurements of viscosity and chemical composition are desired to further constrain RH-dependent viscosity in future studies.

Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals.

PubMed

López-Carballeira, Diego; Ruipérez, Fernando

2016-04-01

The evaluation of four high-level composite methods based on the modification of Gaussian-3 (G3) theory for radicals and 18 exchange-correlation density functionals, including modern long-range and dispersion-corrected functionals, in the modelization of singlet diradicals has been performed in this work. Structural parameters and properties such as singlet-triplet gaps, electron affinities, ionization potentials, dipole moments, enthalpies of formation, and bond dissociation energies have been calculated in a set of six well-characterized singlet diradicals, and benchmarked against experimental data and wavefunction-based CASSCF/CASPT2 calculations. The complexity of the open-shell singlet ground state is revealed in the difficulties to properly represent the diradical character reported by some DFT functionals, specially those that do not comprise a certain amount of Hartree-Fock exchange in their formulation. We find that STGs, EAs, dipole moments, and thermochemical properties are, in general, satisfactorily calculated, while for IPs larger deviations with respect to the experiments are found in all cases. The best overall performance is accounted for by hybrid functionals, including some of the long-range corrected functionals, but also pure functionals, comprising the kinetic energy density in their formulation, are found to be competent. Composite methods perform satisfactorily, especially G3(MP2)-RAD and G3X(MP2)-RAD, which calculate singlet-triplet gaps and electron affinities more accurately. On the other hand, G3-RAD and G3X-RAD provide better ionization potentials. This study emphasizes that the use of recently developed functionals, within the broken symmetry approximation, is an appropriate tool for the simulation of organic singlet diradicals, with similar accuracy compared to more expensive composite methods. Nevertheless, suitable selection of the methodology is still crucial for the accomplishment of accurate results.

Revisiting the elemental composition and the calorific value of the organic fraction of municipal solid wastes.

PubMed

Komilis, Dimitrios; Evangelou, Alexandros; Giannakis, Georgios; Lymperis, Constantinos

2012-03-01

In this work, the elemental content (C, N, H, S, O), the organic matter content and the calorific value of various organic components that are commonly found in the municipal solid waste stream were measured. The objective of this work was to develop an empirical equation to describe the calorific value of the organic fraction of municipal solid waste as a function of its elemental composition. The MSW components were grouped into paper wastes, food wastes, yard wastes and plastics. Sample sizes ranged from 0.2 to 0.5 kg. In addition to the above individual components, commingled municipal solid wastes were sampled from a bio-drying facility located in Crete (sample sizes ranged from 8 to 15 kg) and were analyzed for the same parameters. Based on the results of this work, an improved empirical model was developed that revealed that carbon, hydrogen and oxygen were the only statistically significant predictors of calorific value. Total organic carbon was statistically similar to total carbon for most materials in this work. The carbon to organic matter ratio of 26 municipal solid waste substrates and of 18 organic composts varied from 0.40 to 0.99. An approximate chemical empirical formula calculated for the organic fraction of commingled municipal solid wastes was C(32)NH(55)O(16). Copyright © 2011 Elsevier Ltd. All rights reserved.

Finite Element Analysis and Understanding the Biomechanics and Evolution of Living and Fossil Organisms

NASA Astrophysics Data System (ADS)

Rayfield, Emily J.

2007-05-01

Finite element analysis (FEA) is a technique that reconstructs stress, strain, and deformation in a digital structure. Although commonplace in engineering and orthopedic science for more than 30 years, only recently has it begun to be adopted in the zoological and paleontological sciences to address questions of organismal morphology, function, and evolution. Current research tends to focus on either deductive studies that assume a close relationship between form and function or inductive studies that aim to test this relationship, although explicit hypothesis-testing bridges these two standpoints. Validation studies have shown congruence between in vivo or in vitro strain and FE-inferred strain. Future validation work on a broad range of taxa will assist in phylogenetically bracketing our extinct animal FE-models to increase confidence in our input parameters, although currently, FEA has much potential in addressing questions of form-function relationships, providing appropriate questions are asked of the existing data.

Negative differential resistance observation in complex convoluted fullerene junctions

NASA Astrophysics Data System (ADS)

Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

2018-04-01

In this work, we simulated the smallest fullerene molecule, C20 in a two-probe device model with gold electrodes. The gold electrodes comprised of (011) miller planes were carved to construct the novel geometry based four unique shapes, which were strung to fullerene molecules through mechanically controlled break junction techniques. The organized devices were later scrutinized using non-equilibrium Green's function based on the density functional theory to calculate their molecular orbitals, energy levels, charge transfers, and electrical parameters. After intense scrutiny, we concluded that five-edged and six-edged devices have the lowest and highest current-conductance values, which result from their electrode-dominating and electrode-subsidiary effects, respectively. However, an interesting observation was that the three-edged and four-edged electrodes functioned as semi-metallic in nature, allowing the C20 molecule to demonstrate its performance with the complementary effect of these electrodes in the electron conduction process of a two-probe device.

Application of double-hybrid density functionals to charge transfer in N-substituted pentacenequinones.

PubMed

Sancho-García, J C

2012-05-07

A set of N-heteroquinones, deriving from oligoacenes, have been recently proposed as n-type organic semiconductors with high electron mobilities in thin-film transistors. Generally speaking, this class of compounds self-assembles in neighboring π-stacks linked by weak hydrogen bonds. We aim at theoretically characterizing here the sequential charge transport (hopping) process expected to take place across these arrays of molecules. To do so, we need to accurately address the preferred packing of these materials simultaneously to single-molecule properties related to charge-transfer events, carefully employing dispersion-corrected density functional theory methods to accurately extract the key molecular parameters governing this phenomenon at the nanoscale. This study confirms the great deal of interest around these compounds, since controlled functionalization of model molecules (i.e., pentacene) allows to efficiently tune the corresponding charge mobilities, and the capacity of modern quantum-chemical methods to predict it after rationalizing the underlying structure-property relationships.

Long-Term Effects of Attentional Performance on Functional Brain Network Topology

PubMed Central

Breckel, Thomas P. K.; Thiel, Christiane M.; Bullmore, Edward T.; Zalesky, Andrew; Patel, Ameera X.; Giessing, Carsten

2013-01-01

Individuals differ in their cognitive resilience. Less resilient people demonstrate a greater tendency to vigilance decrements within sustained attention tasks. We hypothesized that a period of sustained attention is followed by prolonged changes in the organization of “resting state” brain networks and that individual differences in cognitive resilience are related to differences in post-task network reorganization. We compared the topological and spatial properties of brain networks as derived from functional MRI data (N = 20) recorded for 6 mins before and 12 mins after the performance of an attentional task. Furthermore we analysed changes in brain topology during task performance and during the switches between rest and task conditions. The cognitive resilience of each individual was quantified as the rate of increase in response latencies over the 32-minute time course of the attentional paradigm. On average, functional networks measured immediately post-task demonstrated significant and prolonged changes in network organization compared to pre-task networks with higher connectivity strength, more clustering, less efficiency, and shorter distance connections. Individual differences in cognitive resilience were significantly correlated with differences in the degree of recovery of some network parameters. Changes in network measures were still present in less resilient individuals in the second half of the post-task period (i.e. 6–12 mins after task completion), while resilient individuals already demonstrated significant reductions of functional connectivity and clustering towards pre-task levels. During task performance brain topology became more integrated with less clustering and higher global efficiency, but linearly decreased with ongoing time-on-task. We conclude that sustained attentional task performance has prolonged, “hang-over” effects on the organization of post-task resting-state brain networks; and that more cognitively resilient individuals demonstrate faster rates of network recovery following a period of attentional effort. PMID:24040185

The organization of domains in proteins obeys Menzerath-Altmann's law of language.

PubMed

Shahzad, Khuram; Mittenthal, Jay E; Caetano-Anollés, Gustavo

2015-08-11

The combination of domains in multidomain proteins enhances their function and structure but lengthens the molecules and increases their cost at cellular level. The dependence of domain length on the number of domains a protein holds was surveyed for a set of 60 proteomes representing free-living organisms from all kingdoms of life. Distributions were fitted using non-linear functions and fitted parameters interpreted with a formulation of decreasing returns. We find that domain length decreases with increasing number of domains in proteins, following the Menzerath-Altmann (MA) law of language. Highly significant negative correlations exist for the set of proteomes examined. Mathematically, the MA law expresses as a power law relationship that unfolds when molecular persistence P is a function of domain accretion. P holds two terms, one reflecting the matter-energy cost of adding domains and extending their length, the other reflecting how domain length and number impinges on information and biophysics. The pattern of diminishing returns can therefore be explained as a frustrated interplay between the strategies of economy, flexibility and robustness, matching previously observed trade-offs in the domain makeup of proteomes. Proteomes of Archaea, Fungi and to a lesser degree Plants show the largest push towards molecular economy, each at their own economic stratum. Fungi increase domain size in single domain proteins while reinforcing the pattern of diminishing returns. In contrast, Metazoa, and to lesser degrees Protista and Bacteria, relax economy. Metazoa achieves maximum flexibility and robustness by harboring compact molecules and complex domain organization, offering a new functional vocabulary for molecular biology. The tendency of parts to decrease their size when systems enlarge is universal for language and music, and now for parts of macromolecules, extending the MA law to natural systems.

Preparation of magnetic core mesoporous shell microspheres with C18-modified interior pore-walls for fast extraction and analysis of phthalates in water samples.

PubMed

Li, Zhongbo; Huang, Danni; Fu, Chinfai; Wei, Biwen; Yu, Wenjia; Deng, Chunhui; Zhang, Xiangmin

2011-09-16

In this study, core-shell magnetic mesoporous microspheres with C18-functionalized interior pore-walls were synthesized through coating Fe(3)O(4) microspheres with a mesoporous inorganic-organic hybrid layer with a n-octadecyltriethoxysilane (C18TES) and tetraethyl orthosilicate (TEOS) as the silica source and cetyltrimethylammonia bromide (CTAB) as a template. The obtained C18-functionalized Fe(3)O(4)@mSiO(2) microspheres possess numerous C18 groups anchored in the interior pore-walls, large surface area (274.7 m(2)/g, high magnetization (40.8 emu/g) and superparamagnetism, uniform mesopores (4.1 nm), which makes them ideal absorbents for simple, fast, and efficient extraction and enrichment of hydrophobic organic compounds in water samples. Several kinds of phthalates were used as the model hydrophobic organic compounds to systematically evaluate the performance of the C18-functionalized Fe(3)O(4)@mSiO(2) microspheres in extracting hydrophobic molecules by using a gas chromatography-mass spectrometry. Various parameters, including eluting solvent, the amounts of absorbents, extraction time and elution time were optimized. Hydrophobic extraction was performed in the interior pore of magnetic mesoporous microspheres, and the materials had the anti-interference ability to macromolecular proteins, which was also investigated in the work. Under the optimized conditions, C18-functionalized Fe(3)O(4)@mSiO(2) microspheres were successfully used to analyze the real water samples. The results indicated that this novel method was fast, convenient and efficient for the target compounds and could avoid being interfered by macromolecules. Copyright © 2011 Elsevier B.V. All rights reserved.

Expression and Regulation of Cholecystokinin Receptor in the Chicken's Immune Organs and Cells.

PubMed

El-Kassas, Seham; Odemuyiwa, Solomon; Hajishengallis, George; Connell, Terry D; Nashar, Toufic O

2016-12-01

Cholecystokinin (CCK) is a neuropeptide that affects growth rate in chickens by regulating appetite. CCK peptides exert their function by binding to two identified receptors, CCKAR and CCKBR in the GI tract and the brain, respectively, as well as in other organs. In mammals, CCK/CCKAR interactions affect a number of immunological parameters, including regulation of lymphocytes and functioning of monocytes. Thus, food intake and growth can potentially be altered by infection and the resulting inflammatory immune response. It is uncertain, however, whether chicken express CCKAR in immune organs and cells, and, if so, whether CCKAR expression is regulated by pathogen derived inflammatory stimuli. Herein, we identify expression of CCKAR protein in chicken peripheral blood mononuclear cells (PBMC) including monocytes, and expression of the CCKAR gene in PBMC, thymus, bursa, and spleen, in selected commercial and pure chicken breeds. Further, stimulation with various types of E. coli heat-labile enterotoxins or lipopolysaccharide significantly regulated expression of CCKAR on monocytes in the different breeds. Ligation of CCKAR with antibodies in PBMC induced mobilization of Ca 2+ , indicating that CCKAR is signal competent. Injection with polyinosinic: polycytidylic acid (poly I:C), a synthetic analogue of double stranded viral RNA that binds Toll-Like Receptor-3 (TLR3), also regulated gene expressions of CCKAR and proinflammatory cytokines, in the different breeds. Interestingly, variations in the expression levels of proinflammatory cytokines in the different breeds were highly correlated with CCKAR expression levels. Taken together, these findings indicate that the physiological function of CCKAR in the chicken is tightly regulated in immune organs and cells by external inflammatory stimuli, which in turn regulate growth. This is the first report CCKAR expression in immune organs and cells, in any species, and the initial observation that CCKAR is regulated by inflammatory stimuli associated with bacterial and viral infection.

Expression and Regulation of Cholecystokinin Receptor in the Chicken's Immune Organs and Cells

PubMed Central

El-Kassas, Seham; Odemuyiwa, Solomon; Hajishengallis, George; Connell, Terry D; Nashar, Toufic O

2017-01-01

Cholecystokinin (CCK) is a neuropeptide that affects growth rate in chickens by regulating appetite. CCK peptides exert their function by binding to two identified receptors, CCKAR and CCKBR in the GI tract and the brain, respectively, as well as in other organs. In mammals, CCK/CCKAR interactions affect a number of immunological parameters, including regulation of lymphocytes and functioning of monocytes. Thus, food intake and growth can potentially be altered by infection and the resulting inflammatory immune response. It is uncertain, however, whether chicken express CCKAR in immune organs and cells, and, if so, whether CCKAR expression is regulated by pathogen derived inflammatory stimuli. Herein, we identify expression of CCKAR protein in chicken peripheral blood mononuclear cells (PBMC) including monocytes, and expression of the CCKAR gene in PBMC, thymus, bursa, and spleen, in selected commercial and pure chicken breeds. Further, stimulation with various types of E. coli heat-labile enterotoxins or lipopolysaccharide significantly regulated expression of CCKAR on monocytes in the different breeds. Ligation of CCKAR with antibodies in PBMC induced mobilization of Ca2+, indicating that CCKAR is signal competent. Injection with polyinosinic: polycytidylic acid (poly I:C), a synthetic analogue of double stranded viral RNA that binds Toll-Like Receptor-3 (TLR3), also regulated gene expressions of CCKAR and proinflammatory cytokines, in the different breeds. Interestingly, variations in the expression levels of proinflammatory cytokines in the different breeds were highly correlated with CCKAR expression levels. Taken together, these findings indicate that the physiological function of CCKAR in the chicken is tightly regulated in immune organs and cells by external inflammatory stimuli, which in turn regulate growth. This is the first report CCKAR expression in immune organs and cells, in any species, and the initial observation that CCKAR is regulated by inflammatory stimuli associated with bacterial and viral infection. PMID:28149670

Patient-specific models of cardiac biomechanics

NASA Astrophysics Data System (ADS)

Krishnamurthy, Adarsh; Villongco, Christopher T.; Chuang, Joyce; Frank, Lawrence R.; Nigam, Vishal; Belezzuoli, Ernest; Stark, Paul; Krummen, David E.; Narayan, Sanjiv; Omens, Jeffrey H.; McCulloch, Andrew D.; Kerckhoffs, Roy C. P.

2013-07-01

Patient-specific models of cardiac function have the potential to improve diagnosis and management of heart disease by integrating medical images with heterogeneous clinical measurements subject to constraints imposed by physical first principles and prior experimental knowledge. We describe new methods for creating three-dimensional patient-specific models of ventricular biomechanics in the failing heart. Three-dimensional bi-ventricular geometry is segmented from cardiac CT images at end-diastole from patients with heart failure. Human myofiber and sheet architecture is modeled using eigenvectors computed from diffusion tensor MR images from an isolated, fixed human organ-donor heart and transformed to the patient-specific geometric model using large deformation diffeomorphic mapping. Semi-automated methods were developed for optimizing the passive material properties while simultaneously computing the unloaded reference geometry of the ventricles for stress analysis. Material properties of active cardiac muscle contraction were optimized to match ventricular pressures measured by cardiac catheterization, and parameters of a lumped-parameter closed-loop model of the circulation were estimated with a circulatory adaptation algorithm making use of information derived from echocardiography. These components were then integrated to create a multi-scale model of the patient-specific heart. These methods were tested in five heart failure patients from the San Diego Veteran's Affairs Medical Center who gave informed consent. The simulation results showed good agreement with measured echocardiographic and global functional parameters such as ejection fraction and peak cavity pressures.

Simulation of Soil Quality with Riparian Forests and Cultivated with Sugarcane

NASA Astrophysics Data System (ADS)

da Silva, Luiz Gabriel; Colato, Alexandre; Casagrande, José Carlos; Soares, Marcio Roberto; Perissatto Meneghin, Silvana

2013-04-01

Riparian forests are entrusted with important hydrological functions, such as riparian zone protection, filtering sediments and nutrients and mitigation of the amount of nutrients and xenobiotic molecules from the surrounding agro ecosystems. The soil was sampled in the depths of 0-0,2 and 0.2-0.4 m and its chemical (nutrient content and organic matter, cationic exchange capacity - CEC, sum of bases-SB, bases saturation, V%, and aluminum saturation, m%); physical (particle size distribution, density and porosity) and microbiological attributes (basal respiration and microbial biomass) were determined. This work aimed to study the liner method of combining data, figures of merit (FoM), weighing process and the scoring functions developed by Wymore and asses the quality of the soil (SQI) by means of chemical, physical and microbiological soil attributes, employing the additive pondered model for two areas of riparian forest at different stages of ecological succession and an adjacent area cultivated with sugar cane, located on the dam shores of Sugar Mill Saint Lucia-Araras/SP. Some hierarchical functions containing FoMs and their parameters were constructed, and from them weights were assigned to each FoM and parameter, in a way that cluster of structures with the same FoMs and parameters with different weights were formed. These clusters were used to calculate the SQI for all vegetal formations considering two types of soil (Oxisol and Podzol), in that way, the SQI was calculated for each combination of vegetation and soil. The SQIs values were usually higher in the oldest riparian forest, while the recent riparian forest showed the smallest SQI values, for both types of soil. The variation of values within a combination vegetation/soil was also different between all combinations, being that the set of values from the oldest riparian forest presented the lowest amplitude. It was also observed that the Oxisols, regardless of the vegetation, presented higher SQIs values and smaller amplitude than the Podzols. It can be noted that this occurs mainly due to the amount of organic matter (OM) in the soil, that besides differ between all the vegetations and types of soil, influences many parameters used in the model. Thus, in the structures where was assigned higher weighs to OM, the SQIs values tended to present higher differences between the combinations with great amount of OM and these with small amount of OM, which can be noted clearly comparing the SQIs values from the oldest riparian forest with the other vegetations.

Comparison of Regression Analysis and Transfer Function in Estimating the Parameters of Central Pulse Waves from Brachial Pulse Wave.

PubMed

Chai, Rui; Xu, Li-Sheng; Yao, Yang; Hao, Li-Ling; Qi, Lin

2017-01-01

This study analyzed ascending branch slope (A_slope), dicrotic notch height (Hn), diastolic area (Ad) and systolic area (As) diastolic blood pressure (DBP), systolic blood pressure (SBP), pulse pressure (PP), subendocardial viability ratio (SEVR), waveform parameter (k), stroke volume (SV), cardiac output (CO), and peripheral resistance (RS) of central pulse wave invasively and non-invasively measured. Invasively measured parameters were compared with parameters measured from brachial pulse waves by regression model and transfer function model. Accuracy of parameters estimated by regression and transfer function model, was compared too. Findings showed that k value, central pulse wave and brachial pulse wave parameters invasively measured, correlated positively. Regression model parameters including A_slope, DBP, SEVR, and transfer function model parameters had good consistency with parameters invasively measured. They had same effect of consistency. SBP, PP, SV, and CO could be calculated through the regression model, but their accuracies were worse than that of transfer function model.

Steering the Properties of MoOx Hole Transporting Layers in OPVs and OLEDs: Interface Morphology vs. Electronic Structure

PubMed Central

Marchal, Wouter; Verboven, Inge; Kesters, Jurgen; Moeremans, Boaz; De Dobbelaere, Christopher; Bonneux, Gilles; Elen, Ken; Conings, Bert; Maes, Wouter; Boyen, Hans Gerd; Deferme, Wim; Van Bael, Marlies; Hardy, An

2017-01-01

The identification, fine-tuning, and process optimization of appropriate hole transporting layers (HTLs) for organic solar cells is indispensable for the production of efficient and sustainable functional devices. In this study, the optimization of a solution-processed molybdenum oxide (MoOx) layer fabricated from a combustion precursor is carried out via the introduction of zirconium and tin additives. The evaluation of the output characteristics of both organic photovoltaic (OPV) and organic light emitting diode (OLED) devices demonstrates the beneficial influence upon the addition of the Zr and Sn ions compared to the generic MoOx precursor. A dopant effect in which the heteroatoms and the molybdenum oxide form a chemical identity with fundamentally different structural properties could not be observed, as the additives do not affect the molybdenum oxide composition or electronic band structure. An improved surface roughness due to a reduced crystallinity was found to be a key parameter leading to the superior performance of the devices employing modified HTLs. PMID:28772483

Low-Reynolds-number swimming at pycnoclines.

PubMed

Doostmohammadi, Amin; Stocker, Roman; Ardekani, Arezoo M

2012-03-06

Microorganisms play pivotal functions in the trophic dynamics and biogeochemistry of aquatic ecosystems. Their concentrations and activities often peak at localized hotspots, an important example of which are pycnoclines, where water density increases sharply with depth due to gradients in temperature or salinity. At pycnoclines organisms are exposed to different environmental conditions compared to the bulk water column, including reduced turbulence, slow mass transfer, and high particle and predator concentrations. Here we show that, at an even more fundamental level, the density stratification itself can affect microbial ecology at pycnoclines, by quenching the flow signature, increasing the energetic expenditure, and stifling the nutrient uptake of motile organisms. We demonstrate this through numerical simulations of an archetypal low-Reynolds-number swimmer, the "squirmer." We identify the Richardson number--the ratio of buoyancy forces to viscous forces--as the fundamental parameter that quantifies the effects of stratification. These results demonstrate an unexpected effect of buoyancy on low-Reynolds-number swimming, potentially affecting a broad range of abundant organisms living at pycnoclines in oceans and lakes.

Correlations induced by depressing synapses in critically self-organized networks with quenched dynamics

NASA Astrophysics Data System (ADS)

Campos, João Guilherme Ferreira; Costa, Ariadne de Andrade; Copelli, Mauro; Kinouchi, Osame

2017-04-01

In a recent work, mean-field analysis and computer simulations were employed to analyze critical self-organization in networks of excitable cellular automata where randomly chosen synapses in the network were depressed after each spike (the so-called annealed dynamics). Calculations agree with simulations of the annealed version, showing that the nominal branching ratio σ converges to unity in the thermodynamic limit, as expected of a self-organized critical system. However, the question remains whether the same results apply to the biological case where only the synapses of firing neurons are depressed (the so-called quenched dynamics). We show that simulations of the quenched model yield significant deviations from σ =1 due to spatial correlations. However, the model is shown to be critical, as the largest eigenvalue of the synaptic matrix approaches unity in the thermodynamic limit, that is, λc=1 . We also study the finite size effects near the critical state as a function of the parameters of the synaptic dynamics.

Steering the Properties of MoOx Hole Transporting Layers in OPVs and OLEDs: Interface Morphology vs. Electronic Structure.

PubMed

Marchal, Wouter; Verboven, Inge; Kesters, Jurgen; Moeremans, Boaz; De Dobbelaere, Christopher; Bonneux, Gilles; Elen, Ken; Conings, Bert; Maes, Wouter; Boyen, Hans Gerd; Deferme, Wim; Van Bael, Marlies; Hardy, An

2017-01-30

The identification, fine-tuning, and process optimization of appropriate hole transporting layers (HTLs) for organic solar cells is indispensable for the production of efficient and sustainable functional devices. In this study, the optimization of a solution-processed molybdenum oxide (MoOx) layer fabricated from a combustion precursor is carried out via the introduction of zirconium and tin additives. The evaluation of the output characteristics of both organic photovoltaic (OPV) and organic light emitting diode (OLED) devices demonstrates the beneficial influence upon the addition of the Zr and Sn ions compared to the generic MoOx precursor. A dopant effect in which the heteroatoms and the molybdenum oxide form a chemical identity with fundamentally different structural properties could not be observed, as the additives do not affect the molybdenum oxide composition or electronic band structure. An improved surface roughness due to a reduced crystallinity was found to be a key parameter leading to the superior performance of the devices employing modified HTLs.

Solvothermal synthesis and structural characterization of a three-dimensional metal organic polymer [NaZn(1,2,4-BTC)] (1,2,4-BTC=1,2,4-benzenetricarboxylate)

NASA Astrophysics Data System (ADS)

Wang, Lei; Shi, Zhan; Li, Guanghua; Fan, Yong; Fu, Wensheng; Feng, Shouhua

2004-01-01

A new three-dimensional metal-organic polymer, [NaZn(1,2,4-BTC)] (where 1,2,4-BTC=1,2,4-benzenetricarboxylate), has been prepared under solvothermal conditions and characterized by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P2 1/ c, with cell parameters: a=9.7706(4) Å, b=12.3549(5) Å, c=6.8897(3) Å, β=91.640(2)°, V=831.35(6) Å 3 and Z=4. In the three-dimensional structure of the compound, each Zn atom is five-coordinated in distorted trigonal bipyramidal geometry, while the sixfold coordination of Na corresponds to a slightly distorted triangular prism. The organic ligand, 1,2,4-BTC, shows a novel and unprecedented coordination mode: 11 bonds to 10 metals with each carboxylate function exhibiting different linkages. It remains stable when desolvated and when heated up to 410 °C.

45 CFR 701.13 - Staff organization and functions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 45 Public Welfare 3 2014-10-01 2014-10-01 false Staff organization and functions. 701.13 Section... ORGANIZATION AND FUNCTIONS OF THE COMMISSION Organization Statement § 701.13 Staff organization and functions. The Commission staff organization and function are as follows: (a) Office of the Staff Director. Under...

45 CFR 701.13 - Staff organization and functions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 45 Public Welfare 3 2010-10-01 2010-10-01 false Staff organization and functions. 701.13 Section... ORGANIZATION AND FUNCTIONS OF THE COMMISSION Organization Statement § 701.13 Staff organization and functions. The Commission staff organization and function are as follows: (a) Office of the Staff Director. Under...

45 CFR 701.13 - Staff organization and functions.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 45 Public Welfare 3 2013-10-01 2013-10-01 false Staff organization and functions. 701.13 Section... ORGANIZATION AND FUNCTIONS OF THE COMMISSION Organization Statement § 701.13 Staff organization and functions. The Commission staff organization and function are as follows: (a) Office of the Staff Director. Under...

45 CFR 701.13 - Staff organization and functions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 45 Public Welfare 3 2011-10-01 2011-10-01 false Staff organization and functions. 701.13 Section... ORGANIZATION AND FUNCTIONS OF THE COMMISSION Organization Statement § 701.13 Staff organization and functions. The Commission staff organization and function are as follows: (a) Office of the Staff Director. Under...

45 CFR 701.13 - Staff organization and functions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 45 Public Welfare 3 2012-10-01 2012-10-01 false Staff organization and functions. 701.13 Section... ORGANIZATION AND FUNCTIONS OF THE COMMISSION Organization Statement § 701.13 Staff organization and functions. The Commission staff organization and function are as follows: (a) Office of the Staff Director. Under...

In plane optical sensor based on organic electronic devices

NASA Astrophysics Data System (ADS)

Koetse, Marc; Rensing, Peter; van Heck, Gert; Sharpe, Ruben; Allard, Bart; Wieringa, Fokko; Kruijt, Peter; Meulendijks, Nicole; Jansen, Henk; Schoo, Herman

2008-08-01

Sensors based on organic electronic devices are emerging in a wide range of application areas. Here we present a sensor platform using organic light emitting diodes (OLED) and organic photodiodes (OPD) as active components. By means of lamination and interconnection technology the functional foils with OLED and OPD arrays form an in-plane optical sensor platform (IPOS). This platform can be extended with a wireless data and signal processing unit yielding a sensor node. The focus of our research is to engage the node in a healthcare application, in which a bandage is able to monitor the vital signs of a person, a so-called Smart Bandage. One of the principles that is described here is based on measuring the absorption modulation of blood volume induced by the pulse (photoplethysmography). The information from such a bandage could be used to monitor wound healing by measuring the perfusion in the skin. The OLED and OPD devices are manufactured on separate foils and glass substrates by means of printing and coating technologies. Furthermore, the modular approach allows for the application of the optical sensing unit in a variety of other fields including chemical sensing. This, ultimately enables the measurement of a large variety of physiological parameters using the same bandage and the same basic sensor architecture. Here we discuss the build-up of our device in general terms. Specific characteristics of the used OLEDs and OPDs are shown and finally we demonstrate the functionality by simultaneously recorded photoplethysmograms of our device and a clinical pulseoximeter.

Halogenation of Hydraulic Fracturing Additives in the Shale Well Parameter Space

NASA Astrophysics Data System (ADS)

Sumner, A. J.; Plata, D.

2017-12-01

Horizontal Drilling and Hydraulic fracturing (HDHF) involves the deep-well injection of a `fracking fluid' composed of diverse and numerous chemical additives designed to facilitate the release and collection of natural gas from shale plays. The potential impacts of HDHF operations on water resources and ecosystems are numerous, and analyses of flowback samples revealed organic compounds from both geogenic and anthropogenic sources. Furthermore, halogenated chemicals were also detected, and these compounds are rarely disclosed, suggesting the in situ halogenation of reactive additives. To test this transformation hypothesis, we designed and operated a novel high pressure and temperature reactor system to simulate the shale well parameter space and investigate the chemical reactivity of twelve commonly disclosed and functionally diverse HDHF additives. Early results revealed an unanticipated halogenation pathway of α-β unsaturated aldehyde, Cinnamaldehyde, in the presence of oxidant and concentrated brine. Ongoing experiments over a range of parameters informed a proposed mechanism, demonstrating the role of various shale-well specific parameters in enabling the demonstrated halogenation pathway. Ultimately, these results will inform a host of potentially unintended interactions of HDHF additives during the extreme conditions down-bore of a shale well during HDHF activities.

The effect of moisture content on the thermal conductivity of moss and organic soil horizons from black spruce ecosystems in interior alaska

USGS Publications Warehouse

O'Donnell, J. A.; Romanovsky, V.E.; Harden, J.W.; McGuire, A.D.

2009-01-01

Organic soil horizons function as important controls on the thermal state of near-surface soil and permafrost in high-latitude ecosystems. The thermal conductivity of organic horizons is typically lower than mineral soils and is closely linked to moisture content, bulk density, and water phase. In this study, we examined the relationship between thermal conductivity and soil moisture for different moss and organic horizon types in black spruce ecosystems of interior Alaska. We sampled organic horizons from feather moss-dominated and Sphagnum-dominated stands and divided horizons into live moss and fibrous and amorphous organic matter. Thermal conductivity measurements were made across a range of moisture contents using the transient line heat source method. Our findings indicate a strong positive and linear relationship between thawed thermal conductivity (Kt) and volumetric water content. We observed similar regression parameters (?? or slope) across moss types and organic horizons types and small differences in ??0 (y intercept) across organic horizon types. Live Sphagnum spp. had a higher range of Kt than did live feather moss because of the field capacity (laboratory based) of live Sphagnum spp. In northern regions, the thermal properties of organic soil horizons play a critical role in mediating the effects of climate warming on permafrost conditions. Findings from this study could improve model parameterization of thermal properties in organic horizons and enhance our understanding of future permafrost and ecosystem dynamics. ?? 2009 by Lippincott Williams & Wilkins, Inc.

PREDICTION OF CHEMICAL REACTIVITY PARAMETERS AND PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FROM MOLECULAR STRUCTURE USING SPARC

EPA Science Inventory

The computer program SPARC (SPARC Performs Automated Reasoning in Chemistry) has been under development for several years to estimate physical properties and chemical reactivity parameters of organic compounds strictly from molecular structure. SPARC uses computational algorithms...

Setting priorities in health care organizations: criteria, processes, and parameters of success.

PubMed

Gibson, Jennifer L; Martin, Douglas K; Singer, Peter A

2004-09-08

Hospitals and regional health authorities must set priorities in the face of resource constraints. Decision-makers seek practical ways to set priorities fairly in strategic planning, but find limited guidance from the literature. Very little has been reported from the perspective of Board members and senior managers about what criteria, processes and parameters of success they would use to set priorities fairly. We facilitated workshops for board members and senior leadership at three health care organizations to assist them in developing a strategy for fair priority setting. Workshop participants identified 8 priority setting criteria, 10 key priority setting process elements, and 6 parameters of success that they would use to set priorities in their organizations. Decision-makers in other organizations can draw lessons from these findings to enhance the fairness of their priority setting decision-making. Lessons learned in three workshops fill an important gap in the literature about what criteria, processes, and parameters of success Board members and senior managers would use to set priorities fairly.

Self-organization of pulsing and bursting in a CO{sub 2} laser with opto-electronic feedback

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

Freire, Joana G.; Instituto de Altos Estudos da Paraíba, Rua Infante Dom Henrique 100-1801, 58039-150 João Pessoa; CELC, Departamento de Matemática, Universidade de Lisboa, 1649-003 Lisboa

We report a detailed investigation of the stability of a CO{sub 2} laser with feedback as described by a six-dimensional rate-equations model which provides satisfactory agreement between numerical and experimental results. We focus on experimentally accessible parameters, like bias voltage, feedback gain, and the bandwidth of the feedback loop. The impact of decay rates and parameters controlling cavity losses are also investigated as well as control planes which imply changes of the laser physical medium. For several parameter combinations, we report stability diagrams detailing how laser spiking and bursting is organized over extended intervals. Laser pulsations are shown to emergemore » organized in several hitherto unseen regular and irregular phases and to exhibit a much richer and complex range of behaviors than described thus far. A significant observation is that qualitatively similar organization of laser spiking and bursting can be obtained by tuning rather distinct control parameters, suggesting the existence of unexpected symmetries in the laser control space.« less

Cadaveric renal preservation with hyperosmolar, intracellular hypothermic washout solution and cold storage.

PubMed

Diethelm, A G; Blackstone, E H

1978-07-01

All 54 kidneys obtained from heart-beating cadavers functioned when preserved by a brief washout using a hypothermic, hyperosmolar, hyperkalemic perfusate, followed by cold storage. The duration of preservation ranged from two hours and 57 minutes to 39 hours and 47 minutes. Two other kidneys retrieved from a nonheart-beating cadaver and preserved by the same technique failed to function because of irreversible acute tubular necrosis. Fifty-six consecutive transplant patients were divided into four groups according to the period of preservation. There was no correlation between graft rejection, frequency of post-transplant dialysis, long term graft function and survival time, when the duration of preservation was less than 24 hours. The advantages of this technique included technical simplicity, low cost, minimal risk of graft infection and easy transportation. The two primary disadvantages were an apparent 24 to 30 hour limit of organ preservation with prompt function and the inability to determine intrarenal perfusion pressure during preservation, thereby missing an important parameter of graft viability.

Advantages and risks of using steel slag in preparing composts from raw organic waste.

PubMed

Tu, Xuefei; Aneksampant, Apichaya; Kobayashi, Shizusa; Tanaka, Atsushi; Nishimoto, Ryo; Fukushima, Masami

2017-01-02

It had been reported that iron and manganese oxides in steel slag enhanced the production of humic acid (HA) from low-molecular-weight compounds, such as phenolic acids, amino acids, and saccharides. In the present study, this function of steel slag was applied to the composting of raw organic wastes (ROWs). The degree of humification of HAs is an important factor in evaluating compost quality. Thus, HAs were extracted from the prepared composts and the humification parameters were determined, in terms of elemental compositions, acidic functional group contents, molecular weights, spectroscopic parameters from UV-vis absorption and 13 C NMR spectra. The timing for adding steel slag affected the degree of humification of HAs in the composts. The weight average molecular weight of a HA when slag was added initially (29 kDa) was significantly higher than when slag was added after elevating the temperature of the compost pile (17-18 kDa). These results show that ROWs are decomposed to low-molecular-weight compounds after the pile temperature is elevated and the presence of slag enhances the polycondensation of these compounds to produce HAs with a higher degree of humification. Because the slag used in the present study contained several-tens ng g -1 to several μg g -1 of toxic elements (B, Cu, Cr, and Zn), leaching tests for these elements from the prepared composts were carried out. Levels for leaching boron from composts prepared by adding slag (0.2-0.4 mg L -1 ) were obviously higher than the corresponding levels without slag (0.05 mg L -1 ).

Controlling interfacial properties in supported metal oxide catalysts through metal–organic framework templating

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

Abney, Carter W.; Patterson, Jacob T.; Gilhula, James C.

Precise control over the chemical structure of hard-matter materials is a grand challenge of basic science and a prerequisite for the development of advanced catalyst systems. In this work we report the application of a sacrificial metal-organic framework (MOF) template for the synthesis of a porous supported metal oxide catalyst, demonstrating proof-of-concept for a highly generalizable approach to the preparation new catalyst materials. Application of 2,2’-bipyridine-5,5’-dicarboxylic acid as the organic strut in the Ce MOF precursor results in chelation of Cu 2+ and affords isolation of the metal oxide precursor. Following pyrolysis of the template, homogeneously dispersed CuO nanoparticles aremore » formed in the resulting porous CeO 2 support. By partially substituting non-chelating 1,1’-biphenyl-4,4’-dicarboxylic acid, the Cu 2+ loading and dispersion can be finely tuned, allowing precise control over the CuO/CeO 2 interface in the final catalyst system. Characterization by x-ray diffraction, x-ray absorption fine structure spectroscopy, and in situ IR spectroscopy/mass spectrometry confirm control over interface formation to be a function of template composition, constituting the first report of a MOF template being used to control interfacial properties in a supported metal oxide. Using CO oxidation as a model reaction, the system with the greatest number of interfaces possessed the lowest activation energy and better activity under differential conditions, but required higher temperature for catalytic onset and displayed inferior efficiency at 100 °C than systems with higher Cu-loading. This finding is attributable to greater CO adsorption in the more heavily-loaded systems, and indicates catalyst performance for these supported oxide systems to be a function of at least two parameters: size of adsorption site and extent of interface. In conclusion, optimization of catalyst materials thus requires precise control over synthesis parameters, such as is demonstrated by this MOF-templating method.« less

Test suite for image-based motion estimation of the brain and tongue

NASA Astrophysics Data System (ADS)

Ramsey, Jordan; Prince, Jerry L.; Gomez, Arnold D.

2017-03-01

Noninvasive analysis of motion has important uses as qualitative markers for organ function and to validate biomechanical computer simulations relative to experimental observations. Tagged MRI is considered the gold standard for noninvasive tissue motion estimation in the heart, and this has inspired multiple studies focusing on other organs, including the brain under mild acceleration and the tongue during speech. As with other motion estimation approaches, using tagged MRI to measure 3D motion includes several preprocessing steps that affect the quality and accuracy of estimation. Benchmarks, or test suites, are datasets of known geometries and displacements that act as tools to tune tracking parameters or to compare different motion estimation approaches. Because motion estimation was originally developed to study the heart, existing test suites focus on cardiac motion. However, many fundamental differences exist between the heart and other organs, such that parameter tuning (or other optimization) with respect to a cardiac database may not be appropriate. Therefore, the objective of this research was to design and construct motion benchmarks by adopting an "image synthesis" test suite to study brain deformation due to mild rotational accelerations, and a benchmark to model motion of the tongue during speech. To obtain a realistic representation of mechanical behavior, kinematics were obtained from finite-element (FE) models. These results were combined with an approximation of the acquisition process of tagged MRI (including tag generation, slice thickness, and inconsistent motion repetition). To demonstrate an application of the presented methodology, the effect of motion inconsistency on synthetic measurements of head- brain rotation and deformation was evaluated. The results indicated that acquisition inconsistency is roughly proportional to head rotation estimation error. Furthermore, when evaluating non-rigid deformation, the results suggest that inconsistent motion can yield "ghost" shear strains, which are a function of slice acquisition viability as opposed to a true physical deformation.

Test Suite for Image-Based Motion Estimation of the Brain and Tongue

PubMed Central

Ramsey, Jordan; Prince, Jerry L.; Gomez, Arnold D.

2017-01-01

Noninvasive analysis of motion has important uses as qualitative markers for organ function and to validate biomechanical computer simulations relative to experimental observations. Tagged MRI is considered the gold standard for noninvasive tissue motion estimation in the heart, and this has inspired multiple studies focusing on other organs, including the brain under mild acceleration and the tongue during speech. As with other motion estimation approaches, using tagged MRI to measure 3D motion includes several preprocessing steps that affect the quality and accuracy of estimation. Benchmarks, or test suites, are datasets of known geometries and displacements that act as tools to tune tracking parameters or to compare different motion estimation approaches. Because motion estimation was originally developed to study the heart, existing test suites focus on cardiac motion. However, many fundamental differences exist between the heart and other organs, such that parameter tuning (or other optimization) with respect to a cardiac database may not be appropriate. Therefore, the objective of this research was to design and construct motion benchmarks by adopting an “image synthesis” test suite to study brain deformation due to mild rotational accelerations, and a benchmark to model motion of the tongue during speech. To obtain a realistic representation of mechanical behavior, kinematics were obtained from finite-element (FE) models. These results were combined with an approximation of the acquisition process of tagged MRI (including tag generation, slice thickness, and inconsistent motion repetition). To demonstrate an application of the presented methodology, the effect of motion inconsistency on synthetic measurements of head-brain rotation and deformation was evaluated. The results indicated that acquisition inconsistency is roughly proportional to head rotation estimation error. Furthermore, when evaluating non-rigid deformation, the results suggest that inconsistent motion can yield “ghost” shear strains, which are a function of slice acquisition viability as opposed to a true physical deformation. PMID:28781414