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https://www.readbyqxmd.com/read/28432972/assessment-of-the-bioavailability-and-depuration-of-uranium-cesium-and-thorium-in-snails-cantareus-aspersus-using-kinetics-models
#1
B Pauget, A Villeneuve, P O Redon, A Cuvier, A de Vaufleury
Uranium ore waste has led to soil contamination that may affect both environmental and soil health. To analyze the risk of metal transfer, metal bioavailability must be estimated by measuring biological parameters. Kinetic studies allow taking into account the dynamic mechanisms of bioavailability, as well as the steady state concentration in organisms necessary to take into account for relevant risk assessment. In this way, this work aims to model the snail accumulation and excretion kinetics of uranium (U), cesium (Cs) and thorium (Th)...
April 7, 2017: Journal of Hazardous Materials
https://www.readbyqxmd.com/read/28432960/molecular-dynamic-simulations-on-tkx-50-rdx-cocrystal
#2
Shuling Xiong, Shusen Chen, Shaohua Jin
Dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50) is a newly synthesized energetic material with excellent comprehensive properties. Cyclotrimethylenetrinitramine (RDX) is currently one of the most widely used energetic materials in the world. TKX-50 and RDX supercell models and TKX-50/RDX cocrystal model were constructed based on their crystal cell parameters and the formation mechanism of cocrystal, respectively, then they were simulated by molecular dynamics (MD) simulations. The maximum trigger bond (NNO2) length(Lmax), binding energy (Ebind), radial distribution function (RDF), cohesive energy density(CED) and mechanical properties were simulated at different temperatures based on the simulated equilibrium structures of the models...
March 19, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28432793/single-and-dual-cyclodextrins-systems-for-the-enantiomeric-and-diastereoisomeric-separations-of-structurally-related-dihydropyridone-analogues
#3
Thibaut Delplanques, Rajaa Boulahjar, Julie Charton, Corentin Houze, Michaël Howsam, Anne-Catherine Servais, Marianne Fillet, Emmanuelle Lipka
Cyclodextrin capillary electrophoresis methods (CD-CZE) were developed for complete enantiomeric and diastereoisomeric separations of a series of ten dihydropyridone analogues, of which eight were neutral, one was anionic and one was cationic. Ten different systems comprising one or two cyclodextrins were found to successfully separate the isomers thanks to a screening approach. Among the tested cyclodextrins, HS-γ-CD, either in a single or in a dual system, in a phosphate buffer using capillaries dynamically coated with polyethylene oxide (PEO), and SBE-β-CD, either in a single or in a dual system, in a borate buffer using uncoated capillaries, were the most selective selectors...
April 22, 2017: Electrophoresis
https://www.readbyqxmd.com/read/28432739/effect-of-a-4-week-elastic-resistance-band-training-regimen-on-back-kinematics-in-horses-trotting-in-hand-and-on-the-lunge
#4
T Pfau, V Simons, N Rombach, N Stubbs, R Weller
REASONS FOR PERFORMING STUDY: Training and rehabilitation techniques aiming at improving core muscle strength may result in increased dynamic stability of the equine vertebral column. A system of elastic resistance bands is suggested to provide proprioceptive feedback during motion to encourage recruitment of core abdominal and hindquarter musculature for improved dynamic stability. OBJECTIVES: To quantify the effects of a specific resistance band system on back kinematics during trot in-hand and during lungeing at beginning and end of a 4-week exercise programme...
April 22, 2017: Equine Veterinary Journal
https://www.readbyqxmd.com/read/28432674/partial-volume-correction-of-brain-pet-studies-using-iterative-deconvolution-in-combination-with-hypr-denoising
#5
Sandeep S V Golla, Mark Lubberink, Bart N M van Berckel, Adriaan A Lammertsma, Ronald Boellaard
BACKGROUND: Accurate quantification of PET studies depends on the spatial resolution of the PET data. The commonly limited PET resolution results in partial volume effects (PVE). Iterative deconvolution methods (IDM) have been proposed as a means to correct for PVE. IDM improves spatial resolution of PET studies without the need for structural information (e.g. MR scans). On the other hand, deconvolution also increases noise, which results in lower signal-to-noise ratios (SNR). The aim of this study was to implement IDM in combination with HighlY constrained back-PRojection (HYPR) denoising to mitigate poor SNR properties of conventional IDM...
December 2017: EJNMMI Research
https://www.readbyqxmd.com/read/28432531/effectiveness-of-nanoencapsulated-methotrexate-against-osteosarcoma-cells-in-vitro-cytotoxicity-under-dynamic-conditions
#6
O Mitxelena-Iribarren, C L Hisey, M Errazquin-Irigoyen, Y González-Fernández, E Imbuluzqueta, M Mujika, M J Blanco-Prieto, S Arana
Cancer is a leading cause of mortality in the world, with osteosarcoma being one of the most common types among children between 1 and 14 years old. Current treatments including preoperative chemotherapy, surgery and postoperative chemotherapy produce several side effects with limited effectiveness. The use of lipid nanoparticles as biodegradable shells for controlled drug delivery shows promise as a more effective and targeted tumor treatment. However, in vitro validation of these vehicles is limited due to fluid stagnation in current techniques, in which nanoparticles sediment onto the bottom of the wells killing the cells by asphyxiation...
June 2017: Biomedical Microdevices
https://www.readbyqxmd.com/read/28432323/refractive-index-tomograms-and-dynamic-membrane-fluctuations-of-red-blood-cells-from-patients-with-diabetes-mellitus
#7
SangYun Lee, HyunJoo Park, Kyoohyun Kim, YongHak Sohn, Seongsoo Jang, YongKeun Park
In this paper, we present the optical characterisations of diabetic red blood cells (RBCs) in a non-invasive manner employing three-dimensional (3-D) quantitative phase imaging. By measuring 3-D refractive index tomograms and 2-D time-series phase images, the morphological (volume, surface area and sphericity), biochemical (haemoglobin concentration and content) and mechanical (membrane fluctuation) parameters were quantitatively retrieved at the individual cell level. With simultaneous measurements of individual cell properties, systematic correlative analyses on retrieved RBC parameters were also performed...
April 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28432256/global-sensitivity-analysis-of-onguard-models-identifies-key-hubs-for-transport-interaction-in-stomatal-dynamics
#8
Silvere Rm Vialet-Chabrand, Adrian Hills, Yizhou Wang, Howard Griffiths, Virgilio Lew, Tracy Lawson, Mike R Blatt, Simon Rogers
The physical requirement for charge to balance across biological membranes means that transmembrane transport of each ionic species is inter-related, and manipulating solute flux through any one transporter will affect other transporters at the same membrane, often with unforeseen consequences. The OnGuard systems modelling platform has helped to resolve the mechanics of stomatal movements, uncovering previously unexpected behaviors of stomata. To date, however, the manual approach to exploring model parameter space has captured little formal information about the emergent connections between parameters that define the most interesting properties of the system as a whole...
April 21, 2017: Plant Physiology
https://www.readbyqxmd.com/read/28432182/toward-a-direct-and-scalable-identification-of-reduced-models-for-categorical-processes
#9
Susanne Gerber, Illia Horenko
The applicability of many computational approaches is dwelling on the identification of reduced models defined on a small set of collective variables (colvars). A methodology for scalable probability-preserving identification of reduced models and colvars directly from the data is derived-not relying on the availability of the full relation matrices at any stage of the resulting algorithm, allowing for a robust quantification of reduced model uncertainty and allowing us to impose a priori available physical information...
April 21, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28431923/sources-of-racial-disparities-in-hiv-prevalence-in-men-who-have-sex-with-men-in-atlanta-ga-usa-a-modelling-study
#10
Steven M Goodreau, Eli S Rosenberg, Samuel M Jenness, Nicole Luisi, Sarah E Stansfield, Gregorio A Millett, Patrick S Sullivan
BACKGROUND: In the USA, men who have sex men (MSM) are at high risk for HIV, and black MSM have a substantially higher prevalence of infection than white MSM. We created a simulation model to assess the strength of existing hypotheses and data that account for these disparities. METHODS: We built a dynamic, stochastic, agent-based network model of black and white MSM aged 18-39 years in Atlanta, GA, USA, that incorporated race-specific individual and dyadic-level prevention and risk behaviours, network attributes, and care patterns...
April 18, 2017: Lancet HIV
https://www.readbyqxmd.com/read/28431428/computational-and-in-vitro-experimental-investigation-of-intrathecal-drug-distribution-parametric-study-of-the-effect-of-injection-volume-cerebrospinal-fluid-pulsatility-and-drug-uptake
#11
Kevin M Tangen, Roxanne Leval, Ankit I Mehta, Andreas A Linninger
BACKGROUND: Intrathecal drug delivery is an attractive option to circumvent the blood-brain barrier for pain management through its increased efficacy of pain relief, reduction in adverse side effects, and cost-effectiveness. Unfortunately, there are limited guidelines for physicians to choose infusion or drug pump settings to administer therapeutic doses to specific regions of the spine or the brain. Although empiric trialing of intrathecal drugs is critical to determine the sustained side effects, currently there is no inexpensive in vitro method to guide the selection of spinal drug delivery parameters...
May 2017: Anesthesia and Analgesia
https://www.readbyqxmd.com/read/28431045/water-table-drawdown-shapes-the-depth-dependent-variations-in-prokaryotic-diversity-and-structure-in-zoige-peatlands
#12
Qiuping Zhong, Huai Chen, Liangfeng Liu, Yixin He, Dan Zhu, Lin Jiang, Wei Zhan, Ji Hu
Microbial communities are important to ecosystem function and sensitive to hydrological dynamics. However, we lack predictable knowledge about how soil microorganisms respond to water table drawdown in different depths. This research used high-throughput sequencing method to determine the responses of prokaryotic communities to the changes of water table and depth on Zoige peatlands. Our results showed that water table drawdown reduced alpha diversity indices (observed species, Shannon diversity and Chao1 richness) of prokaryotic communities...
April 18, 2017: FEMS Microbiology Ecology
https://www.readbyqxmd.com/read/28430854/dynamic-modeling-and-network-approaches-for-omics-time-course-data-overview-of-computational-approaches-and-applications
#13
Yulan Liang, Arpad Kelemen
Inferring networks and dynamics of genes, proteins, cells and other biological entities from high-throughput biological omics data is a central and challenging issue in computational and systems biology. This is essential for understanding the complexity of human health, disease susceptibility and pathogenesis for Predictive, Preventive, Personalized and Participatory (P4) system and precision medicine. The delineation of the possible interactions of all genes/proteins in a genome/proteome is a task for which conventional experimental techniques are ill suited...
April 18, 2017: Briefings in Bioinformatics
https://www.readbyqxmd.com/read/28430495/superstatistical-energy-distributions-of-an-ion-in-an-ultracold-buffer-gas
#14
I Rouse, S Willitsch
An ion in a radio frequency ion trap interacting with a buffer gas of ultracold neutral atoms is a driven dynamical system which has been found to develop a nonthermal energy distribution with a power law tail. The exact analytical form of this distribution is unknown, but has often been represented empirically by q-exponential (Tsallis) functions. Based on the concepts of superstatistics, we introduce a framework for the statistical mechanics of an ion trapped in an rf field subject to collisions with a buffer gas...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430298/an-experimental-numerical-investigation-on-the-effects-of-macroporous-scaffold-geometry-on-cell-culture-parameters
#15
Hadis Eghbali, Michele M Nava, Gabriella Leonardi, Davod Mohebbi-Kalhori, Roberto Sebastiano, Abdolreza Samimi, Manuela T Raimondi
INTRODUCTION: Perfused bioreactors have been demonstrated to be effective in the delivery of nutrients and in the removal of waste products to and from the interior of cell-populated three-dimensional scaffolds. In this paper, a perfused bioreactor hosting a macroporous scaffold provided with a channel is used to investigate transport phenomena and culture parameters on cell growth. METHODS: MG63 human osteosarcoma cells were seeded on macroporous poly​(ε-caprolactone) scaffolds provided with a channel...
April 13, 2017: International Journal of Artificial Organs
https://www.readbyqxmd.com/read/28430270/atomistic-non-adiabatic-dynamics-of-the-lh2-complex-with-a-gpu-accelerated-ab-initio-exciton-model
#16
Aaron Sisto, Clem Stross, Marc W van der Kamp, Michael O'Connor, Simon McIntosh-Smith, Graham T Johnson, Edward G Hohenstein, Fred R Manby, David R Glowacki, Todd J Martinez
We recently outlined an efficient multi-tiered parallel ab initio excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground and excited state energies and gradients of large supramolecular complexes in atomistic detail - enabling us to undertake non-adiabatic simulations which explicitly account for the coupled anharmonic vibrational motion of all the constituent atoms in a supramolecular system. Here we apply that framework to the 27 coupled bacterio-chlorophyll-a chromophores which make up the LH2 complex, using it to compute an on-the-fly nonadiabatic surface-hopping (SH) trajectory of electronically excited LH2...
April 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28430110/viscosity-of-a-sheared-correlated-near-critical-model-fluid-in-confinement
#17
Christian Rohwer, Andrea Gambassi, Matthias Kruger
Second-order phase transitions are characterized by a divergence of the spatial correlation length of the order parameter fluctuations. For confined systems, this is known to lead to remarkable equilibrium physical phenomena, including finite-size effects and critical Casimir forces. We explore here some non-equilibrium aspects of these effects in the stationary state resulting from the action of external forces: by analyzing a model of a correlated fluid under shear, spatially confined by two parallel plates, we study the resulting viscosity within the setting of (Gaussian) Landau-Ginzburg theory...
April 21, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28429500/electrocardiographic-appearance-of-aortic-stenosis-before-and-after-aortic-valve-replacement
#18
Ivana I Vranic
BACKGROUND: So far, the specific appearance of QRS complex, ST-segment, and T wave was observed in aortic stenosis (AS). S-wave dynamic change in leads V1 -V3 was not reported in AS. METHODS: In a single-center, prospective study, we included a total number of 1.175 patients who underwent surgical aortic valve replacement (AVR). We conducted 3-year gathering of patients with symptomatic and asymptomatic severe AS, and separated them by hemodynamic stability into groups A and B, through EFLV (of more or less than 50%), AVA (of more or less than 0...
April 21, 2017: Annals of Noninvasive Electrocardiology
https://www.readbyqxmd.com/read/28429391/technical-note-direct-measurement-of-continuous-tmr-data-with-a-1d-tank-and-automated-couch-movements
#19
Nels C Knutson, Matthew C Schmidt, Matthew D Belley, Ngoc Nguyen, H Harold Li, Erno Sajo, Michael Price
PURPOSE: Real-time dynamic control of the linear accelerator, couch, and imaging parameters during radiation delivery was investigated as a novel technique for acquiring tissue maximum ratio (TMR) data. METHODS: TrueBeam Developer Mode (Varian Medical Systems, Palo Alto, CA) was used to control the linear accelerator using the Extensible Markup Language (XML). A single XML file was used to dynamically manipulate the machine, couch, and imaging parameters during radiation delivery...
April 21, 2017: Medical Physics
https://www.readbyqxmd.com/read/28429371/design-of-a-short-non-uniform-acquisition-protocol-for-quantitative-analysis-in-dynamic-cardiac-spect-imaging-a-retrospective-123-i-mibg-animal-study
#20
Yunlong Zan, Yong Long, Kewei Chen, Biao Li, Qiu Huang, Grant T Gullberg
PURPOSE: Our previous works have found that quantitative analysis of (123) I-MIBG kinetics in the heart with dynamic single-photon emission computed tomography (SPECT) offers the potential to quantify the innervation integrity at an early stage of left ventricular hypertrophy. However, conventional protocols involving a long acquisition time for dynamic imaging reduce the animal survival rate and thus make longitudinal analysis difficult. The goal of this work was to develop a procedure to reduce the total acquisition time by selecting non-uniform acquisition times for projection views while maintaining the accuracy and precision of estimated physiologic parameters...
April 21, 2017: Medical Physics
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