keyword
MENU ▼
Read by QxMD icon Read
search

Systems Dynamics

keyword
https://www.readbyqxmd.com/read/28320127/measurement-properties-of-a-new-wireless-electrogoniometer-for-quantifying-spasticity-during-the-pendulum-test-in-arsacs-patients
#1
Hung Tien Bui, Cynthia Gagnon, Olivier Audet, Jean Mathieu, Mario Leone
INTRODUCTION: Autosomal recessive spastic ataxia of Charlevoix/Saguenay (ARSACS) is a neuromuscular disorder that induces spasticity in lower limbs. The Wartenberg pendulum test is a classical method of assessing lower limb spasticity based on the dynamics of the pendular leg motion. However, in its original form, this test only provides subjective results and do not allow accurate assessment of spasticity. METHODS: Thirteen ARSACS patients were assessed using a new wireless electrogoniometer to measure spasticity by quantifying oscillation amplitudes and relaxation indices during the Wartenburg pendulum test...
April 15, 2017: Journal of the Neurological Sciences
https://www.readbyqxmd.com/read/28319899/molecular-imprinting-sensor-based-on-quantum-weak-measurement
#2
Dongmei Li, Qinghua He, Yonghong He, Meiguo Xin, Yilong Zhang, Zhiyuan Shen
A new type of sensing protocol, based on a high precision metrology of quantum weak measurement, was first proposed for molecularly imprinted polymers (MIP) sensor. The feasibility, sensitivity and selectivity of weak measurement based MIP (WMMIP) sensor were experimentally demonstrated with bovine serum albumin (BSA). Weak measurement system exhibits high sensitivity to the optical phase shift corresponding to the refractive index change, which is induced by the specific capture of target protein molecules with its recognition sites...
March 10, 2017: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/28319716/multiple-stressors-in-sediments-impact-adjacent-hard-substrate-habitats-and-across-biological-domains
#3
Jasmin C Lawes, Katherine A Dafforn, Graeme F Clark, Mark V Brown, Emma L Johnston
Coastal systems are increasingly impacted by human activities. While the direct effects of individual contaminants have been investigated, the potential for multiple contaminants to impact adjacent hard substrate habitats is poorly understood. Sediment-bound contaminants pose a risk to water column organisms through resuspension and the fluxing of dissolved nutrients and metals. This study experimentally manipulated contaminated coastal sediments in mesocosms with additions of a common fertiliser to investigate the impact on both bacterial biofilms and macrofouling communities on nearby hard substrates...
March 16, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28319669/cell-adhesion-on-dynamic-supramolecular-surfaces-probed-by-fluid-force-microscopy-based-single-cell-force-spectroscopy
#4
Shrikrishnan Sankaran, Leena Jaatinen, Jenny Brinkmann, Tomaso Zambelli, Janos Vörös, Pascal Jonkheijm
Biomimetic and stimuli-responsive cell-material interfaces are actively being developed to study and control various cell-dynamics phenomena. Since cells naturally reside in the highly dynamic and complex environment of the extracellular matrix, attempts are being made to replicate these conditions in synthetic biomaterials. Supramolecular chemistry, dealing with non-covalent interactions, has recently provided possibilities to incorporate such dynamicity and responsiveness in various types of architectures...
March 20, 2017: ACS Nano
https://www.readbyqxmd.com/read/28319659/improving-computational-predictions-of-single-stranded-rna-tetramers-with-revised-%C3%AE-%C3%AE-torsional-parameters-for-the-amber-force-field
#5
David J Wales, Ilyas Yildirim
With current advancements in RNA based therapeutics, it is becoming crucial to utilize theoretical and computational methods to describe properly the physical properties of RNA molecules. NMR and X-ray crystallography are two powerful techniques for investigating structural properties. However, if the RNA molecules are complex or dynamic, these methods might not be adequate. For computational approaches, the quality of the force field will determine accuracy of our predictions. In this contribution, we revise the α/γ torsional parameters of RNA for amber force field using a model system representing an RNA dimer backbone...
March 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28319399/monitoring-photochemical-reactions-using-marangoni-flows
#6
Joost Muller, Hubertus M J M Wedershoven, Anton A Darhuber
We evaluated the sensitivity and time-resolution of a technique for photochemical reaction monitoring based on interferometric detection of the deformation of liquid films. The reaction products change the local surface tension and induce a Marangoni flow in the liquid film. As a model system, we consider the irradiation of the aliphatic hydrocarbon squalane with broadband deep-UV light. We developed a numerical model that quantitatively reproduces the flow patterns observed in the experiments. Moreover, we present self-similarity solutions that elucidate the mechanisms governing different stages of the dynamics and their parametric dependence...
March 20, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28319395/spreading-kinetics-of-ultra-thin-liquid-films-using-molecular-dynamics
#7
Brooklyn Ann Noble, C Mathew Mate, Bart Raeymaekers
Ultra-thin liquid films play a critical role in numerous engineering applications. Although crucial to the design and application of ultra-thin liquid films, the physical mechanisms that govern spreading on the molecular scale are not well-understood, and disagreement among experiments, simulations, and theory remains. We use molecular dynamics simulations to quantify the speed at which the edge of a polymer droplet advances on a flat substrate as a function of various environmental and design parameters. We explain the physical mechanisms that drive and inhibit spreading, identify different spreading regimes, and clarify transitions between spreading regimes...
March 20, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28319376/anomalous-protein-protein-interactions-in-multivalent-salt-solution
#8
Coralie Pasquier, Mario Vazdar, Jan Forsman, Pavel Jungwirth, Mikael Lund
The stability of aqueous protein solutions is strongly affected by multivalent ions, which induce ion-ion correlations beyond the scope of classical mean-field theory. Using all-atom Molecular Dynamics (MD) and coarse grained Monte Carlo (MC) simulations, we investigate the interaction between a pair of protein molecules in 3:1 electrolyte solution. In agreement with available experimental findings of "reentrant protein condensation", we observe an anomalous trend in the protein-protein potential of mean force with increasing electrolyte concentration in the order: (i) double-layer repulsion, (ii) ion-ion correlation attraction, (iii) over-charge repulsion, and in excess of 1:1 salt, (iv) non Coulombic attraction...
March 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28319296/joint-effects-of-climate-variability-and-socio-ecological-factors-on-dengue-transmission-epidemiological-evidence
#9
REVIEW
Rokeya Akter, Wenbiao Hu, Suchithra Naish, Shahera Banu, Shilu Tong
OBJECTIVE: To assess the epidemiological evidence on the joint effects of climate variability and socio-ecological factors on dengue transmission. METHODS: Following PRISMA guidelines, a detailed literature search was conducted in PubMed, Web of Science and Scopus. Peer-reviewed, freely available and full text articles, considering both climate and socio-ecological factors in relation to dengue, published in English from January 1993 to October 2015 were included in this review...
March 20, 2017: Tropical Medicine & International Health: TM & IH
https://www.readbyqxmd.com/read/28319293/bis-gadolinium-complexes-for-solid-effect-and-cross-effect-dynamic-nuclear-polarization
#10
Monu Kaushik, Mian Qi, Adelheid Godt, Björn Corzilius
High-spin complexes act as polarizing agents (PAs) for dynamic nuclear polarization (DNP) in solid-state NMR spectroscopy and feature promising aspects towards biomolecular DNP. We present a study on bis(Gd-chelate)s which enable cross effect (CE) DNP owing to spatial confinement of two dipolar-coupled electron spins. Their well-defined Gd⋅⋅⋅Gd distances in the range of 1.2-3.4 nm allowed us to elucidate the Gd⋅⋅⋅Gd distance dependence of the DNP mechanism and NMR signal enhancement. We found that Gd⋅⋅⋅Gd distances above 2...
March 20, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28319203/relationship-between-low-tube-voltage-70-kv-and-the-iodine-delivery-rate-idr-in-ct-angiography-an-experimental-in-vivo-study
#11
Michael M Lell, Ulrike Fleischmann, Hubertus Pietsch, Johannes G Korporaal, Ulrike Haberland, Andreas H Mahnken, Thomas G Flohr, Michael Uder, Gregor Jost
OBJECTIVE: Very short acquisition times and the use of low-kV protocols in CTA demand modifications in the contrast media (CM) injection regimen. The aim of this study was to optimize the use of CM delivery parameters in thoraco-abdominal CTA in a porcine model. MATERIALS AND METHODS: Six pigs (55-68 kg) were examined with a dynamic CTA protocol (454 mm scan length, 2.5 s temporal resolution, 70 s total acquisition time). Four CM injection protocols were applied in a randomized order...
2017: PloS One
https://www.readbyqxmd.com/read/28319119/evaluating-the-combined-effects-of-ballast-water-management-and-trade-dynamics-on-transfers-of-marine-organisms-by-ships
#12
Katharine J Carney, Mark S Minton, Kimberly K Holzer, A Whitman Miller, Linda D McCann, Gregory M Ruiz
Global trade by merchant ships is a leading mechanism for the unintentional transfer of marine organisms, including non-indigenous species, to bays and estuaries worldwide. To reduce the likelihood of new invasions, ships are increasingly being required to manage their ballast water (BW) prior to discharge in coastal waters. In the United States, most overseas arrivals have been required to manage BW discharge since 2004, primarily through ballast water exchange (BWE), which flushes out ballast tanks in the open ocean (>200 miles from shore)...
2017: PloS One
https://www.readbyqxmd.com/read/28319032/binary-neutron-star-mergers-a-review-of-einstein-s-richest-laboratory
#13
Luca Baiotti, Luciano Rezzolla
The merger of binary neutron-stars systems combines in a single process: extreme gravity, copious emission of gravitational waves, complex microphysics, and electromagnetic processes that can lead to astrophysical signatures observable at the largest redshifts. We review here the recent progress in understanding what could be considered Einstein's richest laboratory, highlighting in particular the numerous significant advances of the last decade. Although special attention is paid to the status of models, techniques, and results for fully general-relativistic dynamical simulations, a review is also offered on initial data and advanced simulations with approximate treatments of gravity...
March 20, 2017: Reports on Progress in Physics
https://www.readbyqxmd.com/read/28318906/analysis-of-molecular-mechanisms-of-atp-synthesis-from-the-standpoint-of-the-principle-of-electrical-neutrality
#14
REVIEW
Sunil Nath
Theories of biological energy coupling in oxidative phosphorylation (OX PHOS) and photophosphorylation (PHOTO PHOS) are reviewed and applied to ATP synthesis by an experimental system containing purified ATP synthase reconstituted into liposomes. The theories are critically evaluated from the standpoint of the principle of electrical neutrality. It is shown that the obligatory requirement to maintain overall electroneutrality of bulk aqueous phases imposes strong constraints on possible theories of energy coupling and molecular mechanisms of ATP synthesis...
March 8, 2017: Biophysical Chemistry
https://www.readbyqxmd.com/read/28318698/stochastic-modeling-of-phosphorus-transport-in-the-three-gorges-reservoir-by-incorporating-variability-associated-with-the-phosphorus-partition-coefficient
#15
Lei Huang, Hongwei Fang, Xingya Xu, Guojian He, Xuesong Zhang, Danny Reible
Phosphorus (P) fate and transport plays a crucial role in the ecology of rivers and reservoirs in which eutrophication is limited by P. A key uncertainty in models used to help manage P in such systems is the partitioning of P to suspended and bed sediments. By analyzing data from field and laboratory experiments, we stochastically characterize the variability of the partition coefficient (Kd) and derive spatio-temporal solutions for P transport in the Three Gorges Reservoir (TGR). We formulate a set of stochastic partial different equations (SPDEs) to simulate P transport by randomly sampling Kd from the measured distributions, to obtain statistical descriptions of the P concentration and retention in the TGR...
March 16, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28318258/molecular-dynamics-studies-on-liquid-vapor-interface-properties-and-structures-of-1-ethyl-3-methylimidazolium-dimethylphosphate-water
#16
Tianyu Li, Zongchang Zhao, Xiaodong Zhang, Xican Sun
1-ethyl-3-methylimidazolium dimethylphosphate ([Emim][Dmp])-water binary solution is one of the promising new working-pairs for absorption heat pump and absorption chillers, which are widely used to recover industrial waste heat. In the absorption process, the mass and heat transfer at the interface greatly depend on interface microscopes structure. Therefore, in order to understand the absorption process, it is very important to study the interface microscopes structure. The liquid-vapor interface properties, as well as the orientation of [Emim]+, [Dmp]-, water at the interface and its aqueous solution with different water mole fraction, were studied using classical all-atom force field by molecular dynamic simulations...
March 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28318252/molecular-dynamics-in-mixed-solvents-reveals-protein-ligand-interactions-improves-docking-and-allows-accurate-binding-free-energy-predictions
#17
Juan Pablo Arcon, Lucas A Alfredo Defelipe, Carlos Pablo Modenutti, Elias Daniel Lopez, Daniel Alvarez-Garcia, Xavier Barril, Adrian Gustavo Turjanski, Marcelo A Marti
One of the most important biological processes at the molecular level is the formation of protein-ligand complexes. Therefore, determining their structure and underlying key interactions is of paramount relevance and has direct applications in drug development. Due to its low cost relative to its experimental sibling, Molecular Dynamics (MD) simulations in the presence of different solvent probes mimicking specific type of interactions have been increasingly used to analyze protein binding sites and reveal protein-ligand interaction hot spots...
March 20, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28318251/molecular-simulation-studies-on-the-binding-selectivity-of-type-i-inhibitors-in-the-complexes-with-ros1-versus-alk
#18
Yuanxin Tian, Yonghuan Yu, Yudong Shen, Hua Wan, Shan Chang, Tingting Zhang, Shanhe Wan, Jiajie Zhang
ROS1 and ALK are promising targets of anti-cancer drugs for non small cell lung cancer. Since they have 49% amide acid sequence homology in the kinases domain and 77% identity at the ATP binding area, some ALK inhibitors also showed some significant responses for ROS1 in the clinical trial, such as the type-I binding inhibitor crizotinib and PF-06463922. As a newly therapeutic target, selective ROS1 inhibitor is relative rarely. Moreover, the molecular basis for the selectivity of ROS1 versus ALK still remains unclear...
March 20, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28317993/capturing-the-multiscale-dynamics-of-membrane-protein-complexes-with-all-atom-mixed-resolution-and-coarse-grained-models
#19
Chenyi Liao, Xiaochuan Zhao, Jiyuan Liu, Severin T Schneebeli, John C Shelley, Jianing Li
The structures and dynamics of protein complexes are often challenging to model in heterogeneous environments such as biological membranes. Herein, we meet this fundamental challenge at attainable cost with all-atom, mixed-resolution, and coarse-grained models of vital membrane proteins. We systematically simulated five complex models formed by two distinct G protein-coupled receptors (GPCRs) in the lipid-bilayer membrane on the ns-to-μs timescales. These models, which suggest the swinging motion of an intracellular loop, for the first time, provide the molecular details for the regulatory role of such a loop...
March 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28317970/rheological-and-dynamic-insights-into-an-in-situ-reactive-interphase-with-graft-copolymers-in-multilayered-polymer-systems
#20
Bo Lu, Khalid Lamnawar, Abderrahim Maazouz
We provide rheological and dynamic insights into the role of an in situ reactive interphase with graft copolymers in multilayered polymer systems, using a polyamide-6 (PA6)/maleic anhydride grafted poly(vinylidene fluoride) (PVDF-g-MAH) bilayer as a model. Firstly, the influence of the reactive interphase on macroscopic melt flow behavior was studied. The in situ generated interphase from coupling reactions in bilayers significantly contributed to overall viscoelastic responses in both linear and nonlinear regimes...
March 20, 2017: Soft Matter
keyword
keyword
67161
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"