Read by QxMD icon Read


Guang-Hui Ma, Yan Ye, Dan Zhang, Xin Xu, Pei Si, Jian-Long Peng, Yong-Long Xiao, Rui-Yuan Cao, Yu-Ling Yin, Jing Chen, Lin-Xiang Zhao, Yu Zhou, Wu Zhong, Hong Liu, Xiao-Min Luo, Li-Li Chen, Xu Shen
Hand, foot and mouth disease (HFMD) is a serious, highly contagious disease. HFMD caused by Enterovirus 71 (EV71), results in severe complications and even death. The pivotal role of EV71 3C(pro) in the viral life cycle makes it an attractive target for drug discovery and development to treat HFMD. In this study, we identified novel EV71 3C(pro) inhibitors by docking-based virtual screening. Totally 50 compounds were selected to test their inhibitory activity against EV71 3C(pro). The best inhibitor DC07090 exhibited the inhibition potency with an IC50 value of 21...
October 11, 2016: European Journal of Medicinal Chemistry
Iuliana Aprodu, Florentina-Mihaela Ursache, Mihaela Turturică, Gabriela Râpeanu, Nicoleta Stănciuc
Sea buckthorn has gained importance as a versatile nutraceutical, due to its high nutritive value in terms of carotenoids content. β-Lactoglobulin (β-LG) is a natural carrier for various bioactive compounds. In this study, the effect of thermal treatment in the temperature range of 25 to 100°C for 15min on the complex formed by β-LG and carotenoids from sea buckthorn was reported, based on fluorescence spectroscopy, molecular docking and molecular dynamics simulation results. Also, the berries extracts were analyzed for their carotenoids content...
October 17, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Shaw D Bamber, Stig Westerlund
Sub-sea geological storage of carbon dioxide (CO2) provides a viable option for the Carbon Capture and Storage (CCS) approach for reducing atmospheric emissions of this greenhouse gas. Although generally considered to offer a low risk of major leakage, it remains relevant to establish the possible consequences for marine organisms that live in or on sediments overlying these storage areas if such an event may occur. The present study has used a series of laboratory exposures and behavioral bioassays to establish the sensitivity of Arctica islandica to simulated leakages of CO2...
October 11, 2016: Aquatic Toxicology
Money Gupta, Rashi Chauhan, Yamuna Prasad, Gulshan Wadhwa, Chakresh Kumar Jain
The lack of complete treatments and appearance of multiple drug-resistance strains of Burkholderia cepacia complex (Bcc) are causing an increased risk of lung infections in cystic fibrosis patients. Bcc infection is a big risk to human health and demands an urgent need to identify new therapeutics against these bacteria. Network biology has emerged as one of the prospective hope in identifying novel drug targets and hits. We have applied protein-protein interaction methodology to identify new drug-target candidates (orthologs) in Burkhloderia cepacia GG4, which is an important strain for studying the quorum-sensing phenomena...
October 8, 2016: Computational Biology and Chemistry
Catarina I A Ferreira, Vânia Calisto, Marta Otero, Helena Nadais, Valdemar I Esteves
Tricaine methanesulfonate (MS-222) has been widely used in intensive aquaculture systems to control stress during handling and confinement operations. This compound is dissolved in the water tanks and, once it is present in the Recirculating Aquaculture Systems (RASs), MS-222 can reach the environment by the discharge of contaminated effluents. The present work proposes the implementation of the adsorption process in the RASs, using pyrolysed biological paper mill sludge as adsorbent, to remove MS-222 from aquaculture wastewater...
October 21, 2016: Chemosphere
Jessica A Nash, Albert L Kwansa, James Samuel Peerless, Ho Shin Kim, Yaroslava G Yingling
Nanoparticles (NPs) play increasingly important roles in nanotechnology and nanomedicine where nanoparticle surface chemistry allows for control over interactions with other nanoparticles and biomolecules. In particular, for applications in drug and gene delivery, a fundamental understanding of the NP-nucleic acid interface allows for development of more efficient and effective nanoparticle carriers. Computational modeling can provide insights of processes occurring at the inorganic NP-nucleic interface, in detail which is difficult to access by experimental methods...
October 24, 2016: Bioconjugate Chemistry
Florent Xavier Smit, Jurriaan A Luiken, Peter G Bolhuis
We performed replica exchange molecular dynamics and forward flux sampling simulations of hexapeptide VQIINK and VQIVYK systems, also known as, respectively, fragments PHF6* and PHF6 from tau protein. Part of the microtubule binding region, these fragments are known to be aggregation prone, and at least one of them is a prerequisite for fibril formation of the tau protein. Using a coarse-grained force field, we establish the phase behavior of both fragments, and investigate the nucleation kinetics for the conversion into a β-sheet fibril...
October 24, 2016: Journal of Physical Chemistry. B
Cristian Torres-Díaz, Jorge Gallardo-Cerda, Paris Lavin, Rómulo Oses, Fernando Carrasco-Urra, Cristian Atala, Ian S Acuña-Rodríguez, Peter Convey, Marco A Molina-Montenegro
Most climate and environmental change models predict significant increases in temperature and precipitation by the end of the 21st Century, for which the current functional output of certain symbioses may also be altered. In this context we address the following questions: 1) How the expected changes in abiotic factors (temperature, and water) differentially affect the ecophysiological performance of the plant Colobanthus quitensis? and 2) Will this environmental change indirectly affect C. quitensis photochemical performance and biomass accumulation by modifying its association with fungal endophytes? Plants of C...
2016: PloS One
Amy B Wilfert, Katherine R Chao, Madhurima Kaushal, Sanjay Jain, Sebastian Zöllner, David R Adams, Donald F Conrad
Standard techniques from genetic epidemiology are ill-suited to formally assess the significance of variants identified from a single case. We developed a statistical inference framework for identifying unusual functional variation from a single exome or genome, what we refer to as the 'n-of-one' problem. Using this approach we assessed our ability to identify the causal genotypes in over 5 million simulated cases of Mendelian disease, identifying 39% of disease genotypes as the most damaging unit in a typical exome background...
October 24, 2016: Nature Genetics
Milly Marston, Jessica Nakiyingi-Miiro, Sylvia Kusemererwa, Mark Urassa, Denna Michael, Constance Nyamukapa, Simon Gregson, Basia Zaba, Jeffrey W Eaton
OBJECTIVES: To estimate the relationship between HIV natural history and fertility by duration of infection in East and Southern Africa before the availability of antiretroviral therapy, and assess potential biases in estimates of age-specific sub-fertility when using retrospective birth histories in cross-sectional studies. DESIGN: Pooled analysis of prospective population-based HIV cohort studies in Masaka (Uganda) Kisesa (Tanzania), and Manicaland (Zimbabwe)...
October 20, 2016: AIDS
Erin Grgurich, Cynthia Arnemann, Kim Amon, Rose Horton, Jestin N Carlson
As neonatal endotracheal intubation (ETI) is a low-frequency, high-consequence event, it is essential that providers have access to resources to aid in ETI. We sought to determine the impact of video laryngoscopy (VL) with just-in-time training on intubation outcomes over direct laryngoscopy (DL) when performed by neonatal nurses. We conducted a prospective, randomized, crossover study with neonatal nurses employed at a level 2 neonatal intensive care unit (NICU). Nurses performed both DL and VL on a neonatal mannequin using a CMAC (Karl Storz Corp, Tuttlingen, Germany) either with the assistance of the screen (VL) or without (DL)...
October 2016: Journal of Perinatal & Neonatal Nursing
Amir Zahir, Chesahna Kindred, Brunhilde Blömeke, Carsten Goebel, Anthony A Gaspari
BACKGROUND: Allergic contact dermatitis after exposure to p-phenylenediamine (PPD)-containing hair dye products is a common and important clinical problem. Because there is a high rate of cross-elicitation of allergic contact dermatitis to other important hair dye products (such as p-toluene diamine and other aminophenol hair dyes) in PPD-allergic patients, safer alternative dyes with excellent hair coloring options are needed. OBJECTIVE: This study aimed to study tolerance to Me-PPD in a PPD-allergic cohort...
October 21, 2016: Dermatitis
Xinyao Ji, Dylan S Small, Charles E Leonard, Sean Hennessy
Cohort studies can be biased by unmeasured confounding. We propose a hybrid ecologic-epidemiologic design called the trend-in-trend design, which requires a strong time-trend in exposure, but is unbiased unless there are unmeasured factors affecting outcome for which there are time-trends in prevalence that are correlated with time-trends in exposure across strata with different exposure trends. Thus, the conditions under which the trend-in-trend study is biased are a subset of those under which a cohort study is biased...
October 20, 2016: Epidemiology
Matthias Kohl, Andreas Härtel, Michael Schmiedeberg
The slow dynamics in a glassy hard-sphere system is dominated by cage breaking events, i.e. rearrangements where a particle escapes from the cage formed by its neighboring particles. We study such events for an overdamped colloidal system by the means of Brownian dynamics simulations. While it is difficult to relate cage breaking events to structural mean field results in bulk, we show that the microscopic dynamics of particles close to a wall can be related to the anisotropic two-particle density. In particular, we study cage-breaking trajectories, mean forces on a tracked particle, and the impact of the history of trajectories...
October 24, 2016: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Kaien Liu, Zhijian Ji, Wei Ren
The consensus problem for second-order multiagent systems with absolute velocity damping under directed topologies is investigated. In contrast to the existing results, which rely on a sufficiently large common absolute velocity damping gain above a lower bound dependent on global information, this paper focuses on novel algorithms to overcome this limitation. A novel consensus algorithm, where different agents use different absolute velocity damping gains, is first proposed. In the absence of delays, based on a system transformation method, the consensus problem for second-order multiagent systems is converted into that for first-order multiagent systems with the agent number doubled...
October 21, 2016: IEEE Transactions on Cybernetics
Alvaro G Perez, Daniel Lobo, Francesco Chinello, Gabriel Cirio, Monica Malvezzi, Jose San Martin, Domenico Prattichizzo, Miguel A Otaduy
Novel wearable tactile interfaces offer the possibility to simulate tactile interactions with virtual environments directly on our skin. But, unlike kinesthetic interfaces, for which haptic rendering is a well explored problem, they pose new questions about the formulation of the rendering problem. In this work, we propose a formulation of tactile rendering as an optimization problem, which is general for a large family of tactile interfaces. Based on an accurate simulation of contact between a finger model and the virtual environment, we pose tactile rendering as the optimization of the device configuration, such that the contact surface between the device and the actual finger matches as close as possible the contact surface in the virtual environment...
October 20, 2016: IEEE Transactions on Haptics
Pavel B Rosnitskiy, P V Yuldashev, Oleg A Sapozhnikov, Adam Maxwell, Wayne Kreider, Michael R Bailey, Vera A Khokhlova
Various clinical applications of high intensity focused ultrasound (HIFU) have different requirements for the pressure levels and degree of nonlinear waveform distortion at the focus. The goal of this work was to determine transducer design parameters that produce either a specified shock amplitude in the focal waveform or specified peak pressures while still maintaining quasilinear conditions at the focus. Multiparametric nonlinear modeling based on the KZK equation with an equivalent source boundary condition was employed...
October 20, 2016: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
Deb P Jaisi, Hui Li, Adam F Wallace, Prajwal Paudel, Mingjing Sun, Avula Balakrishna, Bob N Lerch
Degradation of glyphosate in the presence of Mn oxide and UV light was analyzed using phosphate oxygen isotope ratios and density function theory (DFT). Preference of C-P or C-N bond cleavage was found to vary with changing glyphosate:Mn oxide ratios indicating the potential role of sorption-induced conformational changes on the composition of intermediate degradation products. Isotope data confirmed that one oxygen atom derived solely from water was incorporated into the released phosphate during glyphosate degradation and this might suggest similar nucleophilic substitution at P centers and C-P bond cleavage both in Mn oxide- and UV light-mediated degradation...
October 24, 2016: Journal of Agricultural and Food Chemistry
Sergey V Malov, Alexey Antonik, Minzhong Tang, Alexandre Berred, Yi Zeng, Stephen J O'Brien
A new approach for statistical association signal identification is developed in this paper. We consider a strategy for nonprecise signal identification by extending the well-known signal detection and signal identification methods applicable to the multiple testing problem. Collection of statistical instruments under the presented approach is much broader than under the traditional signal identification methods, allowing more efficient signal discovery. Further assessments of maximal value and average statistics in signal discovery are improved...
October 24, 2016: Biometrical Journal. Biometrische Zeitschrift
Pradeep Mugunthan, Kevin T Russell, Binglei Gong, Michael J Riley, Arthur Chin, Blair G McDonald, Linda J Eastcott
There is an identified need for fully representing groundwater-surface water transition zone (i.e., the sediment zone that connects groundwater and surface water) processes in modeling fate and transport of contaminants to assist with management of contaminated sediments. Most existing groundwater and surface water fate and transport models are not dynamically linked and do not consider transition zone processes such as bioturbation and deposition and erosion of sediments. An interface module is developed herein to holistically simulate the fate and transport by coupling two commonly used models, Environmental Fluid Dynamics Code (EFDC) and SEAWAT, to simulate surface water and groundwater hydrodynamics, while providing an enhanced representation of the processes in the transition zone...
October 24, 2016: Ground Water
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"