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https://www.readbyqxmd.com/read/29166729/-use-dependence-and-reverse-use-dependence-of-antiarrhythmic-drugs
#1
W P Zhao, Y Gao, T Liu
No abstract text is available yet for this article.
November 24, 2017: Zhonghua Xin Xue Guan Bing za Zhi
https://www.readbyqxmd.com/read/29166663/a-general-model-for-predicting-the-binding-affinity-of-reversibly-and-irreversibly-dimerized-ligands
#2
Kenneth W Foreman
Empirical data has shown that bivalent inhibitors can bind a given target protein significantly better than their monomeric counterparts. However, predicting the corresponding theoretical fold improvements has been challenging. The current work builds off the reacted-site probability approach to provide a straightforward baseline reference model for predicting fold-improvements in effective affinity of dimerized ligands over their monomeric counterparts. For the more familiar irreversibly linked bivalents, the model predicts a weak dependence on tether length and a scaling of the effective affinity with the 3/2 power of the monomer's affinity...
2017: PloS One
https://www.readbyqxmd.com/read/29166621/lifestyle-transitions-and-adaptive-pathogenesis-of-pseudomonas-aeruginosa
#3
REVIEW
Martina Valentini, Diego Gonzalez, Despoina Ai Mavridou, Alain Filloux
Pseudomonas aeruginosa acute and chronic infections are of great concern to human health, especially in hospital settings. It is currently assumed that P. aeruginosa has two antagonistic pathogenic strategies that parallel two different lifestyles; free-living cells are predominantly cytotoxic and induce an acute inflammatory reaction, while biofilm-forming communities cause refractory chronic infections. Recent findings suggest that the planktonic-to-sessile transition is a complex, reversible and overall dynamic differentiation process...
November 18, 2017: Current Opinion in Microbiology
https://www.readbyqxmd.com/read/29166565/hospital-based-physicians-intubation-decisions-and-associated-mental-models-when-managing-a-critically-and-terminally-ill-older-patient
#4
Shannon Haliko, Julie Downs, Deepika Mohan, Robert Arnold, Amber E Barnato
BACKGROUND: Variation in the intensity of acute care treatment at the end of life is influenced more strongly by hospital and provider characteristics than patient preferences. OBJECTIVE: We sought to describe physicians' mental models (i.e., thought processes) when encountering a simulated critically and terminally ill older patient, and to compare those models based on whether their treatment plan was patient preference-concordant or preference-discordant. METHODS: Seventy-three hospital-based physicians from 3 academic medical centers engaged in a simulated patient encounter and completed a mental model interview while watching the video recording of their encounter...
November 1, 2017: Medical Decision Making: An International Journal of the Society for Medical Decision Making
https://www.readbyqxmd.com/read/29166564/optical-control-of-dopamine-receptors-using-a-photoswitchable-tethered-inverse-agonist
#5
Prashant Donthamsetti, Nils Winter, Matthias Schönberger, Joshua Levitz, Cherise Stanley, Jonathan A Javitch, Ehud Y Isacoff, Dirk Trauner
Family A G protein-coupled receptors (GPCRs) control diverse biological processes and are of great clinical relevance. Their archetype rhodopsin becomes naturally light sensitive by binding covalently to the photoswitchable tethered ligand (PTL) retinal. Other GPCRs, however, neither bind covalently to ligands nor are light sensitive. We sought to impart the logic of rhodopsin to light-insensitive Family A GPCRs in order to enable their remote control in a receptor-specific, cell-type-specific and spatio-temporally precise manner...
November 22, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29166407/executive-function-assessment-in-new-zealand-2-year-olds-born-at-risk-of-neonatal-hypoglycemia
#6
Judith M Ansell, Trecia A Wouldes, Jane E Harding
A growing number of babies are born with perinatal risk factors that may impair later development. These children are often assessed at 2 years to help predict outcome and direct support services. Executive function is an important predictor of academic achievement and behavior, but there are limited assessments of executive function in 2-year-olds and few have been tested in at-risk populations. Therefore, we developed a battery of four age-appropriate tasks to assess executive function in 2-year-olds. At 24 months' corrected age 368 children completed tasks assessing attention, inhibition, working memory and cognitive flexibility...
2017: PloS One
https://www.readbyqxmd.com/read/29166374/5-aza-2-deoxycytidine-a-dna-methylation-inhibitor-attenuates-hyperoxia-induced-lung-fibrosis-via-re-expression-of-p16-in-neonatal-rats
#7
Shi-Meng Zhao, Hong-Min Wu, Mei-Ling Cao, Dan Han
BACKGROUD: P16 methylation plays an important role in the pathogenesis of hyperoxia-induced lung fibrosis. 5-aza-2'-deoxycytidine (5-aza-CdR) is a major methyltransferase-specific inhibitor. In this study, the effects of 5-aza-CdR on a hyperoxia-induced lung fibrosis in neonatal rats were investigated. METHODS: Rat pups were exposed to 21d of 85% O2 and received intraperitoneal injections of 5-aza-CdR or normal saline (NS) once every other day. Survival rates and lung coefficients were calculated...
November 22, 2017: Pediatric Research
https://www.readbyqxmd.com/read/29166320/exercise-alters-gut-microbiota-composition-and-function-in-lean-and-obese-humans
#8
Jacob M Allen, Lucy J Mailing, Grace M Niemiro, Rachel Moore, Mark D Cook, Bryan A White, Hannah D Holscher, Jeffrey A Woods
PURPOSE: Exercise is associated with altered gut microbial composition, but studies have not investigated whether the gut microbiota and associated metabolites are modulated by exercise training in humans. We explored the impact of six weeks of endurance exercise on the composition, functional capacity, and metabolic output of the gut microbiota in lean and obese adults with multiple-day dietary controls prior to outcome variable collection. METHODS: Thirty-two lean (n=18 [9 female]) and obese (n=14 [11 female]), previously sedentary subjects participated in six weeks of supervised, endurance-based exercise training (3 days/wk) that progressed from 30 to 60 minutes/day and from moderate (60% of heart rate reserve [HRR]) to vigorous intensity (75% HRR)...
November 20, 2017: Medicine and Science in Sports and Exercise
https://www.readbyqxmd.com/read/29166162/stochastic-evolutionary-demography-under-a-fluctuating-optimum-phenotype
#9
Luis-Miguel Chevin, Olivier Cotto, Jaime Ashander
Many natural populations exhibit temporal fluctuations in abundance that are consistent with external forcing by a randomly changing environment. As fitness emerges from an interaction between the phenotype and the environment, such demographic fluctuations probably include a substantial contribution from fluctuating phenotypic selection. We study the stochastic population dynamics of a population exposed to random (plus possibly directional) changes in the optimum phenotype for a quantitative trait that evolves in response to this moving optimum...
December 2017: American Naturalist
https://www.readbyqxmd.com/read/29166106/nodeless-vibrational-amplitudes-and-quantum-nonadiabatic-dynamics-in-the-nested-funnel-for-a-pseudo-jahn-teller-molecule-or-homodimer
#10
William K Peters, Vivek Tiwari, David M Jonas
The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166081/three-sources-of-errors-in-the-ehrenfest-treatment-of-inelastic-scattering-and-possible-ways-of-resolving-them
#11
Alexander Semenov, Dmitri Babikov
In order to identify the origin of possible errors in the mixed quantum/classical approach to inelastic scattering [A. Semenov and D. Babikov, J. Chem. Phys. 140, 044306 (2014) and A. Semenov, M.-L. Dubernet, and D. Babikov, J. Chem. Phys. 141, 114304 (2014)], a simplified model is considered that consists of one intermolecular degree of freedom and two intramolecular states, coupled by a simple potential. For this system, analytic derivations are carried out to determine (i) the exact quantum mechanical solution of the inelastic scattering problem, (ii) a simplified version of it with all oscillatory terms neglected, and (iii) the Ehrenfest solution in which the translational motion is described by the mean-field trajectory while the internal molecular motion is treated by the time-dependent Schrodinger equation...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166075/a-detailed-balance-model-for-thermionic-emission-from-polyanions-the-case-of-fullerene-dianions
#12
Bruno Concina, Franck Lépine, Christian Bordas
A detailed-balance model for thermionic emission from polyanions has been developed and applied to fullerene dianions. The specificity of this delayed decay process is electron tunneling through the repulsive Coulomb barrier (RCB). An analytical expression of the RCB is derived from electrostatic modeling of the fullerene cage. The reverse process, namely, electron attachment to the singly charged anion, is described by a hard sphere cross section weighted by the Wentzel-Kramers-Brillouin tunneling probability...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166063/hard-hard-coupling-assisted-anomalous-magnetoresistance-effect-in-amine-ended-single-molecule-magnetic-junction
#13
Y-H Tang, C-J Lin, K-R Chiang
We proposed a single-molecule magnetic junction (SMMJ), composed of a dissociated amine-ended benzene sandwiched between two Co tip-like nanowires. To better simulate the break junction technique for real SMMJs, the first-principles calculation associated with the hard-hard coupling between a amine-linker and Co tip-atom is carried out for SMMJs with mechanical strain and under an external bias. We predict an anomalous magnetoresistance (MR) effect, including strain-induced sign reversal and bias-induced enhancement of the MR value, which is in sharp contrast to the normal MR effect in conventional magnetic tunnel junctions...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166041/molecular-origin-of-aging-of-pure-se-glass-growth-of-inter-chain-structural-correlations-network-compaction-and-partial-ordering
#14
S Dash, P Chen, P Boolchand
Glass transition width W of pure Se narrows from 7.1(3) °C to 1.5(2) °C and the non-reversing enthalpy of relaxation (ΔHnr) at Tg increases from 0.23(5) cal/g to 0.90(5) cal/g upon room temperature aging for 4 months in the dark as examined in modulated differential scanning colorimetry (MDSC) at low scan rates. In Raman scattering, such aging leads the A1 mode of Sen-chains (near 250 cm(-1)) to narrow by 26% and its scattering strength to decrease as the strength of modes of correlated chains (near 235 cm(-1)) and of Se8 rings (near 264 cm(-1)) systematically grows...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166027/nanoscale-detection-of-intermediate-solid-solutions-in-equilibrated-lixfepo4-microcrystals
#15
Brian M May, Young-Sang Yu, Martin Holt, Fiona C Strobridge, Ulrike Bösenberg, Clare P Grey, Jordi Cabana
Redox-driven phase transformations in solids determine the performance of lithium-ion batteries, crucial in the technological transition from fossil fuels. Couplings between chemistry and strain define reversibility and fatigue of an electrode. The accurate definition of all phases in the transformation, their energetics and nanoscale location within a particle produces fundamental understanding of these couplings needed to design materials with ultimate performance. Here we demonstrate that scanning X-ray diffraction microscopy (SXDM) extends our ability to image battery processes in single particles...
November 22, 2017: Nano Letters
https://www.readbyqxmd.com/read/29166008/porous-scaffolds-for-electrochemically-controlled-reversible-capture-and-release-of-ethylene
#16
Lukasz Mendecki, Michael Ko, Xiaoping Zhang, Zheng Meng, Katherine A Mirica
This Communication describes the use of porous coordination polymers (PCP) with integrated metal bis(dithiolene) units to achieve electrochemically controlled capture and release of ethylene in the solid state. Applying positive potential (+2.0 V) to these PCPs promotes ethylene capture, and subsequent dose of negative potential (-2.0 V) induces the release. These materials are resistant to poisoning by small reactive gases (CO and H2S) that may interact with embedded metallic sites.
November 22, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29166005/self-assembly-of-tetrameric-and-hexameric-terpyridine-based-macrocycles-using-cd-ii-zn-ii-and-fe-ii
#17
Lei Wang, Zhe Zhang, Xin Jiang, Jennifer A Irvin, Changlin Liu, Ming Wang, Xiaopeng Li
The self-assembly behavior of a tritopic 2,2':6',2″-terpyridine (tpy) ligand with Cd(II), Zn(II), and Fe(II) has been exploited herein to generate a series of tetrameric and hexameric macrocycles. The main advantage of using such transition metals with an octahedral coordination geometry is their distinct coordination abilities (e.g., binding strength and reversibility). With the same ligand, this study reveals that the supramolecular structural variation between tetrameric and hexameric macrocycle architectures can be precisely controlled using different metal ions with the same coordination geometry...
November 22, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29166001/a-redox-role-for-the-4fe4s-cluster-of-yeast-dna-polymerase-%C3%AE
#18
Phillip L Bartels, Joseph L Stodola, Peter M J Burgers, Jacqueline K Barton
A [4Fe4S]2+ cluster in the C-terminal domain of the catalytic subunit of the eukaryotic B-family DNA polymerases is essential for the formation of active multi-subunit complexes. Here we use a combination of electrochemical and biochemical methods to assess the redox activity of the [4Fe4S]2+ cluster in Saccharomyces cerevisiae polymerase (Pol) δ, the lagging strand DNA polymerase. We find that Pol δ bound to DNA is indeed redox-active at physiological potentials, generating a DNA-mediated signal electrochemically with a midpoint potential of 113 ± 5 mV versus NHE...
November 22, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29165998/characterization-of-natural-organic-substances-potentially-hindering-rt-pcr-based-virus-detection-in-large-volumes-of-environmental-water
#19
Akihiko Hata, Manami Inaba, Hiroyuki Katayama, Hiroaki Furumai
Quantitative detection of pathogenic viruses in the environmental water is essential for the assessment of water safety. It is known that some of natural organic substances interfere with virus detection processes, i.e., nucleic acid extraction and reverse transcription-PCR. Such substances are carried over into a sample after virus concentration. In this study, inhibitory substances in coastal water samples were characterized in view of their effects on efficiency of virus detection and property as organic matters...
November 22, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/29165932/carbon-necklace-incorporated-electroactive-reservoir-constructing-flexible-papers-for-advanced-lithium-ion-batteries
#20
Min Du, Kun Rui, Yuanqin Chang, Yu Zhang, Zhongyuan Ma, Wenping Sun, Qingyu Yan, Jixin Zhu, Wei Huang
Metal-organic frameworks (MOFs) and their derivatives with well-defined structures and compositions show great potential for wide applications such as sensors, catalysis, energy storage, and conversion, etc. However, poor electric conductivity and large volume expansion are main obstacles for their utilization in energy storage, e.g., lithium-ion batteries and supercapacitors. Herein, a facile strategy is proposed for embedding the MOFs, e.g., ZIF-67 and MIL-88 into polyacrylonitrile fibers, which is further used as a template to build a 3D interconnected conductive carbon necklace paper...
November 22, 2017: Small
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