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https://www.readbyqxmd.com/read/28107725/photo-release-of-nitrous-oxide-from-the-hyponitrite-ion-studied-by-infrared-spectroscopy-evidence-for-the-generation-of-a-cobalt-n2o-complex-experimental-and-dft-calculations
#1
M Elizabeth Chacón Villalba, Carlos A Franca, Jorge A Güida
The solid state photolysis of sodium, silver and thallium hyponitrite (M2N2O2, M=Na, Ag, Tl) salts and a binuclear complex of cobalt bridged by hyponitrite ([Co(NH3)5-N(O)-NO-Co(NH3)5](4+)) were studied by irradiation with visible and UV light in the electronic absorption region. The UV-visible spectra for free hyponitrite ion and binuclear complex of cobalt were interpreted in terms of Density Functional Theory calculations in order to explain photolysis behavior. The photolysis of each compound depends selectively on the irradiation wavelength...
January 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28107688/sequencing-and-de-novo-assembly-of-visceral-mass-transcriptome-of-the-critically-endangered-land-snail-satsuma-myomphala-annotation-and-ssr-discovery
#2
Se Won Kang, Bharat Bhusan Patnaik, Hee-Ju Hwang, So Young Park, Jong Min Chung, Dae Kwon Song, Hongray Howrelia Patnaik, Jae Bong Lee, Changmu Kim, Soonok Kim, Young-Su Park, Hong Seog Park, Seung-Hwan Park, Yeon Soo Han, Jun Sang Lee, Yong Seok Lee
Satsuma myomphala is critically endangered through loss of natural habitats, predation by natural enemies, and indiscriminate collection. It is a protected species in Korea but lacks genomic resources for an understanding of varied functional processes attributable to evolutionary success under natural habitats. For assessing the genetic information of S. myomphala, we performed for the first time, de novo transcriptome sequencing and functional annotation of expressed sequences using Illumina Next-Generation Sequencing (NGS) platform and bioinformatics analysis...
October 29, 2016: Comparative Biochemistry and Physiology. Part D, Genomics & Proteomics
https://www.readbyqxmd.com/read/28107684/non-invasive-brain-stimulation-targeting-the-right-fusiform-gyrus-selectively-increases-working-memory-for-faces
#3
Tad T Brunyé, Joseph M Moran, Amanda Holmes, Caroline R Mahoney, Holly A Taylor
The human extrastriate cortex contains a region critically involved in face detection and memory, the right fusiform gyrus. The present study evaluated whether transcranial direct current stimulation (tDCS) targeting this anatomical region would selectively influence memory for faces versus non-face objects (houses). Anodal tDCS targeted the right fusiform gyrus (Brodmann's Area 37), with the anode at electrode site PO10, and cathode at FP2. Two stimulation conditions were compared in a repeated-measures design: 0...
January 17, 2017: Brain and Cognition
https://www.readbyqxmd.com/read/28107658/validation-of-a-personalized-curved-muscle-model-of-the-lumbar-spine-during-complex-dynamic-exertions
#4
Jaejin Hwang, Gregory G Knapik, Jonathan S Dufour, Thomas M Best, Safdar N Khan, Ehud Mendel, William S Marras
Previous curved muscle models have typically examined their robustness only under simple, single-plane static exertions. In addition, the empirical validation of curved muscle models through an entire lumbar spine has not been fully realized. The objective of this study was to empirically validate a personalized biologically-assisted curved muscle model during complex dynamic exertions. Twelve subjects performed a variety of complex lifting tasks as a function of load weight, load origin, and load height. Both a personalized curved muscle model as well as a straight-line muscle model were used to evaluate the model's fidelity and prediction of three-dimensional spine tissue loads under different lifting conditions...
January 9, 2017: Journal of Electromyography and Kinesiology
https://www.readbyqxmd.com/read/28107637/survival-predictions-of-ceramic-crowns-using-statistical-fracture-mechanics
#5
S Nasrin, N Katsube, R R Seghi, S I Rokhlin
This work establishes a survival probability methodology for interface-initiated fatigue failures of monolithic ceramic crowns under simulated masticatory loading. A complete 3-dimensional (3D) finite element analysis model of a minimally reduced molar crown was developed using commercially available hardware and software. Estimates of material surface flaw distributions and fatigue parameters for 3 reinforced glass-ceramics (fluormica [FM], leucite [LR], and lithium disilicate [LD]) and a dense sintered yttrium-stabilized zirconia (YZ) were obtained from the literature and incorporated into the model...
January 1, 2017: Journal of Dental Research
https://www.readbyqxmd.com/read/28107632/structural-changes-in-acetophenone-fluid-films-as-a-function-of-nano-scale-thickness
#6
Samantha L Nania, Scott K Shaw
We report experimental observations of a developing fluid-solid interface by examining acetophenone films of varying thicknesses, supported on solid silver substrates. A dynamic wetting technique provides experimental control of fluid film thickness as a function of rotational velocity. Ellipsometry and infrared reflection absorption spectroscopy data are analyzed to provide absolute film thickness and details of the changing chemical environment for varying film thickness. This data is compared to theoretical models that predict fluid film thicknesses based on physical-chemical properties of the acetophenone/silver pair...
January 20, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28107466/thermal-conductivity-performance-of-polypropylene-composites-filled-with-polydopamine-functionalized-hexagonal-boron-nitride
#7
Lin Chen, Hong-Fei Xu, Shao-Jian He, Yi-Hang Du, Nan-Jie Yu, Xiao-Ze Du, Jun Lin, Sergei Nazarenko
Mussel-inspired approach was attempted to non-covalently functionalize the surfaces of boron nitride (BN) with self-polymerized dopamine coatings in order to reduce the interfacial thermal barrier and enhance the thermal conductivity of BN-containing composites. Compared to the polypropylene (PP) composites filled with pristine BN at the same filler content, thermal conductivity was much higher for those filled with both functionalized BN (f-BN) and maleic anhydride grafted PP (PP-g-ma) due to the improved filler dispersion and better interfacial filler-matrix compatibility, which facilitated the development of more thermal paths...
2017: PloS One
https://www.readbyqxmd.com/read/28107392/upon-accounting-for-the-impact-of-isoenzyme-loss-gene-deletion-costs-anticorrelate-with-their-evolutionary-rates
#8
Christopher Jacobs, Luke Lambourne, Yu Xia, Daniel Segrè
System-level metabolic network models enable the computation of growth and metabolic phenotypes from an organism's genome. In particular, flux balance approaches have been used to estimate the contribution of individual metabolic genes to organismal fitness, offering the opportunity to test whether such contributions carry information about the evolutionary pressure on the corresponding genes. Previous failure to identify the expected negative correlation between such computed gene-loss cost and sequence-derived evolutionary rates in Saccharomyces cerevisiae has been ascribed to a real biological gap between a gene's fitness contribution to an organism "here and now" and the same gene's historical importance as evidenced by its accumulated mutations over millions of years of evolution...
2017: PloS One
https://www.readbyqxmd.com/read/28106879/bacterial-community-segmentation-facilitates-the-prediction-of-ecosystem-function-along-the-coast-of-the-western-antarctic-peninsula
#9
Jeff S Bowman, Linda A Amaral-Zettler, Jeremy J Rich, Catherine M Luria, Hugh W Ducklow
Bacterial community structure can be combined with observations of ecophysiological data to build predictive models of microbial ecosystem function. These models are useful for understanding how function might change in response to a changing environment. Here we use five spring-summer seasons of bacterial community structure and flow cytometry data from a productive coastal site along the western Antarctic Peninsula to construct models of bacterial production (BP), an ecosystem function that heterotrophic bacteria provide...
January 20, 2017: ISME Journal
https://www.readbyqxmd.com/read/28106790/contributions-of-letter-speech-sound-learning-and-visual-print-tuning-to-reading-improvement-evidence-from-brain-potential-and-dyslexia-training-studies
#10
REVIEW
Gorka Fraga González, Gojko Žarić, Jurgen Tijms, Milene Bonte, Maurits W van der Molen
We use a neurocognitive perspective to discuss the contribution of learning letter-speech sound (L-SS) associations and visual specialization in the initial phases of reading in dyslexic children. We review findings from associative learning studies on related cognitive skills important for establishing and consolidating L-SS associations. Then we review brain potential studies, including our own, that yielded two markers associated with reading fluency. Here we show that the marker related to visual specialization (N170) predicts word and pseudoword reading fluency in children who received additional practice in the processing of morphological word structure...
January 18, 2017: Brain Sciences
https://www.readbyqxmd.com/read/28106663/the-role-of-laser-doppler-flowmetry-tests-serum-angiopoietin-2-asymmetric-and-symmetric-dimethylarginine-to-predict-outcome-in-chronic-kidney-disease
#11
János Nemcsik, Orsolya Cseprekál, József Egresits, Jan Kielstein, Philipp Kümpers, Alexander Lukasz, Ádám Tabák, Adrienn Marton, Zsófia K Németh, Zoltán Járai, Gabriella Godina, László Sallai, Katalin Farkas, István Kiss, András Tislér
OBJECTIVE: The role of biochemical and functional markers of microvascular dysfunction to predict cardiovascular outcomes in nondialyzed chronic kidney disease (CKD) remains unclear. In this prospective cohort study, we assessed whether biochemical [serum level of angiopoietin-2 (Ang-2), asymmetric and symmetric dimethylarginin] and functional (laser Doppler flowmetry) measures of microvascular function predicted cardiovascular events, cardiovascular and all-cause mortality in CKD patients...
January 18, 2017: Journal of Hypertension
https://www.readbyqxmd.com/read/28106572/training-in-positivity-for-stroke-a-qualitative-study-of-acceptability-of-use-of-positive-mental-training-posmt-as-a-tool-to-assist-stroke-survivors-with-post-stroke-psychological-problems-and-in-coping-with-rehabilitation
#12
Nahal Mavaddat, Sheila Ross, Alastair Dobbin, Kate Williams, Jonathan Graffy, Jonathan Mant
BACKGROUND: Post-stroke psychological problems predict poor recovery, while positive affect enables patients to focus on rehabilitation and may improve functional outcomes. Positive Mental Training (PosMT), a guided self-help audio shows promise as a tool in promoting positivity, optimism and resilience. OBJECTIVE: To assess acceptability of training in positivity with PosMT for prevention and management of post-stroke psychological problems and to help with coping with rehabilitation...
January 18, 2017: NeuroRehabilitation
https://www.readbyqxmd.com/read/28106560/face-name-associative-recognition-deficits-in-subjective-cognitive-decline-and-mild-cognitive-impairment
#13
Alexandra Polcher, Ingo Frommann, Alexander Koppara, Steffen Wolfsgruber, Frank Jessen, Michael Wagner
BACKGROUND: There is a need for more sensitive neuropsychological tests to detect subtle cognitive deficits emerging in the preclinical stage of Alzheimer's disease (AD). Associative memory is a cognitive function supported by the hippocampus and affected early in the process of AD. OBJECTIVE: We developed a short computerized face-name-associative-recognition test (FNART) and tested whether it would detect memory impairment in memory-clinic patients with mild cognitive impairment (MCI) and subjective cognitive decline (SCD)...
January 19, 2017: Journal of Alzheimer's Disease: JAD
https://www.readbyqxmd.com/read/28106448/accelerating-ab%C3%A2-initio-molecular-dynamics-and-probing-the-weak-dispersive-forces-in-dense-liquid-hydrogen
#14
Guglielmo Mazzola, Sandro Sorella
We propose an ab initio molecular dynamics method, capable of dramatically reducing the autocorrelation time required for the simulation of classical and quantum particles at finite temperatures. The method is based on an efficient implementation of a first order Langevin dynamics modified by means of a suitable, position dependent acceleration matrix S. Here, we apply this technique to both Lennard-Jones models, to demonstrate the accuracy and speeding-up of the sampling, and within a quantum Monte Carlo based wave function approach, for determining the phase diagram of high-pressure hydrogen with simulations much longer than the autocorrelation time...
January 6, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28106402/molecular-orbital-rule-for-quantum-interference-in-weakly-coupled-dimers-%C3%A2-low-energy-giant-conductance-switching-induced-by-orbital-level-crossing
#15
Daijiro Nozaki, Andreas Lücke, Wolf Gero Schmidt
Destructive Quantum interference (QI) in molecular junctions has attracted much attention in recent years. It can tune the conductance of molecular devices dramatically, which implies numerous potential applications in thermoelectric and switching applications. There are several schemes that address and rationalize QI in single molecular devices. Dimers play a particular role in this respect, since the QI signal may disappear, depending on the dislocation of monomers. In this Letter, we derive a simple rule that governs the occurrence of QI in weakly coupled dimer stacks of both alternant and non-alternant polyaromatic hydrocarbons (PAHs) and extends the Tada-Yoshizawa scheme...
January 20, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28106342/electrochemical-reduction-of-oxygen-in-aprotic-ionic-liquids-containing-metal-cations-na-o2-system-case-study
#16
Eneko Azaceta, Lukas Lutz, Alexis Grimaud, Jose Manuel Vicent-Luna, Said Hamad, Luis Yate, Geman Cabañero, Hans-Jurgen Grande, Juan Antonio Anta, Jean-Marie Tarascon, Ramon Tena-Zaera
Metal-air batteries are intensively studied because of their high theoretical energy storage capability. However, the fundamental science at work dealing with electrodes, electrolytes and reaction products still need to be better understood. In this report, the ionic liquid N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl) imide (PYR14TFSI) is chosen to study the influence of a wide range of metal cations (Mn+) on the electrochemical behavior of oxygen.. We demonstrate the relevance of the Lewis hard-soft acid-base (HSAB) theory to predict satisfactorily the reduction potential of the oxygen reduction in electrolytes containing metal cations...
January 19, 2017: ChemSusChem
https://www.readbyqxmd.com/read/28106297/different-dynamics-and-pathway-of-disulfide-bonds-reduction-of-two-human-defensins-a-molecular-dynamics-simulation-study
#17
Liqun Zhang
Human defensins are a class of antimicrobial peptides that are crucial components of the innate immune system. Both human α defensin type 5(HD5) and human β defensin type 3 (hBD-3) have 6 cysteine residues which form 3 pairs of disulfide bonds under oxidizing condition. Disulfide bond linking is important to the protein structure stabilization, and the disulfide bond linking and breaking order has been shown to influence protein function. In this project, microsecond long molecular dynamics simulations were performed to study the structure and dynamics of HD5 and hBD-3 wildtype and analogs which have all 3 disulfide bonds released under reducing conditions...
January 20, 2017: Proteins
https://www.readbyqxmd.com/read/28106241/optimising-renal-cancer-patients-for-nephron-sparing-surgery-a-review-of-pre-operative-considerations-and-peri-operative-techniques-for-partial-nephrectomy
#18
Hani Ertemi, Pramit Khetrapal, Nevil M Pavithran, Faiz Mumtaz
Nonmodifiable factors including pre-operative renal function and amount of healthy renal tissue preserved are the most important predictive factors that determine renal function after partial nephrectomy. Ischaemia time is an important modifiable risk factor and cold ischaemia time should be used if longer ischaemia time is anticipated. New techniques may have a role in maximising postoperative kidney function, but more robust studies are required to understand their potential benefits and risks.
January 16, 2017: Urologia
https://www.readbyqxmd.com/read/28106216/kinetics-of-polymer-collapse-effect-of-temperature-on-cluster-growth-and-aging
#19
Suman Majumder, Johannes Zierenberg, Wolfhard Janke
Using state of the art Monte Carlo simulations of a bead-spring model we investigate both the equilibrium and the nonequilibrium behavior of the homopolymer collapse. The equilibrium properties obtained via multicanonical sampling recover the well-known finite-size scaling behavior of collapse for our model polymer. For the nonequilibrium dynamics we study the collapse by quenching the homopolymer from an expanded coiled state into the globular phase. The sequence of events observed during the collapse is independent of the quench depth...
January 20, 2017: Soft Matter
https://www.readbyqxmd.com/read/28106197/gas-diffusion-on-graphene-surfaces
#20
Chengzhen Sun, Bofeng Bai
Graphene provides a possibility where gas adsorption energy is comparable with molecular collision energy for physically adsorbed gases, resulting in the incompetence of the traditional hopping model to describe graphene-related surface diffusion phenomena. By calculating surface diffusion coefficients based on the Einstein equation, we exactly demonstrate that the gas diffusion on a graphene surface is a two-dimensional gas behavior mainly controlled by the collisions between adsorbed molecules. The surface diffusion on the graphene film just follows the bulk diffusion qualitatively, namely the diffusion coefficients decrease with increasing gas pressure...
January 20, 2017: Physical Chemistry Chemical Physics: PCCP
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