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https://www.readbyqxmd.com/read/27911451/influence-of-specific-intermolecular-interactions-on-the-thermal-and-dielectric-properties-of-bulk-polymers-atomistic-molecular-dynamics-simulations-of-nylon-6
#1
N V Lukasheva, D A Tolmachev, V M Nazarychev, J M Kenny, S V Lyulin
Specific intermolecular interactions, in particular H-bonding, have a strong influence on the structural, thermal and relaxation characteristics of polymers. We report here the results of molecular dynamics simulations of Nylon 6 which provides an excellent example for the investigation of such an influence. To demonstrate the effect of proper accounting for H-bonding on bulk polymer properties, the AMBER99sb force field is used with two different parametrization approaches leading to two different sets of partial atomic charges...
December 2, 2016: Soft Matter
https://www.readbyqxmd.com/read/27911447/the-enlarged-extraocular-muscle-to-relax-reflect-or-refer
#2
F Shafi, P Mathewson, P Mehta, H S Ahluwalia
PurposeExtraocular muscle enlargement (EOME) is most commonly associated with thyroid eye disease, but there are other causes. We report our outcomes of investigating and managing non-thyroid-related EOME (NTR-EOME).MethodsRetrospective consecutive case series. Sixteen patients identified by clinical features and orbital imaging. Patient demographics, radiological features, and adjuvant tests including biopsy and final diagnosis were recorded.ResultsMean age at presentation 59.3 years (range 24-89 years). Mean follow-up 3...
December 2, 2016: Eye
https://www.readbyqxmd.com/read/27910974/fine-tuning-terminal-solvent-ligands-to-rationally-enhance-the-energy-barrier-in-dinuclear-dysprosium-single-molecule-magnets
#3
Kun Zhang, Chen Yuan, Fu-Sheng Guo, Yi-Quan Zhang, Yao-Yu Wang
In search of simple approaches to rationally enhance the energy barriers in polynuclear dysprosium single-molecule magnets, a new system containing two structurally closely related dinuclear dysprosium complexes, namely [Dy2(L)2(DBM)2(DMF)2] (1) and [Dy2(L)2(DBM)2(DMA)2]·2DMA (2) (HDBM = dibenzoylmethane, H2L = 2-hydroxy-N'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide), is introduced and the structure-dependent magnetic properties are investigated. The two complexes display only slight variations in the coordination geometries of the Dy(iii) ion but display remarkably different magnetic behaviors...
December 2, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/27910126/gradient-echo-epi-using-a-high-degree-shim-insert-coil-at-7%C3%A2-t-implications-for-bold-fmri
#4
Tae Kim, Yoojin Lee, Tiejun Zhao, Hoby P Hetherington, Jullie W Pan
PURPOSE: To quantitatively assess the effects of high degree and order (1(st) -4(th+) ) relative to 1(st) -2(nd) degree B0 shimming at 7 Tesla (T) on gradient-echo echo planar imaging (GE-EPI) and blood-oxygen-level dependent (BOLD) activation. METHODS: Simulations and GE-EPI were performed at (2mm)(3) and (3mm)(3) resolution, evaluating the temporal signal-to-noise ratio (tSNR), transverse relaxivity ( R2*), BOLD % signal change and activated pixel counts in a breath-hold task...
December 1, 2016: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/27910117/meta-analysis-of-standardised-mean-differences-from-randomised-trials-with-treatment-related-clustering-associated-with-care-providers
#5
Rebecca Walwyn, Chris Roberts
In meta-analyses, where a continuous outcome is measured with different scales or standards, the summary statistic is the mean difference standardised to a common metric with a common variance. Where trial treatment is delivered by a person, nesting of patients within care providers leads to clustering that may interact with, or be limited to, one or more of the arms. Assuming a common standardising variance is less tenable and options for scaling the mean difference become numerous. Metrics suggested for cluster-randomised trials are within, between and total variances and for unequal variances, the control arm or pooled variances...
December 1, 2016: Statistics in Medicine
https://www.readbyqxmd.com/read/27909595/effect-of-smoking-on-reversing-neuromuscular-block
#6
Ömür Öztürk, Gülbin Yalçın Sezen, Handan Ankaralı, Onur Özlü, Yavuz Demiraran, Hakan Ateş, Burhan Dost
OBJECTIVE: Rocuronium is a non-depolarising, intermediate-acting, monoquaternary amino steroid and was brought into clinical use as a potentially ideal muscle relaxant. Post-operative residual curarisation (PORC) results from the prolonged effects of non-depolarising neuromuscular blocking agents. This is a common problem and seriously affects patient safety. No recent study has investigated the effects of sugammadex on smokers, which is often used to restore neuromuscular block and avoid PORC...
August 2016: Turkish Journal of Anaesthesiology and Reanimation
https://www.readbyqxmd.com/read/27909550/information-seeking-and-anxiety-among-colonoscopy-na%C3%A3-ve-adults-direct-to-colonoscopy-vs-traditional-consult-first-pathways
#7
Jocelyn A Silvester, Harmandeep Kalkat, Lesley A Graff, John R Walker, Harminder Singh, Donald R Duerksen
AIM: To investigate the effects of direct to colonoscopy pathways on information seeking behaviors and anxiety among colonoscopy-naïve patients. METHODS: Colonoscopy-naïve patients at two tertiary care hospitals completed a survey immediately prior to their scheduled outpatient procedure and before receiving sedation. Survey items included clinical pathway (direct or consult), procedure indication (cancer screening or symptom investigation), telephone and written contact from the physician endoscopist office, information sources, and pre-procedure anxiety...
November 16, 2016: World Journal of Gastrointestinal Endoscopy
https://www.readbyqxmd.com/read/27909224/sarcomeric-protein-modification-during-adrenergic-stress-enhances-cross-bridge-kinetics-and-cardiac-output
#8
Kenneth S Gresham, Ranganath Mamidi, Jiayang Li, Hyerin Kwak, Julian E Stelzer
Molecular adaptations to chronic neurohormonal stress, including sarcomeric protein cleavage and phosphorylation, provide a mechanism to increase ventricular contractility and enhance cardiac output, yet the link between sarcomeric protein modifications and changes in myocardial function remains unclear. To examine the effects of neurohormonal stress on post-translational modifications of sarcomeric proteins, mice were administered combined α- and β-adrenergic receptor agonists (isoproterenol and phenylephrine; IPE) for 14 days using implantable osmotic pumps...
December 1, 2016: Journal of Applied Physiology
https://www.readbyqxmd.com/read/27908709/surgical-intervention-for-oromandibular-dystonia-related-limited-mouth-opening-long-term-follow-up
#9
Kazuya Yoshida
BACKGROUND: Oromandibular dystonia is a movement disorder that is characterized by involuntary masticatory and/or lingual muscle contracture. Jaw closing dystonia, the most common subtype of this condition, can cause trismus and is frequently misdiagnosed as temporomandibular joint disorder or masticatory muscle tendon-aponeurosis hyperplasia. MATERIALS AND METHODS: This report describes the long-term results of 18 patients with limited mouth opening (mean maximal mouth opening: 12...
October 28, 2016: Journal of Cranio-maxillo-facial Surgery
https://www.readbyqxmd.com/read/27908475/-promoting-the-holistic-dimension-of-nursing-care
#10
REVIEW
Ingrid Schivre
Ingrid Schivre's nursing practice in an emergency department has evolved towards more relaxing approaches which allow for a greater focus on the notion of caring.
December 2016: Revue de L'infirmière
https://www.readbyqxmd.com/read/27908251/effects-of-an-outpatient-service-rehabilitation-programme-in-patients-affected-by-pulmonary-arterial-hypertension-an-observational-study
#11
Maurizio Bussotti, Paola Gremigni, Roberto Fe Pedretti, Patrycja Kransinska, Silvia Di Marco, Paola Corbo, Giovanni Marchese, Paolo Totaro, Marinella Sommaruga
BACKGROUND: Pulmonary arterial hypertension (PAH) is a rare disease characterised by a severe impairment of functional status and quality of life (QoL). Use of rehabilitative programmes may help to improve outcomes. The aim of this pre/post test case series was to evaluate the impact of a training program, including sessions of aerobic and resistance exercise, inspiratory muscle reinforcement, slow breathing, relaxation, and psychological support, on functional outcomes. METHODS: Fifteen patients affected by PAH, in World Health Organization (WHO) Functional Class (FC) II or III and in stable clinical condition, were included in a 4-week cardiorespiratory training programme conducted in outpatient service...
November 30, 2016: Cardiovascular & Hematological Disorders Drug Targets
https://www.readbyqxmd.com/read/27908188/polymer-gel-dosimetry-for-measuring-the-dose-near-thin-high-z-materials-irradiated-with-high-energy-photon-beams
#12
Leighton L Warmington, N Gopishankar, John H Broadhurst, Yoichi Watanabe
PURPOSE: To investigate the feasibility of three-dimensional (3D) dose measurements near thin high-Z materials placed in a water-like medium by using a polymer gel dosimeter (PGD) when the medium was irradiated with high energy photon beams. METHODS: PGD is potentially a useful tool for this application because it can record the dose around a small object made of a high-Z material in a continuous 3D medium. In this study, the authors manufactured a methacrylic acid-based normoxic PGD, nMAG...
December 2016: Medical Physics
https://www.readbyqxmd.com/read/27908135/a-new-bead-spring-model-for-simulation-of-semi-flexible-macromolecules
#13
Amir Saadat, Bamin Khomami
A bead-spring model for semi-flexible macromolecules is developed to overcome the deficiencies of the current coarse-grained bead-spring models. Specifically, model improvements are achieved through incorporation of a bending potential. The new model is designed to accurately describe the correlation along the backbone of the chain, segmental length, and force-extension behavior of the macromolecule even at the limit of 1 Kuhn step per spring. The relaxation time of different Rouse modes is used to demonstrate the capabilities of the new model in predicting chain dynamics...
November 28, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/27908124/sub-tg-features-of-glasses-formed-by-cooling-glycerol-under-pressure-additional-incompatibility-of-vibrational-with-configurational-states-in-the-depressurized-high-density-glass
#14
Ove Andersson, G P Johari
The vibrational state of a glass is naturally incompatible with its configurational state, which makes the glass structurally unstable. When a glass is kept at constant temperature, both the vibrational and configurational states of a glass change with time until it becomes metastable (equilibrium) liquid and the two states become compatible. The process, known as structural relaxation, occurs at a progressively higher rate during heating, and the properties of a glass change accordingly. We add to this incompatibility by depressurizing a glass that had been formed by cooling a liquid under a high pressure, p, and then investigate the effects of the added incompatibility by studying thermal conductivity, κ, and the heat capacity per unit volume ρCp of the depressurized glass...
November 28, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/27908122/static-polarizabilities-for-excited-states-within-the-spin-conserving-and-spin-flipping-equation-of-motion-coupled-cluster-singles-and-doubles-formalism-theory-implementation-and-benchmarks
#15
Kaushik D Nanda, Anna I Krylov
We present the theory and implementation for calculating static polarizabilities within the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) framework for electronically excited states and its spin-flip variant. We evaluate the second derivatives of the EOM-CCSD Lagrangian with respect to electric-field perturbations. The relaxation of reference molecular orbitals is not included. In our approach, the wave function amplitudes satisfy the 2n + 1 rule and the amplitude-response Lagrange multipliers satisfy the 2n + 2 rule...
November 28, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/27908109/perturbation-of-hydration-layer-in-solvated-proteins-by-external-electric-and-electromagnetic-fields-insights-from-non-equilibrium-molecular-dynamics
#16
Prithwish K Nandi, Zdenek Futera, Niall J English
Given the fundamental role of water in governing the biochemistry of enzymes, and in regulating their wider biological activity (e.g., by local water concentration surrounding biomolecules), the influence of extraneous electric and electromagnetic (e/m) fields thereon is of central relevance to biophysics and, more widely, biology. With the increase in levels of local and atmospheric microwave-frequency radiation present in modern life, as well as other electric-field exposure, the impact upon hydration-water layers surrounding proteins, and biomolecules generally, becomes a particularly pertinent issue...
November 28, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/27908022/sampled-data-based-consensus-and-containment-control-of-multiple-harmonic-oscillators-a-motion-planning-approach
#17
Yongfang Liu, Yu Zhao, Guanrong Chen
This paper studies the distributed consensus and containment problems for a group of harmonic oscillators with a directed communication topology. First, for consensus without a leader, a class of distributed consensus protocols is designed by using motion planning and Pontryagin's principle. The proposed protocol only requires relative information measurements at the sampling instants, without requiring information exchange over the sampled interval. By using stability theory and the properties of stochastic matrices, it is proved that the distributed consensus problem can be solved in the motion planning framework...
November 2016: Chaos
https://www.readbyqxmd.com/read/27907170/complementation-of-an-aglb-mutant-of-methanococcus-maripaludis-with-heterologous-oligosaccharyltransferases
#18
Yan Ding, Helen A Vrionis, James Schneider, Alison Berezuk, Cezar M Khursigara, Ken F Jarrell
The oligosaccharyltransferase is the signature enzyme for N-linked glycosylation in all domains of life. In Archaea, this enzyme termed AglB, is responsible for transferring lipid carrier-linked glycans to select asparagine residues in a variety of target proteins including archaellins, S-layer proteins and pilins. This study investigated the ability of a variety of AglBs to compensate for the oligosaccharyltransferase activity in Methanococcus maripaludis deleted for aglB, using archaellin FlaB2 as the reporter protein since all archaellins in Mc...
2016: PloS One
https://www.readbyqxmd.com/read/27907107/a-time-calibrated-mitogenome-phylogeny-of-catfish-teleostei-siluriformes
#19
Ilias Kappas, Spiros Vittas, Chrysoula N Pantzartzi, Elena Drosopoulou, Zacharias G Scouras
A very significant part of the world's freshwater ichthyofauna is represented by ancient, exceptionally diverse and cosmopolitan ray-finned teleosts of the order Siluriformes. Over the years, catfish have been established as an exemplary model for probing historical biogeography at various scales. Yet, several tantalizing gaps still exist in their phylogenetic history, timeline and mode of diversification. Here, we re-examine the phylogeny of catfish by assembling and analyzing almost all publicly available mitogenome data...
2016: PloS One
https://www.readbyqxmd.com/read/27907055/effect-of-glu12-his89-interaction-on-dynamic-structures-in-hiv-1-p17-matrix-protein-elucidated-by-nmr
#20
Yuta Konagaya, Rina Miyakawa, Masumi Sato, Akimasa Matsugami, Satoru Watanabe, Fumiaki Hayashi, Takanori Kigawa, Chiaki Nishimura
To test the existence of the salt bridge and stability of the HIV-1 p17 matrix protein, an E12A (mutated at helix 1) was established to abolish possible electrostatic interactions. The chemical shift perturbation from the comparison between wild type and E12A suggested the existence of an electrostatic interaction in wild type between E12 and H89 (located in helix 4). Unexpectedly, the studies using urea denaturation indicated that the E12A substitution slightly stabilized the protein. The dynamic structure of E12A was examined under physiological conditions by both amide proton exchange and relaxation studies...
2016: PloS One
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