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https://www.readbyqxmd.com/read/28215029/an-introduction-to-the-pathophysiology-of-aneurysmal-subarachnoid-hemorrhage
#1
REVIEW
Jasper H van Lieshout, Maxine Dibué-Adjei, Jan F Cornelius, Philipp J Slotty, Toni Schneider, Tanja Restin, Hieronymus D Boogaarts, Hans-Jakob Steiger, Athanasios K Petridis, Marcel A Kamp
Pathophysiological processes following subarachnoid hemorrhage (SAH) present survivors of the initial bleeding with a high risk of morbidity and mortality during the course of the disease. As angiographic vasospasm is strongly associated with delayed cerebral ischemia (DCI) and clinical outcome, clinical trials in the last few decades focused on prevention of these angiographic spasms. Despite all efforts, no new pharmacological agents have shown to improve patient outcome. As such, it has become clear that our understanding of the pathophysiology of SAH is incomplete and we need to reevaluate our concepts on the complex pathophysiological process following SAH...
February 18, 2017: Neurosurgical Review
https://www.readbyqxmd.com/read/28214619/transition-from-non-fickian-to-fickian-longitudinal-transport-through-3-d-rough-fractures-scale-in-sensitivity-and-roughness-dependence
#2
Lichun Wang, M Bayani Cardenas
Understanding transport in rough fractures from non-Fickian to Fickian regimes and the prediction of non-Fickian transport is critical for the development of new transport theories and many practical applications. Through computational experiments that fall within the macrodispersion regime, we first simulated and analyzed solute transport through synthetic rough fractures with stationary geometrical properties (i.e., fracture roughness σb/〈b〉 and correlation length λ, where b refers to aperture with its standard deviation σb and arithmetic mean 〈b〉) across increasing fracture longitudinal transport domain length L, with L/λ ranging from 2...
February 4, 2017: Journal of Contaminant Hydrology
https://www.readbyqxmd.com/read/28214132/language-evolution-a-changing-perspective
#3
REVIEW
Michael C Corballis
From ancient times, religion and philosophy have regarded language as a faculty bestowed uniquely and suddenly on our own species, primarily as a mode of thought with communication as a byproduct. This view persists among some scientists and linguists and is counter to the theory of evolution, which implies that the evolution of complex structures is incremental. I argue here that language derives from mental processes with gradual evolutionary trajectories, including the generative capacities to travel mentally in time and space and into the minds of others...
February 14, 2017: Trends in Cognitive Sciences
https://www.readbyqxmd.com/read/28212487/interactions-between-membranes-and-metaphilic-polypeptide-architectures-with-diverse-sidechain-populations
#4
Michelle W Lee, Ming Han, Guilherme Volpe Bossa, Carly Snell, Ziyuan Song, Haoyu Tang, Lichen Yin, Jianjun Cheng, Sylvio May, Erik Luijten, Gerard C L Wong
At physiological conditions, most proteins or peptides can fold into relatively stable structures that present on their molecular surfaces specific chemical patterns partially smeared out by thermal fluctuations. These nanoscopically defined patterns of charge, hydrogen bonding, and/or hydrophobicity, along with their elasticity and shape stability (folded proteins have Young's moduli of ~1 × 10(8) Pa), largely determine and limit the interactions of these molecules, such as molecular recognition and allosteric regulation...
February 17, 2017: ACS Nano
https://www.readbyqxmd.com/read/28212300/amorphous-amorphous-phase-separation-in-api-polymer-formulations
#5
Christian Luebbert, Fabian Huxoll, Gabriele Sadowski
The long-term stability of pharmaceutical formulations of poorly-soluble drugs in polymers determines their bioavailability and therapeutic applicability. However, these formulations do not only often tend to crystallize during storage, but also tend to undergo unwanted amorphous-amorphous phase separations (APS). Whereas the crystallization behavior of APIs in polymers has been measured and modeled during the last years, the APS phenomenon is still poorly understood. In this study, the crystallization behavior, APS, and glass-transition temperatures formulations of ibuprofen and felodipine in polymeric PLGA excipients exhibiting different ratios of lactic acid and glycolic acid monomers in the PLGA chain were investigated by means of hot-stage microscopy and DSC...
February 15, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28211966/formation-of-organometallic-intermediate-states-in-on-surface-ullmann-couplings
#6
Dennis Barton, Hong-Ying Gao, Philipp Alexander Held, Armido Studer, Harald Fuchs, Nikos L Doltsinis, Johannes Neugebauer
Possible origins of the formation of organometallic intermediates in on-surface Ullmann couplings have been investigated by surface tunneling microscopy (STM) and density functional theory (DFT) calculations. We consider the case of iodobenzenes on the coinage metals Au, Ag and Cu. We found experimental evidence for the formation of surface vacancies and the presence of metal adatoms in these coupling reactions, which are taken as a hint for the reactive extraction of surface atoms by adsorbates. In a second step, we demonstrate by ab initio molecular dynamics calculations for aryl-iodides on copper that metal atoms can be pulled out of the surface to form metalorganic species...
February 17, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28211758/life-cycle-host-utilization-and-ecological-fitting-for-invasive-lancet-liver-fluke-dicrocoelium-dendriticum-emerging-in-southern-alberta-canada
#7
Bradley van Paridon, John S Gilleard, Douglas D Colwell, Cameron P Goater
The expansion of parasite distributions outside of their native host and geographical ranges has occurred repeatedly over evolutionary time. Contemporary examples include emerging infectious diseases (EID's), many of which pose threats to human, domestic animal, and wildlife populations. Theory predicts that parasites with complex life cycles will be rare as EID's due to constraints imposed by host specialization at each life-cycle stage. In contrast to predictions of this theory, we report 2 new intermediate hosts in the 3-host life cycle of the liver fluke Dicrocoelium dendriticum in Cypress Hills Provincial Park, Alberta, Canada...
February 17, 2017: Journal of Parasitology
https://www.readbyqxmd.com/read/28211686/multipole-moments-in-the-effective-fragment-potential-method
#8
Colleen Bertoni, Lyudmila V Slipchenko, Alston J Misquitta, Mark S Gordon
In the effective fragment potential (EFP) method the Coulomb potential is represented using a set of multipole moments generated by the distributed multipole analysis (DMA) method. Misquitta, Stone, and Fazeli recently developed a basis space-iterated stockholder atom (BS-ISA) method to generate multipole moments. This study assesses the accuracy of the EFP interaction energies using sets of multipole moments generated from the BS-ISA method, and from several versions of the DMA method (such as analytic and numeric grid-based), with varying basis sets...
February 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28211036/unconscious-phantasy-as-a-structural-principle-and-organizer-of-mental-life-the-evolution-of-a-concept-from-freud-to-klein-and-some-of-her-successors
#9
Heinz Weiss
Starting with Freud's discovery of unconscious phantasy as a means of accessing his patients' internal world, the author discusses the evolution of the concept in the work of Melanie Klein and some of her successors. Whereas Freud sees phantasy as a wish fulfilling imagination, dominated by primary process functioning and kept apart from reality testing, Klein understands phantasies as a structural function and organizer of mental life. From their very beginnings they involve object relations and gradually evolve from primitive body-near experiences to images and symbolic representations...
February 17, 2017: International Journal of Psycho-analysis
https://www.readbyqxmd.com/read/28210809/growth-dynamics-of-juvenile-loggerhead-sea-turtles-undergoing-an-ontogenetic-habitat-shift
#10
Matthew D Ramirez, Larisa Avens, Jeffrey A Seminoff, Lisa R Goshe, Selina S Heppell
Ontogenetic niche theory predicts that individuals may undergo one or more changes in habitat or diet throughout their lifetime to maintain optimal growth rates, or to optimize trade-offs between mortality risk and growth. We combine skeletochronological and stable nitrogen isotope (δ(15)N) analyses of sea turtle humeri (n = 61) to characterize the growth dynamics of juvenile loggerhead sea turtles (Caretta caretta) during an oceanic-to-neritic ontogenetic shift. The primary objective of this study was to determine how ontogenetic niche theory extends to sea turtles, and to individuals with different patterns of resource use (discrete shifters, n = 23; facultative shifters n = 14; non-shifters, n = 24)...
February 16, 2017: Oecologia
https://www.readbyqxmd.com/read/28210720/vibrational-intensities-in-the-mobile-block-hessian-approximation
#11
Richard Terrett, Rob Stranger, Terry Frankcombe, Ronald J Pace
Herein we present a proof of concept for the recovery of vibrational intensities from density functional theory vibrational calculations performed in the Mobile Block Hessian (MBH) approximation, which constrains the internal degrees of freedom of designated subsets of a molecule. We compare and contrast the behaviour of this methodology with respect to conventional vibrational calculations, and characterise the performance and accuracy of our method with respect to the size of MBH constrained regions within a variety of species...
February 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28209122/effects-and-meanings-of-a-person-centred-and-health-promoting-intervention-in-home-care-services-a-study-protocol-of-a-non-randomised-controlled-trial
#12
Karin Bölenius, Kristina Lämås, Per-Olof Sandman, David Edvardsson
BACKGROUND: The literature indicates that current home care service are largely task oriented with limited focus on the involvement of the older people themselves, and studies show that lack of involvement might reduce older people's quality of life. Person-centred care has been shown to improve the satisfaction with care and quality of life in older people cared for in hospitals and nursing homes, with limited published evidence about the effects and meanings of person-centred interventions in home care services for older people...
February 16, 2017: BMC Geriatrics
https://www.readbyqxmd.com/read/28208753/possible-impact-of-190g-a-ccr2-and-%C3%AE-32-ccr5-mutations-on-decrease-of-the-hbv-vaccine-immunogenicity-a-preliminary-report
#13
Maria Ganczak, Karolina Skonieczna-Żydecka, Marzena Drozd-Dąbrowska, Grażyna Adler
Background: Chemokine genetic variations are involved in infectious diseases such as hepatitis B virus (HBV). Several allelic variants might, in theory, affect the outcome of vaccination. Objectives: This study was carried out to examine the associations of Δ32 CCR5 and 190G > A CCR2 polymorphisms with a response to a primary course of three HBV vaccinations. Methods: Between December 2014 and December 2016, patients from three randomly selected primary care clinics in the West Pomeranian region (Poland), 1 month after receiving the third dose of HBV vaccine, were enrolled...
February 8, 2017: International Journal of Environmental Research and Public Health
https://www.readbyqxmd.com/read/28208398/driven-tracers-in-narrow-channels
#14
J Cividini, D Mukamel, H A Posch
Steady-state properties of a driven tracer moving in a narrow two-dimensional (2D) channel of quiescent medium are studied. The tracer drives the system out of equilibrium, perturbs the density and pressure fields, and gives the bath particles a nonzero average velocity, creating a current in the channel. Three models in which the confining effect of the channel is probed are analyzed and compared in this study: the first is the simple symmetric exclusion process (SSEP), for which the stationary density profile and the pressure on the walls in the frame of the tracer are computed...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28208325/one-loop-diagrams-in-the-random-euclidean-matching-problem
#15
Carlo Lucibello, Giorgio Parisi, Gabriele Sicuro
The matching problem is a notorious combinatorial optimization problem that has attracted for many years the attention of the statistical physics community. Here we analyze the Euclidean version of the problem, i.e., the optimal matching problem between points randomly distributed on a d-dimensional Euclidean space, where the cost to minimize depends on the points' pairwise distances. Using Mayer's cluster expansion we write a formal expression for the replicated action that is suitable for a saddle point computation...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28208319/robustness-and-fragility-in-coupled-oscillator-networks-under-targeted-attacks
#16
Tianyu Yuan, Kazuyuki Aihara, Gouhei Tanaka
The dynamical tolerance of coupled oscillator networks against local failures is studied. As the fraction of failed oscillator nodes gradually increases, the mean oscillation amplitude in the entire network decreases and then suddenly vanishes at a critical fraction as a phase transition. This critical fraction, widely used as a measure of the network robustness, was analytically derived for random failures but not for targeted attacks so far. Here we derive the general formula for the critical fraction, which can be applied to both random failures and targeted attacks...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28208316/bistable-director-alignments-of-nematic-liquid-crystals-confined-in-frustrated-substrates
#17
Takeaki Araki, Jumpei Nagura
We studied in-plane bistable alignments of nematic liquid crystals confined by two frustrated surfaces by means of Monte Carlo simulations of the Lebwohl-Lasher spin model. The surfaces are prepared with orientational checkerboard patterns, on which the director field is locally anchored to be planar yet orthogonal between the neighboring blocks. We found the director field in the bulk tends to be aligned along the diagonal axes of the checkerboard pattern, as reported experimentally [J.-H. Kim et al., Appl...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28205402/quantum-chemistry-descriptors-for-photosensitizers-based-on-macrocycles
#18
Fernanda Bettanin, Felipe C T Antonio, Kathia M Honorio, Paula Homem-de-Mello
Phthalocyanines, porphyrins, and chlorins have been widely studied as photosensitizers. Both experimental and computational strategies are employed in order to propose new and more active molecules derived from those macrocycles. In this context, there are two main strategies used: (i) the addition of different substituents and (ii) the complexation of the macrocycle with different metallic ions. In this work, we present selected descriptors based on quantum chemistry calculations for forty macrocycles, including some approved drugs...
February 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28203207/morphotype-dependent-flow-characteristics-in-bicuspid-aortic-valve-ascending-aortas-a-benchtop-particle-image-velocimetry-study
#19
Andrew McNally, Ashish Madan, Philippe Sucosky
The bicuspid aortic valve (BAV) is a major risk factor for secondary aortopathy such as aortic dilation. The heterogeneous BAV morphotypes [left-right-coronary cusp fusion (LR), right-non-coronary cusp fusion (RN), and left-non-coronary cusp fusion (LN)] are associated with different dilation patterns, suggesting a role for hemodynamics in BAV aortopathogenesis. However, assessment of this theory is still hampered by the limited knowledge of the hemodynamic abnormalities generated by the distinct BAV morphotypes...
2017: Frontiers in Physiology
https://www.readbyqxmd.com/read/28201921/generalized-spin-ratio-scaled-mp2-method-for-accurate-prediction-of-intermolecular-interactions-for-neutral-and-ionic-species
#20
Samuel Tan, Santiago Barrera Acevedo, Ekaterina I Izgorodina
The accurate calculation of intermolecular interactions is important to our understanding of properties in large molecular systems. The high computational cost of the current "gold standard" method, coupled cluster with singles and doubles and perturbative triples (CCSD(T), limits its application to small- to medium-sized systems. Second-order Møller-Plesset perturbation (MP2) theory is a cheaper alternative for larger systems, although at the expense of its decreased accuracy, especially when treating van der Waals complexes...
February 14, 2017: Journal of Chemical Physics
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