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Emergence complexity theory

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https://www.readbyqxmd.com/read/29451770/thermodynamic-and-kinetic-effects-in-the-crystallization-of-metal-organic-frameworks
#1
Anthony K Cheetham, G Kieslich, H H-M Yeung
The evolution of metal-organic frameworks (MOFs) has been one of the most exciting aspects of materials chemistry over the last 20 years. In this Account, we discuss the development during this period in our understanding of the factors that control the crystallization of MOFs from solution. Both classical porous MOFs and dense MOF phases are considered. This is an opportune time at which to examine this complex area because the experimental tools now available to interrogate crystallization processes have matured significantly in the last 5 years, particularly with the use of in situ synchrotron X-ray diffraction...
February 16, 2018: Accounts of Chemical Research
https://www.readbyqxmd.com/read/29448792/nanoscale-hydrodynamics-near-solids
#2
Diego Camargo, J A de la Torre, D Duque-Zumajo, Pep Español, Rafael Delgado-Buscalioni, Farid Chejne
Density Functional Theory (DFT) is a successful and well-established theory for the study of the structure of simple and complex fluids at equilibrium. The theory has been generalized to dynamical situations when the underlying dynamics is diffusive as in, for example, colloidal systems. However, there is no such a clear foundation for Dynamic DFT (DDFT) for the case of simple fluids in contact with solid walls. In this work, we derive DDFT for simple fluids by including not only the mass density field but also the momentum density field of the fluid...
February 14, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29446155/not-just-trust-factors-influencing-learners-attempts-to-perform-technical-skills-on-real-patients
#3
Susan L Bannister, Mark S Dolson, Lorelei Lingard, David A Keegan
CONTEXT: As part of their training, physicians are required to learn how to perform technical skills on patients. The previous literature reveals that this learning is complex and that many opportunities to perform these skills are not converted into attempts to do so by learners. This study sought to explore and understand this phenomenon better. METHODS: A multi-phased qualitative study including ethnographic observations, interviews and focus groups was conducted to explore the factors that influence technical skill learning...
February 15, 2018: Medical Education
https://www.readbyqxmd.com/read/29423550/resilience-concepts-in-psychiatry-demonstrated-with-bipolar-disorder
#4
REVIEW
David G Angeler, Craig R Allen, Maj-Liz Persson
BACKGROUND: The term resilience describes stress-response patterns of subjects across scientific disciplines. In ecology, advances have been made to clearly distinguish resilience definitions based on underlying mechanistic assumptions. Engineering resilience (rebound) is used for describing the ability of subjects to recover from adverse conditions (disturbances), and is the rate of recovery. In contrast, the ecological resilience definition considers a systemic change: when complex systems (including humans) respond to disturbances by reorganizing into a new regime (stable state) where structural and functional aspects have fundamentally changed relative to the prior regime...
February 9, 2018: International Journal of Bipolar Disorders
https://www.readbyqxmd.com/read/29423131/oscillatory-rhythm-of-reward-anticipation-and-processing-of-rewards-in-children-with-and-without-autism
#5
Katherine Kuhl-Meltzoff Stavropoulos, Leslie J Carver
Background: Autism spectrum disorder (ASD) is a complex neurodevelopmental condition, and multiple theories have emerged concerning core social deficits. While the social motivation hypothesis proposes that deficits in the social reward system cause individuals with ASD to engage less in social interaction, the overly intense world hypothesis (sensory over-responsivity) proposes that individuals with ASD find stimuli to be too intense and may have hypersensitivity to social interaction, leading them to avoid these interactions...
2018: Molecular Autism
https://www.readbyqxmd.com/read/29420010/lanthanide-directed-assembly-of-interfacial-coordination-architectures-from-complex-networks-to-functional-nanosystems
#6
David Écija, José I Urgel, Ari P Seitsonen, Willi Auwärter, Johannes V Barth
Metallo-supramolecular engineering on surfaces provides a powerful strategy toward low-dimensional coordination architectures with prospects for several application fields. To date, most efforts have relied on transition metal centers, and only recently did we pioneer lanthanide-directed assembly. Coordination spheres and motifs with rare-earth elements generally display distinct properties and structural features. The size of the cations and shielding role of the 4f orbitals induces high coordination numbers, frequently entailing flexible coordination geometries...
February 8, 2018: Accounts of Chemical Research
https://www.readbyqxmd.com/read/29412196/temperature-dependent-phase-evolution-of-copper-oxide-thin-films-on-au-111
#7
Christoph Möller, Hanna Fedderwitz, Claudine Noguera, Jacek Goniakowski, Niklas Nilius
The formation of ultrathin copper oxide layers on an Au(111) surface is explored with scanning tunneling microscopy and density functional theory. Depending on the thermal treatment of as-grown Cu-O samples, a variety of thin-film morphologies is observed. Whereas 1D oxide stripes with Au[112[combining macron]] and Au[11[combining macron]0] orientation emerge at 450 and 550 K annealing, respectively, a planar (2 × 2) Cu-O network with specific domain structure develops at higher temperature. The latter is ascribed to a Cu3O2 honeycomb lattice with oxygen ions alternatingly located in surface and interface positions...
February 7, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29391773/dry-eye-syndrome-developments-and-lifitegrast-in-perspective
#8
REVIEW
Ivonne V Lollett, Anat Galor
Dry eye (DE) is a chronic ocular condition with high prevalence and morbidity. It has a complex pathophysiology and is multifactorial in nature. Chronic ocular surface inflammation has emerged as a key component of DE that is capable of perpetuating ocular surface damage and leading to symptoms of ocular pain, discomfort, and visual phenomena. It begins with stress to the ocular surface leading to the production of proinflammatory mediators that induce maturation of resident antigen-presenting cells which then migrate to the lymph nodes to activate CD4 T cells...
2018: Clinical Ophthalmology
https://www.readbyqxmd.com/read/29388951/early-middle-palaeolithic-culture-in-india-around-385-172-ka-reframes-out-of-africa-models
#9
Kumar Akhilesh, Shanti Pappu, Haresh M Rajapara, Yanni Gunnell, Anil D Shukla, Ashok K Singhvi
Luminescence dating at the stratified prehistoric site of Attirampakkam, India, has shown that processes signifying the end of the Acheulian culture and the emergence of a Middle Palaeolithic culture occurred at 385 ± 64 thousand years ago (ka), much earlier than conventionally presumed for South Asia. The Middle Palaeolithic continued at Attirampakkam until 172 ± 41 ka. Chronologies of Middle Palaeolithic technologies in regions distant from Africa and Europe are crucial for testing theories about the origins and early evolution of these cultures, and for understanding their association with modern humans or archaic hominins, their links with preceding Acheulian cultures and the spread of Levallois lithic technologies...
January 31, 2018: Nature
https://www.readbyqxmd.com/read/29387793/supersaturated-calcium-carbonate-solutions-are-classical
#10
Katja Henzler, Evgenii O Fetisov, Mirza Galib, Marcel D Baer, Benjamin A Legg, Camelia Borca, Jacinta M Xto, Sonia Pin, John L Fulton, Gregory K Schenter, Niranjan Govind, J Ilja Siepmann, Christopher J Mundy, Thomas Huthwelker, James J De Yoreo
Mechanisms of CaCO3 nucleation from solutions that depend on multistage pathways and the existence of species far more complex than simple ions or ion pairs have recently been proposed. Herein, we provide a tightly coupled theoretical and experimental study on the pathways that precede the initial stages of CaCO3 nucleation. Starting from molecular simulations, we succeed in correctly predicting bulk thermodynamic quantities and experimental data, including equilibrium constants, titration curves, and detailed x-ray absorption spectra taken from the supersaturated CaCO3 solutions...
January 2018: Science Advances
https://www.readbyqxmd.com/read/29386561/hidden-geometries-in-networks-arising-from-cooperative-self-assembly
#11
Milovan Šuvakov, Miroslav Andjelković, Bosiljka Tadić
Multilevel self-assembly involving small structured groups of nano-particles provides new routes to development of functional materials with a sophisticated architecture. Apart from the inter-particle forces, the geometrical shapes and compatibility of the building blocks are decisive factors. Therefore, a comprehensive understanding of these processes is essential for the design of assemblies of desired properties. Here, we introduce a computational model for cooperative self-assembly with the simultaneous attachment of structured groups of particles, which can be described by simplexes (connected pairs, triangles, tetrahedrons and higher order cliques) to a growing network...
January 31, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29380477/thinking-about-complexity-in-health-a-systematic-review-of-the-key-systems-thinking-and-complexity-ideas-in-health
#12
Evan Rusoja, Deson Haynie, Jessica Sievers, Navonil Mustafee, Fred Nelson, Martin Reynolds, Eric Sarriot, Robert Chad Swanson, Bob Williams
RATIONALE, AIMS, AND OBJECTIVES: As the Sustainable Development Goals are rolled out worldwide, development leaders will be looking to the experiences of the past to improve implementation in the future. Systems thinking and complexity science (ST/CS) propose that health and the health system are composed of dynamic actors constantly evolving in response to each other and their context. While offering practical guidance for steering the next development agenda, there is no consensus as to how these important ideas are discussed in relation to health...
January 30, 2018: Journal of Evaluation in Clinical Practice
https://www.readbyqxmd.com/read/29378970/landau-ginzburg-theory-of-cortex-dynamics-scale-free-avalanches-emerge-at-the-edge-of-synchronization
#13
Serena di Santo, Pablo Villegas, Raffaella Burioni, Miguel A Muñoz
Understanding the origin, nature, and functional significance of complex patterns of neural activity, as recorded by diverse electrophysiological and neuroimaging techniques, is a central challenge in neuroscience. Such patterns include collective oscillations emerging out of neural synchronization as well as highly heterogeneous outbursts of activity interspersed by periods of quiescence, called "neuronal avalanches." Much debate has been generated about the possible scale invariance or criticality of such avalanches and its relevance for brain function...
January 29, 2018: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29373587/qualitative-analysis-of-the-dynamics-of-policy-design-and-implementation-in-hospital-funding-reform
#14
Karen S Palmer, Adalsteinn D Brown, Jenna M Evans, Husayn Marani, Kirstie K Russell, Danielle Martin, Noah M Ivers
BACKGROUND: As in many health care systems, some Canadian jurisdictions have begun shifting away from global hospital budgets. Payment for episodes of care has begun to be implemented. Starting in 2012, the Province of Ontario implemented hospital funding reforms comprising three elements: Global Budgets; Health Based Allocation Method (HBAM); and Quality-Based Procedures (QBP). This evaluation focuses on implementation of QBPs, a procedure/diagnosis-specific funding approach involving a pre-set price per episode of care coupled with best practice clinical pathways...
2018: PloS One
https://www.readbyqxmd.com/read/29369710/undecidability-and-irreducibility-conditions-for-open-ended-evolution-and-emergence
#15
Santiago Hernández-Orozco, Francisco Hernández-Quiroz, Hector Zenil
Is undecidability a requirement for open-ended evolution (OEE)? Using methods derived from algorithmic complexity theory, we propose robust computational definitions of open-ended evolution and the adaptability of computable dynamical systems. Within this framework, we show that decidability imposes absolute limits on the stable growth of complexity in computable dynamical systems. Conversely, systems that exhibit (strong) open-ended evolution must be undecidable, establishing undecidability as a requirement for such systems...
January 25, 2018: Artificial Life
https://www.readbyqxmd.com/read/29366516/evolving-ecosystems-inheritance-and-selection-in-the-light-of-the-microbiome
#16
REVIEW
Santiago Sandoval-Motta, Maximino Aldana, Alejandro Frank
The importance of microorganisms in human biology is undeniable. The amount of research that supports that microbes have a fundamental role in animal and plant physiology is substantial and increasing every year. Even though we are only beginning to comprehend the broadness and complexity of microbial communities, evolutionary theories need to be recast in the light of such discoveries to fully understand and incorporate the role of microbes in our evolution. Fundamental evolutionary concepts such as diversity, heredity, selection, speciation, etc...
January 20, 2018: Archives of Medical Research
https://www.readbyqxmd.com/read/29360688/theoretical-coalescence-a-method-to-develop-qualitative-theory-the-example-of-enduring
#17
Janice M Morse
BACKGROUND: Qualitative research is frequently context bound, lacks generalizability, and is limited in scope. OBJECTIVES: The purpose of this article was to describe a method, theoretical coalescence, that provides a strategy for analyzing complex, high-level concepts and for developing generalizable theory. Theoretical coalescence is a method of theoretical expansion, inductive inquiry, of theory development, that uses data (rather than themes, categories, and published extracts of data) as the primary source for analysis...
January 23, 2018: Nursing Research
https://www.readbyqxmd.com/read/29351176/technological-complexity-and-emergence-of-the-entanglement
#18
Thomas R Clancy
As systems evolve over time, their natural tendency is to become increasingly more complex. Studies in the field of complex systems have generated new perspectives on the application of management strategies in health systems. Much of this research appears as a natural extension of the cross-disciplinary field of systems theory. This article is the 3rd in a series of articles that focus on why technological complexity is increasing and strategies nurse administrators can use to successfully implement change in the face of it...
February 2018: Journal of Nursing Administration
https://www.readbyqxmd.com/read/29347760/anomalies-in-the-equilibrium-and-nonequilibrium-properties-of-correlated-ions-in-complex-molecular-environments
#19
Sathiya Mahakrishnan, Subrata Chakraborty, Amrendra Vijay
Emergent statistical attributes, and therefore the equations of state, of an assembly of interacting charge carriers embedded within a complex molecular environment frequently exhibit a variety of anomalies, particularly in the high-density (equivalently, the concentration) regime, which are not well understood, because they do not fall under the low-concentration phenomenologies of Debye-Hückel-Onsager and Poisson-Nernst-Planck, including their variants. To go beyond, we here use physical concepts and mathematical tools from quantum scattering theory, transport theory with the Stosszahlansatz of Boltzmann, and classical electrodynamics (Lorentz gauge) and obtain analytical expressions both for the average and the frequency-wave vector-dependent longitudinal and transverse current densities, diffusion coefficient, and the charge density, and therefore the analytical expressions for (a) the chemical potential, activity coefficient, and the equivalent conductivity for strong electrolytes and (b) the current-voltage characteristics for ion-transport processes in complex molecular environments...
November 2017: Physical Review. E
https://www.readbyqxmd.com/read/29347574/emergence-of-biaxial-nematic-phases-in-solutions-of-semiflexible-dimers
#20
Arvin Vaghela, Paulo I C Teixeira, Eugene M Terentjev
We investigate the isotropic, uniaxial nematic and biaxial nematic phases, and the transitions between them, for a model lyotropic mixture of flexible molecules consisting of two rigid rods connected by a spacer with variable bending stiffness. We apply density-functional theory within the Onsager approximation to describe strictly excluded-volume interactions in this athermal model and to self-consistently find the orientational order parameters dictated by its complex symmetry, as functions of the density...
October 2017: Physical Review. E
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