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https://www.readbyqxmd.com/read/28926941/why-ubiquitin-has-not-evolved
#1
Douglas C Allan, James C Phillips
Ubiquitin, discovered less than 50 years ago, tags thousands of diseased proteins for destruction. It is small (only 76 amino acids), and is found unchanged in mammals, birds, fish, and even worms, indicating that ubiquitin is perfect. Key features of its functionality are identified here using critical point thermodynamic scaling theory. These include synchronized pivots and hinges, a stabilizing central pivot, and Fano interference between first- and second-order elements of correlated long-range (allosteric) globular surface shape transitions...
September 16, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28926713/phase-separation-kinetics-of-dynamically-self-assembling-nanoparticles-with-toggled-interactions
#2
Zachary M Sherman, Helen Rosenthal, James W Swan
Ordered materials passively self-assembled from dispersions of nanoparticles with steady interactions are subject to thermodynamic constraints on their phase separation kinetics forcing a tradeoff between throughput and quality. Dynamically self-assembling dispersions whose interactions vary in a controlled way with time do not have these constraints and can rapidly form ordered structures while avoiding kinetic arrest. These out-of-equilibrium processes cannot be understood in terms of equilibrium thermodynamics or kinetic models derived from equilibrium thermodynamics, so new theories must be developed before dynamic self-assembly can be used to reliably fabricate nanomaterials...
September 19, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28926232/prediction-errors-of-molecular-machine-learning-models-lower-than-hybrid-dft-error
#3
Felix A Faber, Luke Hutchison, Bing Huang, Justin Gilmer, Samuel S Schoenholz, George E Dahl, Oriol Vinyals, Steven Kearnes, Patrick F Riley, O Anatole von Lilienfeld
We investigate the impact of choosing regres- sors and molecular representations for the construction of fast machine learning (ML) models of thirteen electronic ground-state properties of organic molecules. The performance of each regressor/representation/property combination is assessed using learning curves which report out- of-sample errors as a function of training set size with up to ∼118k distinct molecules. Molecular structures and properties at hybrid density functional theory (DFT) level of theory come from the QM9 database [Ramakrishnan et al, Scientific Data 1 140022 (2014)] and include enthalpies and free energies of atomization , HOMO/LUMO energies and gap, dipole moment, polarizability, zero point vibrational energy, heat capacity and the highest fundamental vibrational frequency...
September 19, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28926230/formation-and-characterization-of-hydrogen-boride-sheets-derived-from-mgb2-by-cation-exchange
#4
Hiroaki Nishino, Takeshi Fujita, Nguyen Thanh Cuong, Satoshi Tominaka, Masahiro Miyauchi, Soshi Iimura, Akihiko Hirata, Naoto Umezawa, Susumu Okada, Eiji Nishibori, Asahi Fujino, Tomohiro Fujimori, Shin-Ichi Ito, Junji Nakamura, Hideo Hosono, Takahiro Kondo
Two-dimensional (2D) materials are promising for applications in a wide range of fields because of their unique properties. Hydrogen boride sheets, a new 2D material recently predicted from theory, exhibit intriguing electronic and mechanical properties as well as hydrogen storage capacity. Here, we report the experimental realization of 2D hydrogen boride sheets with an empirical formula of H1B1, produced by exfoliation and complete ion-exchange between protons and magnesium cations in magnesium diboride (MgB2) with an average yield of 42...
September 19, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28926148/biodiversity-and-species-competition-regulate-the-resilience-of-microbial-biofilm-community
#5
Kai Feng, Zhaojing Zhang, Weiwei Cai, Wenzong Liu, Meiying Xu, Huaqun Yin, Aijie Wang, Zhili He, Ye Deng
The relationship between biodiversity and ecosystem stability is poorly understood in microbial communities. Biofilm communities in small bioreactors called microbial electrolysis cells (MEC) contain moderate species numbers and easy tractable functional traits, thus providing an ideal platform for verifying ecological theories in microbial ecosystems. Here, we investigated the resilience of biofilm communities with a gradient of diversity, and explored the relationship between biodiversity and stability in response to a pH shock...
September 19, 2017: Molecular Ecology
https://www.readbyqxmd.com/read/28922648/a-theoretical-and-empirical-modeling-of-anxiety-integrated-with-rdoc-and-temporal-dynamics
#6
Brandon Frank, Nicholas C Jacobson, Landon Hurley, Dean McKay
The newly launched Research Domain Criteria (RDoC) emphasize specific mechanisms over diagnostic categories of psychopathology. In our view, RDoC provides a useful heuristic for mental health disorders, but does not capture the complexity of psychological data when proposed mechanisms are viewed as static entities. However, temporal and complex system dynamics may advance RDoC's utility. By investigating temporal patterns within trajectories and the interaction of complex networks, we propose that dynamic modeling provides comprehensive methods with which to investigate the etiopathology and maintenance of mental health disorders...
September 8, 2017: Journal of Anxiety Disorders
https://www.readbyqxmd.com/read/28922129/dissipativity-and-synchronization-of-generalized-bam-neural-networks-with-multivariate-discontinuous-activations
#7
Dongshu Wang, Lihong Huang, Longkun Tang
This paper is concerned with the dissipativity and synchronization problems of a class of delayed bidirectional associative memory (BAM) neural networks in which neuron activations are modeled by discontinuous bivariate functions. First, the concept of the Filippov solution is extended to functional differential equations with discontinuous right-hand sides and mixed delays via functional differential inclusions. The global dissipativity of the Filippov solution to the considered BAM neural networks is proven using generalized Halanay inequalities and matrix measure approaches...
September 14, 2017: IEEE Transactions on Neural Networks and Learning Systems
https://www.readbyqxmd.com/read/28919944/network-analysis-on-attitudes-a-brief-tutorial
#8
Jonas Dalege, Denny Borsboom, Frenk van Harreveld, Han L J van der Maas
In this article, we provide a brief tutorial on the estimation, analysis, and simulation on attitude networks using the programming language R. We first discuss what a network is and subsequently show how one can estimate a regularized network on typical attitude data. For this, we use open-access data on the attitudes toward Barack Obama during the 2012 American presidential election. Second, we show how one can calculate standard network measures such as community structure, centrality, and connectivity on this estimated attitude network...
July 2017: Social Psychological and Personality Science
https://www.readbyqxmd.com/read/28919222/understanding-active-sampling-strategies-empirical-approaches-and-implications-for-attention-and-decision-research
#9
REVIEW
Jacqueline Gottlieb
In natural behavior we actively gather information using attention and active sensing behaviors (such as shifts of gaze) to sample relevant cues. However, while attention and decision making are naturally coordinated, in the laboratory they have been dissociated. Attention is studied independently of the actions it serves. Conversely, decision theories make the simplifying assumption that the relevant information is given, and do not attempt to describe how the decision maker may learn and implement active sampling policies...
August 24, 2017: Cortex; a Journal Devoted to the Study of the Nervous System and Behavior
https://www.readbyqxmd.com/read/28918464/what-s-next-in-complex-networks-capturing-the-concept-of-attacking-play-in-invasive-team-sports
#10
REVIEW
João Ramos, Rui J Lopes, Duarte Araújo
The evolution of performance analysis within sports sciences is tied to technology development and practitioner demands. However, how individual and collective patterns self-organize and interact in invasive team sports remains elusive. Social network analysis has been recently proposed to resolve some aspects of this problem, and has proven successful in capturing collective features resulting from the interactions between team members as well as a powerful communication tool. Despite these advances, some fundamental team sports concepts such as an attacking play have not been properly captured by the more common applications of social network analysis to team sports performance...
September 16, 2017: Sports Medicine
https://www.readbyqxmd.com/read/28918418/new-aspects-in-the-pathomechanism-of-diseases-of-civilization-particularly-psychosomatic-disorders-part-1-theoretical-background-of-a-hypothesis
#11
Andras Sikter, Zoltan Rihmer, Roberto de Guevara
The stress defence-cascade is mostly not biphasic as Cannon thought, the sympathicotonic stress response is preceded by a vagotonic phase called freeze response. Alteration of the carbon dioxide level plays an important role during defence-cascade as its changes interfere with stress hormones, e.g. with catecholamines, thus affecting the degree of arousal. In case of humans, learned behaviour dominates instead of instinctive, so the fight-or-flight often lags; the consequence can be persistent hypocapnia or hypercapnia...
June 2017: Neuropsychopharmacologia Hungarica
https://www.readbyqxmd.com/read/28914737/evidence-of-semantic-processing-impairments-in-behavioural-variant-frontotemporal-dementia-and-parkinson-s-disease
#12
Katheryn A Q Cousins, Murray Grossman
PURPOSE OF REVIEW: Category-specific impairments caused by brain damage can provide important insights into how semantic concepts are organized in the brain. Recent research has demonstrated that disease to sensory and motor cortices can impair perceptual feature knowledge important to the representation of semantic concepts. This evidence supports the grounded cognition theory of semantics, the view that lexical knowledge is partially grounded in perceptual experience and that sensory and motor regions support semantic representations...
September 13, 2017: Current Opinion in Neurology
https://www.readbyqxmd.com/read/28914733/metabolic-connectivity-methods-and-applications
#13
Igor Yakushev, Alexander Drzezga, Christian Habeck
PURPOSE OF REVIEW: Metabolic connectivity modelling aims to detect functionally interacting brain regions based on PET recordings with the glucose analogue [F]fluorodeoxyglucose (FDG). Here, we outline the most popular metabolic connectivity methods and summarize recent applications in clinical and basic neuroscience. RECENT FINDINGS: Metabolic connectivity is modelled by various methods including a seed correlation, sparse inverse covariance estimation, independent component analysis and graph theory...
September 13, 2017: Current Opinion in Neurology
https://www.readbyqxmd.com/read/28914161/a-net-of-friends-investigating-friendship-by-integrating-attachment-theory-and-social-network-analysis
#14
Omri Gillath, Gery C Karantzas, Emre Selcuk
The current article focuses on attachment style-an individual difference widely studied in the field of close relationships-and its application to the study of social networks. Specifically, we investigated whether attachment style predicts perception and management of social networks. In Study 1, we examined the associations of attachment style with perceptions of network tie strength and multiplexity. In Studies 2a and 2b, we investigated the association between attachment style and network management skills (initiating, maintaining, and dissolving ties) and whether network management skills mediated the associations of attachment style with network tie strength and multiplexity...
July 1, 2017: Personality & Social Psychology Bulletin
https://www.readbyqxmd.com/read/28913812/theory-of-liquid-crystal-elastomers-and-polymer-networks-connection-between-neoclassical-theory-and-differential-geometry
#15
Thanh-Son Nguyen, Jonathan V Selinger
In liquid crystal elastomers and polymer networks, the orientational order of liquid crystals is coupled with elastic distortions of crosslinked polymers. Previous theoretical research has described these materials through two different approaches: a neoclassical theory based on the liquid crystal director and the deformation gradient tensor, and a geometric elasticity theory based on the difference between the actual metric tensor and a reference metric. Here, we connect those two approaches using a formalism based on differential geometry...
September 2017: European Physical Journal. E, Soft Matter
https://www.readbyqxmd.com/read/28913777/diabetes-and-the-small-intestine
#16
REVIEW
Jonathan Gotfried, Stephen Priest, Ron Schey
Diabetes mellitus (DM) and its associated complications are becoming increasingly prevalent. Gastrointestinal symptoms associated with diabetes is known as diabetic enteropathy (DE) and may manifest as either diarrhea, fecal incontinence, constipation, dyspepsia, nausea, and vomiting or a combination of symptoms. The long-held belief that vagal autonomic neuropathy is the primary cause of DE has recently been challenged by newer theories of disease development. Specifically, hyperglycemia and the resulting oxidative stress on neural networks, including the nitrergic neurons and interstitial cells of Cajal (ICC), are now believed to play a central role in the development of DE...
September 15, 2017: Current Treatment Options in Gastroenterology
https://www.readbyqxmd.com/read/28913535/stepwise-microhydration-of-aromatic-amide-cations-water-solvation-networks-revealed-by-the-infrared-spectra-of-acetanilide-h2o-n-clusters-n-%C3%A2-3
#17
Johanna Klyne, Matthias Schmies, Mitsuhiko Miyazaki, Masaaki Fujii, Otto Dopfer
The structure and activity of peptides and proteins strongly rely on their charge state and the interaction with their hydration environment. Here, infrared photodissociation (IRPD) spectra of size-selected microhydrated clusters of cationic acetanilide (AA(+), N-phenylacetamide), AA(+)-(H2O)n with n ≤ 3, are analysed by dispersion-corrected density functional theory calculations at the ωB97X-D/aug-cc-pVTZ level to determine the stepwise microhydration process of this aromatic peptide model. The IRPD spectra are recorded in the informative X-H stretch (νOH, νNH, νCH, amide A, 2800-3800 cm(-1)) and fingerprint (amide I-II, 1000-1900 cm(-1)) ranges to probe the preferred hydration motifs and the cluster growth...
September 15, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28913421/curvature-and-rho-activation-differentially-control-the-alignment-of-cells-and-stress-fibers
#18
Nathan D Bade, Randall D Kamien, Richard K Assoian, Kathleen J Stebe
In vivo, cells respond to a host of physical cues ranging from substrate stiffness to the organization of micro- and nanoscale fibrous networks. We show that macroscale substrates with radii of curvature from tens to hundreds of micrometers influence cell alignment. In a model system of fibroblasts, isolated cells aligned strongly in the axial direction on cylinders with radii similar to the cell length and more weakly on cylinders of much larger radius. Isolated vascular smooth muscle cells did not align as effectively as fibroblasts...
September 2017: Science Advances
https://www.readbyqxmd.com/read/28912706/dynamic-neural-fields-with-intrinsic-plasticity
#19
Claudius Strub, Gregor Schöner, Florentin Wörgötter, Yulia Sandamirskaya
Dynamic neural fields (DNFs) are dynamical systems models that approximate the activity of large, homogeneous, and recurrently connected neural networks based on a mean field approach. Within dynamic field theory, the DNFs have been used as building blocks in architectures to model sensorimotor embedding of cognitive processes. Typically, the parameters of a DNF in an architecture are manually tuned in order to achieve a specific dynamic behavior (e.g., decision making, selection, or working memory) for a given input pattern...
2017: Frontiers in Computational Neuroscience
https://www.readbyqxmd.com/read/28912694/from-cortical-blindness-to-conscious-visual-perception-theories-on-neuronal-networks-and-visual-training-strategies
#20
REVIEW
Vanessa Hadid, Franco Lepore
Homonymous hemianopia (HH) is the most common cortical visual impairment leading to blindness in the contralateral hemifield. It is associated with many inconveniences and daily restrictions such as exploration and visual orientation difficulties. However, patients with HH can preserve the remarkable ability to unconsciously perceive visual stimuli presented in their blindfield, a phenomenon known as blindsight. Unfortunately, the nature of this captivating residual ability is still misunderstood and the rehabilitation strategies in terms of visual training have been insufficiently exploited...
2017: Frontiers in Systems Neuroscience
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