Network theory

Precision-engineered light-triggered hydrogels are important for a diversity of applications. However, fields such as biomaterials require wavelength outside the harsh UV regime to prevent photodamage, typically requiring chromophores with extended p-conjugation that suffer from poor water solubility. Herein, we demonstrate how cyclodextrins can be used as auxiliary agents to not only solubilize such chromophores, but even to preorganize them in a 2:2 host-guest inclusion complex to facilitate photodimerization...

Two-dimensional conjugated organogold networks with anthra-tetrathiophene repeat units are synthesized by thermally activated debrominative coupling of 2,5,9,12-tetrabromoanthra[1,2- b :4,3- b ':5,6- b '':8,7- b ''']tetrathiophene (TBATT) precursor molecules on Au(111) surfaces under ultra-high vacuum (UHV) conditions. Performing the reaction on iodine-passivated Au(111) surfaces promotes formation of highly regular structures, as revealed by scanning tunneling microscopy (STM). In contrast, coupling on bare Au(111) surfaces results in less regular networks due to the simultaneous expression of competing intermolecular binding motifs in the absence of error correction...

Graphdiyne (GDY) is an appealing two-dimensional carbon material, but the on-surface synthesis of a single layer remains challenging. Demetalation of well-crystalline metal acetylide networks, though in its infancy, provides a new avenue to on-surface synthesized GDY substructures. In spite of the synthetic efforts and theoretical concerns, there are few reports steeped in elaborate characterization of the electronic influence of metalation. In this context, we focused on the surface supported Au- bis -acetylide network, which underwent demetalation after further annealing to form hydrogen-substituted GDY...

Spatially-resolved datasets are revolutionizing knowledge in molecular biology, yet are under-utilized for questions in evolutionary biology. To gain insight from these large-scale datasets of spatial organization, we need mathematical representations and modeling techniques that can both capture their complexity, but also allow for mathematical tractability. Evolutionary graph theory utilizes the mathematical representation of networks as a proxy for heterogeneous population structure and has started to reshape our understanding of how spatial structure can direct evolutionary dynamics...

MOTIVATION: Scientists world-wide are putting together massive efforts to understand how the biodiversity that we see on Earth evolved from single-cell organisms at the origin of life and this diversification process is represented through the Tree of Life. Low sampling rates and high heterogeneity in the rate of evolution across sites and lineages produce a phenomenon denoted "long branch attraction" (LBA) in which long nonsister lineages are estimated to be sisters regardless of their true evolutionary relationship...

Prior efforts have manifested that functional connectivity (FC) network disruptions are concerned with cognitive disorder in presbycusis. The present research was designed to investigate the topological reorganization and classification performance of low-order functional connectivity (LOFC) and high-order functional connectivity (HOFC) networks in patients with presbycusis. Resting-state functional magnetic resonance imaging (Rs-fMRI) data were obtained in 60 patients with presbycusis and 50 matched healthy control subjects (HCs)...

Recent integrative multilevel models offer novel insights into the etiology and course of neurodegenerative conditions. The predictive coding of allostatic-interoception theory posits that the brain adapts to environmental demands by modulating internal bodily signals through the allostatic-interoceptive system. Specifically, a domain-general allostatic-interoceptive network exerts adaptive physiological control by fine-tuning initial top-down predictions and bottom-up peripheral signaling. In this context, adequate adaptation implies the minimization of prediction errors thereby optimizing energy expenditure...

Dispersal evolution modifies diverse spatial processes, such as range expansions or biological invasions of single species, but we are currently lacking a realistic vision for metacommunities. Focusing on antagonistic species interactions, we review existing theory of dispersal evolution between natural enemies, and explain how this might be relevant for classic themes in host-parasite evolutionary ecology, namely virulence evolution or local adaptation. Specifically, we highlight the importance of considering the simultaneous (co)evolution of dispersal and interaction traits...

The joint toxicity effects of mixtures, particularly reproductive toxicity, one of the main causes of aquatic ecosystem degradation, are often overlooked as it is impractical to test all mixtures. This study developed and evaluated three types of models aiming to predict the concentration response curve concerning the joint reproductive toxicity of mixtures of three bisphenol analogues (BPA, BPF, BPAF) on the rotifer Brachionus calyciflorus: concentration addition (CA) and independent action (IA). Deep neural network models using the ratios of chemicals in mixtures as input variables (DNN-Ratio)...

Honey bees play a major role in crop pollination but have experienced declining health throughout most of the globe. Despite decades of research on key honey bee stressors (e.g., parasitic Varroa destructor mites and viruses), researchers cannot fully explain or predict colony mortality, potentially because it is caused by exposure to multiple interacting stressors in the field. Understanding which honey bee stressors co-occur and have the potential to interact is therefore of profound importance. Here, we used the emerging field of systems theory to characterize the stressor networks found in honey bee colonies after they were placed in fields containing economically valuable crops across Canada...

The development of new molecules for the treatment of calmodulin related cardiovascular or neurodegenerative diseases is an interesting goal. In this work, we introduce a novel strategy with four main steps: (1) chemical synthesis of target molecules, (2) Förster Resonance Energy Transfer (FRET) biosensor development and in vitro biological assay of new derivatives, (3) Cheminformatics models development and in vivo activity prediction, and (4) Docking studies. This strategy is illustrated with a case study...

BACKGROUND: Quality of life and care varies between and within the care homes in which almost half a million older people live and over half a million direct care staff (registered nurses and care assistants) work. The reasons are complex, understudied and sometimes oversimplified, but staff and their work are a significant influence. OBJECTIVE(S): To explore variations in the care home nursing and support workforce; how resident and relatives' needs in care homes are linked to care home staffing; how different staffing models impact on care quality, outcomes and costs; how workforce numbers, skill mix and stability meet residents' needs; the contributions of the care home workforce to enhancing quality of care; staff relationships as a platform for implementation by providers...

The role of tannins (TA), a well-known abundant and ecologically friendly chelating ligand, in metal capture has long been studied. Different kinds of TA-containing adsorbents are synthesized for uranium capture, while most adsorbents suffer from unfavorable adsorption kinetics. Herein, the design and preparation of a TA-containing 2D crosslinked network adsorbent (TANP) is reported. The ≈1.8-nanometer-thick TANP films curl up into micrometer-scale pores, which contribute to fast mass transfer and full exposure of active sites...

Protein dynamics involves a myriad of mechanical movements happening at different time and space scales, which make it highly complex. One of the less understood features of protein dynamics is subdiffusivity, defined as sublinear dependence between displacement and time. Here, we use all-atoms molecular dynamics (MD) simulations to directly interrogate an already well-established theory and demonstrate that subdiffusivity arises from the fractal nature of the network of metastable conformations over which the dynamics, thought of as a diffusion process, takes place...

We report on high-precision measurements that were performed with superconducting waveguide networks with the geometry of a tetrahedral and a honeycomb graph. They consist of junctions of valency three that connect straight rectangular waveguides of equal width but incommensurable lengths. The experiments were performed in the frequency range of a single transversal mode, where the associated Helmholtz equation is effectively one-dimensional and waveguide networks may serve as models of quantum graphs with the joints and waveguides corresponding to the vertices and bonds...

We present a comprehensive study on extracting conformal field theory data using tensor network methods, especially, from the fixed-point tensor of the linearized tensor renormalization group (lTRG) for the classical two-dimensional Ising model near the critical temperature. Utilizing two different methods, we extract operator scaling dimensions and operator product expansion coefficients by introducing defects on the lattice and by employing the fixed-point tensor. We also explore the effects of pointlike defects in the lattice on the coarse-graining process...

War and peace, spanning history, deeply affect society, economy, and individuals. Grasping their dynamics is vital to lessen harm and foster global peace. Yet, quantifying them remains hard. Our goal is to create a simple qualitative model using landscape and flux theory, exploring war and peace mechanisms. In this symmetric network, they appear as separate attraction basins, dynamically shifting. Analyzing landscape shape gives insights into global stability. Near critical points, indicators like cross correlations, autocorrelation times, and flickering frequency surge, as warnings...

Lithium-rich layer oxide cathodes are promising energy storage materials due to their high energy densities. However, the oxygen loss during cycling limits their practical applications. Here we reveal the essential role of Li content on the topological inhibition of oxygen loss in lithium-rich cathode materials, and the relationship between the migration networks of oxygen ions with the transition metal (TM) component. Utilizing first-principles calculations in combination with percolation theory and Monte Carlo simulations, we find that TM ions can effectively encage the oxidized oxygen species when the TM concentration in TM layer exceeds 5/6, thus hindering the formation of oxygen ion percolation network...

This article discusses the role of inhibition as a component of executive functions in metaphorical embodiment of concepts and explains some incongruent evidence for metaphorical embodiment. Some past works have explained the incongruent evidence for metaphorical embodiment of concepts on the basis of conventionality/novelty of metaphors. Based on theories of embodiment, when a word that refers to an object is used in its literal sense, all sensorimotor networks that are involved in perceiving the object are activated, and sensorimotor features of the object are embodied...

Neuroimaging studies have shown that the neural representation of imagery is closely related to the perception modality; however, the undeniable different experiences between perception and imagery indicate that there are obvious neural mechanism differences between them, which cannot be explained by the simple theory that imagery is a form of weak perception. Considering the importance of functional integration of brain regions in neural activities, we conducted correlation analysis of neural activity in brain regions jointly activated by auditory imagery and perception, and then brain functional connectivity (FC) networks were obtained with a consistent structure...