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https://www.readbyqxmd.com/read/28922664/patchy-particles-made-by-colloidal-fusion
#1
Zhe Gong, Theodore Hueckel, Gi-Ra Yi, Stefano Sacanna
Patches on the surfaces of colloidal particles provide directional information that enables the self-assembly of the particles into higher-order structures. Although computational tools can make quantitative predictions and can generate design rules that link the patch motif of a particle to its internal microstructure and to the emergent properties of the self-assembled materials, the experimental realization of model systems of particles with surface patches (or 'patchy' particles) remains a challenge. Synthetic patchy colloidal particles are often poor geometric approximations of the digital building blocks used in simulations and can only rarely be manufactured in sufficiently high yields to be routinely used as experimental model systems...
September 18, 2017: Nature
https://www.readbyqxmd.com/read/28922651/evaluating-the-effect-of-smoking-cessation-treatment-on-a-complex-dynamical-system
#2
Korkut Bekiroglu, Michael A Russell, Constantino M Lagoa, Stephanie T Lanza, Megan E Piper
OBJECTIVE: To understand the dynamic relations among tobacco withdrawal symptoms to inform the development of effective smoking cessation treatments. Dynamical system models from control engineering are introduced and utilized to evaluate complex treatment effects. We demonstrate how dynamical models can be used to examine how distinct withdrawal-related processes are related over time and how treatment influences these relations. METHOD: Intensive longitudinal data from a randomized placebo-controlled smoking cessation trial (N=1504) are used to estimate a dynamical model of withdrawal-related processes including momentary craving, negative affect, quitting self-efficacy, and cessation fatigue for each of six treatment conditions (nicotine patch, nicotine lozenge, bupropion, patch + lozenge, bupropion + lozenge, and placebo)...
August 25, 2017: Drug and Alcohol Dependence
https://www.readbyqxmd.com/read/28922648/a-theoretical-and-empirical-modeling-of-anxiety-integrated-with-rdoc-and-temporal-dynamics
#3
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/28922513/purpose-processes-partnerships-and-products-4ps-to-advance-participatory-socio-environmental-modeling
#4
Steven Gray, Alexey Voinov, Michael Paolisso, Rebecca Jordan, Todd BenDor, Pierre Bommel, Pierre Glynn, Beatrice Hedelin, Klaus Hubacek, Josh Introne, Nagesh Kolagani, Bethany Laursen, Christina Prell, Laura Schmitt-Olabisi, Alison Singer, Eleanor Sterling, Moira Zellner
Including stakeholders in environmental model building and analysis is an increasingly popular approach to understanding ecological change. This is because stakeholders often hold valuable knowledge about socio-environmental dynamics and collaborative forms of modeling produce important boundary objects used to collectively reason about environmental problems. Although the number of participatory modeling (PM) case studies and the number of researchers adopting these approaches has grown in recent years, the lack of standardized reporting and limited reproducibility have prevented PM's establishment and advancement as a cohesive field of study...
September 18, 2017: Ecological Applications: a Publication of the Ecological Society of America
https://www.readbyqxmd.com/read/28922391/impedance-biosensor-for-real-time-monitoring-and-prediction-of-thrombotic-individual-profile-in-flowing-blood
#5
Denise De Zanet, Monica Battiston, Elisabetta Lombardi, Ruben Specogna, Francesco Trevisan, Luigi De Marco, Antonio Affanni, Mario Mazzucato
A new biosensor for the real-time analysis of thrombus formation is reported. The fast and accurate monitoring of the individual thrombotic risk represents a challenge in cardiovascular diagnostics and in treatment of hemostatic diseases. Thrombus volume, as representative index of the related thrombotic status, is usually estimated with confocal microscope at the end of each in vitro experiment, without providing a useful behavioral information of the biological sample such as platelets adhesion and aggregation in flowing blood...
2017: PloS One
https://www.readbyqxmd.com/read/28922381/the-operation-of-a-research-and-development-r-d-program-and-its-significance-for-practice-change-in-community-pharmacy
#6
Andi Hermansyah, Erica Sainsbury, Ines Krass
BACKGROUND: Community pharmacy practice in Australia is changing and Research and Development (R&D) in community pharmacy plays an important role in contributing to the changes. A range of Cognitive Pharmacy Services (CPS) were developed from R&D programs, yet their implementation has been minimal indicating slow practice change within community pharmacy. Given the vital role of R&D, little is known about the operation and the extent to which it has been effective in supporting practice change in community pharmacy...
2017: PloS One
https://www.readbyqxmd.com/read/28922354/reconstructing-promoter-activity-from-lux-bioluminescent-reporters
#7
Mudassar Iqbal, Neil Doherty, Anna M L Page, Saara N A Qazi, Ishan Ajmera, Peter A Lund, Theodore Kypraios, David J Scott, Philip J Hill, Dov J Stekel
The bacterial Lux system is used as a gene expression reporter. It is fast, sensitive and non-destructive, enabling high frequency measurements. Originally developed for bacterial cells, it has also been adapted for eukaryotic cells, and can be used for whole cell biosensors, or in real time with live animals without the need for euthanasia. However, correct interpretation of bioluminescent data is limited: the bioluminescence is different from gene expression because of nonlinear molecular and enzyme dynamics of the Lux system...
September 18, 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28922353/synthesizing-developmental-trajectories
#8
Paul Villoutreix, Joakim Andén, Bomyi Lim, Hang Lu, Ioannis G Kevrekidis, Amit Singer, Stanislav Y Shvartsman
Dynamical processes in biology are studied using an ever-increasing number of techniques, each of which brings out unique features of the system. One of the current challenges is to develop systematic approaches for fusing heterogeneous datasets into an integrated view of multivariable dynamics. We demonstrate that heterogeneous data fusion can be successfully implemented within a semi-supervised learning framework that exploits the intrinsic geometry of high-dimensional datasets. We illustrate our approach using a dataset from studies of pattern formation in Drosophila...
September 18, 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28922165/the-gastrointestinal-brain-axis-in-humans-as-an-evolutionary-advance-of-the-root-leaf-axis-in-plants-a-hypothesis-linking-quantum-effects-of-light-on-serotonin-and-auxin
#9
Lucio Tonello, Bekim Gashi, Alessandro Scuotto, Glenda Capello, Massimo Cocchi, Fabio Gabrielli, Jack A Tuszynski
Living organisms tend to find viable strategies under ambient conditions that optimize their search for, and utilization of, life-sustaining resources. For plants, a leading role in this process is performed by auxin, a plant hormone that drives morphological development, dynamics, and movement to optimize the absorption of light (through branches and leaves) and chemical "food" (through roots). Similarly to auxin in plants, serotonin seems to play an important role in higher animals, especially humans. Here, it is proposed that morphological and functional similarities between (i) plant leaves and the animal/human brain and (ii) plant roots and the animal/human gastro-intestinal tract have general features in common...
September 15, 2017: Journal of Integrative Neuroscience
https://www.readbyqxmd.com/read/28922137/finite-time-synchronization-of-networks-via-quantized-intermittent-pinning-control
#10
Chen Xu, Xinsong Yang, Jianquan Lu, Jianwen Feng, Fuad E Alsaadi, Tasawar Hayat
This technical correspondence considers finite-time synchronization of dynamical networks by designing aperiodically intermittent pinning controllers with logarithmic quantization. The control scheme can greatly reduce control cost and save both communication channels and bandwidth. By using multiple Lyapunov functions and convex combination techniques, sufficient conditions formulated by a set of linear matrix inequalities are derived to guarantee that all the node systems are synchronized with an isolated trajectory in a finite settling time...
September 18, 2017: IEEE Transactions on Cybernetics
https://www.readbyqxmd.com/read/28922136/reaching-non-negative-edge-consensus-of-networked-dynamical-systems
#11
Xiao Ling Wang, Housheng Su, Michael Z Q Chen, Xiao Fan Wang, Guanrong Chen
In this paper, the problem of non-negative edge consensus of undirected networked linear time-invariant systems is addressed by associating each edge of the network with a state variable, for which a distributed algorithm is constructed. Sufficient conditions referring only to the number of edges are derived for non-negative edge consensus of the networked systems. Subsequently, the linear programming method and a low-gain feedback technique are introduced to simplify the design of the feedback gain matrix for achieving the non-negative edge consensus...
September 18, 2017: IEEE Transactions on Cybernetics
https://www.readbyqxmd.com/read/28922115/colour-constancy-beyond-the-classical-receptive-field
#12
Arash Akbarinia, C Alejandro Parraga
The problem of removing illuminant variations to preserve the colours of objects (colour constancy) has already been solved by the human brain using mechanisms that rely largely on centre-surround computations of local contrast. In this paper we adopt some of these biological solutions described by long known physiological findings into a simple, fully automatic, functional model (termed Adaptive Surround Modulation or ASM). In ASM, the size of a visual neuron's receptive field (RF) as well as the relationship with its surround varies according to the local contrast within the stimulus, which in turn determines the nature of the centre-surround normalisation of cortical neurons higher up in the processing chain...
September 18, 2017: IEEE Transactions on Pattern Analysis and Machine Intelligence
https://www.readbyqxmd.com/read/28921997/simulating-drinking-in-social-networks-to-inform-alcohol-prevention-and-treatment-efforts
#13
Kevin A Hallgren, Barbara S McCrady, Thomas P Caudell, Katie Witkiewitz, J Scott Tonigan
Adolescent drinking influences, and is influenced by, peer alcohol use. Several efficacious adolescent alcohol interventions include elements aimed at reducing susceptibility to peer influence. Modeling these interventions within dynamically changing social networks may improve our understanding of how such interventions work and for whom they work best. We used stochastic actor-based models to simulate longitudinal drinking and friendship formation within social networks using parameters obtained from a meta-analysis of real-world 10th grade adolescent social networks...
September 18, 2017: Psychology of Addictive Behaviors: Journal of the Society of Psychologists in Addictive Behaviors
https://www.readbyqxmd.com/read/28921986/combining-density-functional-theory-and-green-s-function-theory-range-separated-nonlocal-dynamic-and-orbital-dependent-hybrid-functional
#14
Alexei A Kananenka, Dominika Zgid
We present a rigorous framework which combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short- and long-range components. Short-range contribution to the total energy and exchange-correlation potential is provided by a density functional approximation, while the long-range contribution is calculated using an explicit many-body Green's function method. Such a hybrid results in a nonlocal, dynamic, and orbital-dependent exchange-correlation functional of a single-particle Green's function...
September 18, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28921977/photoinduced-bimolecular-electron-transfer-in-ionic-liquids
#15
Boning Wu, Mark Maroncelli, Edward W Castner
The present work seeks to better understand the role of solute diffusion and solvation dynamics on bimolecular electron transfer in ionic liquids (ILs). Steady-state and time-resolved measurements of the reductive fluorescence quenching of five fluorophores ("F") by six quenchers ("Q"; electron donors) are reported in acetonitrile and two ionic liquids, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide and trihexyl(tetradecyl)phosphonium bis(trifluoromethylsulfonyl)amide. Data were collected on 66 different F-Q-solvent systems, which span a 2...
September 18, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28921975/intricacies-of-van-der-waals-interactions-in-systems-with-elongated-bonds-revealed-by-electron-groups-embedding-and-high-level-coupled-cluster-approaches
#16
Ewa Pastorczak, Jun Shen, Michal Hapka, Piotr Piecuch, Katarzyna Pernal
Non-covalent interactions between molecules with stretched intramonomer covalent bonds are a fascinating, yet little studied area. This shortage of information stems largely from the inability of most of the commonly used computational quantum chemistry methods to accurately describe weak long-range and strong non-dynamic correlations at the same time. In this work, we propose a geminal-based approach, abbreviated as EERPA-GVB, capable of describing such systems in a robust manner using relatively inexpensive computational steps...
September 18, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28921974/the-hydrophobic-effect-and-the-role-of-cosolvents
#17
Nico F A van der Vegt, Divya Nayar
Cosolvents modulate aqueous solubility, hydrophobic interactions, and the stability and function of most proteins in the living cell. Our molecular-level understanding of cosolvent effects is incomplete, not only at the level of complex systems such as proteins, but also at the level of very fundamental interactions that underlie the hydrophobic effect. This Feature Article discusses cosolvent effects on the aqueous solubility of nonpolar solutes, hydrophobic interactions, and hydrophobic self-assembly/collapse of aqueous polymers, recently studied with molecular dynamics simulations...
September 18, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28921952/nano-air-seeds-trapped-in-mesoporous-janus-nanoparticles-facilitate-cavitation-and-enhance-ultrasound-imaging
#18
Konstantin Tamarov, Andrey Sviridov, Wujun Xu, Markus Malo, Valery Andreev, Victor Yu Timoshenko, Vesa-Pekka Lehto
The current contrast agents utilized in ultrasound (US) imaging are based on microbubbles which, however, suffer from a short lifetime in the systemic circulation. The present study introduces a new type of contrast agents for US imaging based on bioresorbable Janus nanoparticles (NPs) that are able to generate microbubbles in situ under US radiation for extended time. The Janus NPs were fabricated from porous silicon (PSi) that was modified via a nanostopper technique. The technique was exploited to prepare PSi NPs which had hydrophobic pore walls (inner face) while the external surfaces of the NPs (outer face) were hydrophilic...
September 18, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28921943/self-assembly-of-mesoscale-artificial-clathrin-mimics
#19
Yifan Kong, Mina-Elraheb S Hanna, Denys Zhuo, Katherine G Chang, Tara Bozorg-Grayeli, Nicholas A Melosh
Fluidic control and sampling in complex environments is an important process in biotechnology, materials synthesis, and microfluidics. An elegant solution to this problem has evolved in nature through cellular endocytosis, where the dynamic recruitment, self-assembly, and spherical budding of clathrin proteins allows cells to sample their external environment. Yet despite the importance and utility of endocytosis, artificial systems which can replicate this dynamic behavior have not been developed. Guided by clathrin's unusual structure, we created simplified metallic microparticles that capture the three-legged shape, particle curvature, and interfacial attachment characteristics of clathrin...
September 18, 2017: ACS Nano
https://www.readbyqxmd.com/read/28921859/trophic-interaction-modifications-an-empirical-and-theoretical-framework
#20
J Christopher D Terry, Rebecca J Morris, Michael B Bonsall
Consumer-resource interactions are often influenced by other species in the community. At present these 'trophic interaction modifications' are rarely included in ecological models despite demonstrations that they can drive system dynamics. Here, we advocate and extend an approach that has the potential to unite and represent this key group of non-trophic interactions by emphasising the change to trophic interactions induced by modifying species. We highlight the opportunities this approach brings in comparison to frameworks that coerce trophic interaction modifications into pairwise relationships...
October 2017: Ecology Letters
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