NMR Line Shapes and Multi-State Binding Equilibria

Biological function of proteins relies on conformational transitions and binding of specific ligands. Protein-ligand interactions are thermodynamically and kinetically coupled to conformational changes in protein structures as conceptualized by the models of pre-existing equilibria and induced fit. NMR spectroscopy is particularly sensitive to complex ligand-binding modes—NMR line-shape analysis can provide for thermodynamic and kinetic constants of ligand-binding equilibria with the site-specific resolution. However, broad use of line shape analysis is hampered by complexity of NMR line shapes in multi-state systems. To facilitate interpretation of such spectral patterns, I computationally explored systems where isomerization or dimerization of a protein (receptor) molecule is coupled to binding of a ligand. Through an extensive analysis of multiple exchange regimes for a family of three-state models, I identified signature features to guide an NMR experimentalist in recognizing specific interaction mechanisms. Results also show that distinct multistate models may produce very similar spectral patterns. I also discussed aggregation of a receptor as a possible source of spurious three-state line shapes and provided specific suggestions for complementary experiments that can ensure reliable mechanistic insight

Information decomposition of multichannel EMG to map functional interactions in the distributed motor system

The central nervous system needs to coordinate multiple muscles during postural control. Functional coordination is established through the neural circuitry that interconnects different muscles. Here we used multivariate information decomposition of multichannel EMG acquired from 14 healthy participants during postural tasks to investigate the neural interactions between muscles. A set of information measures were estimated from an instantaneous linear regression model and a time-lagged VAR model fitted to the EMG envelopes of 36 muscles. We used network analysis to quantify the structure of functional interactions between muscles and compared them across experimental conditions. Conditional mutual information and transfer entropy revealed sparse networks dominated by local connections between muscles. We observed significant changes in muscle networks across postural tasks localized to the muscles involved in performing those tasks. Information decomposition revealed distinct patterns in task-related changes: unimanual and bimanual pointing were associated with reduced transfer to the pectoralis major muscles, but an increase in total information compared to no pointing, while postural instability resulted in increased information, information transfer and information storage in the abductor longus muscles compared to normal stability. These findings show robust patterns of directed interactions between muscles that are task-dependent and can be assessed from surface EMG recorded during static postural tasks. We discuss directed muscle networks in terms of the neural circuitry involved in generating muscle activity and suggest that task-related effects may reflect gain modulations of spinal reflex pathways

Intercultural New Media Studies: The Next Frontier in intercultural Communication

New media (ICT\u27s) are transforming communication across cultures. Despite this revolution in cross cultural contact, communication researchers have largely ignored the impact of new media on intercultural communication. This groundbreaking article defines the parameters of a new field of inquiry called Intercultural New Media Studies (INMS), which explores the intersection between ICT\u27s and intercultural communication. Composed of two research areas—(1) new media and intercultural communication theory and (2) culture and new media—INMS investigates new digital theories of intercultural contact as well as refines and expands twentieth-century intercultural communication theories, examining their salience in a digital world. INMS promises to increase our understanding of intercultural communication in a new media age and is the next frontier in intercultural communication

Operationalizing the circular city model for naples' city-port: A hybrid development strategy

The city-port context involves a decisive reality for the economic development of territories and nations, capable of significantly influencing the conditions of well-being and quality of life, and of making the Circular City Model (CCM) operational, preserving and enhancing seas and marine resources in a sustainable way. This can be achieved through the construction of appropriate production and consumption models, with attention to relations with the urban and territorial system. This paper presents an adaptive decision-making process for Naples (Italy) commercial port's development strategies, aimed at re-establishing a sustainable city-port relationship and making Circular Economy (CE) principles operative. The approach has aimed at implementing a CCM by operationalizing European recommendations provided within both the Sustainable Development Goals (SDGs) framework-specifically focusing on goals 9, 11 and 12-and the Maritime Spatial Planning European Directive 2014/89, to face conflicts about the overlapping areas of the city-port through multidimensional evaluations' principles and tools. In this perspective, a four-step methodological framework has been structured applying a place-based approach with mixed evaluation methods, eliciting soft and hard knowledge domains, which have been expressed and assessed by a core set of Sustainability Indicators (SI), linked to SDGs. The contribution outcomes have been centred on the assessment of three design alternatives for the East Naples port and the development of a hybrid regeneration scenario consistent with CE and sustainability principles. The structured decision-making process has allowed us to test how an adaptive approach can expand the knowledge base underpinning policy design and decisions to achieve better outcomes and cultivate a broad civic and technical engagement, that can enhance the legitimacy and transparency of policies

Mesoscale mapping of sediment source hotspots for dam sediment management in data-sparse semi-arid catchments

Land degradation and water availability in semi-arid regions are interdependent challenges for management that are influenced by climatic and anthropogenic changes. Erosion and high sediment loads in rivers cause reservoir siltation and decrease storage capacity, which pose risk on water security for citizens, agriculture, and industry. In regions where resources for management are limited, identifying spatial-temporal variability of sediment sources is crucial to decrease siltation. Despite widespread availability of rigorous methods, approaches simplifying spatial and temporal variability of erosion are often inappropriately applied to very data sparse semi-arid regions. In this work, we review existing approaches for mapping erosional hotspots, and provide an example of spatial-temporal mapping approach in two case study regions. The barriers limiting data availability and their effects on erosion mapping methods, their validation, and resulting prioritization of leverage management areas are discussed.BMBF, 02WGR1421A-I, GROW - Verbundprojekt SaWaM: Saisonales Wasserressourcen-Management in Trockenregionen: Praxistransfer regionalisierter globaler Informationen, Teilprojekt 1DFG, 414044773, Open Access Publizieren 2019 - 2020 / Technische Universität Berli

Systemic intervention for computer-supported collaborative learning

This paper presents a systemic intervention approach as a means to overcome the methodological challenges involved in research into computer-supported collaborative learning applied to the promotion of mathematical problem-solving (CSCL-MPS) skills in schools. These challenges include how to develop an integrated analysis of several aspects of the learning process; and how to reflect on learning purposes, the context of application and participants' identities. The focus of systemic intervention is on processes for thinking through whose views and what issues and values should be considered pertinent in an analysis. Systemic intervention also advocates mixing methods from different traditions to address the purposes of multiple stakeholders. Consequently, a design for CSCL-MPS research is presented that includes several methods. This methodological design is used to analyse and reflect upon both a CSCL-MPS project with Colombian schools, and the identities of the participants in that project

Multimedia delivery in the future internet

The term “Networked Media” implies that all kinds of media including text, image, 3D graphics, audio and video are produced, distributed, shared, managed and consumed on-line through various networks, like the Internet, Fiber, WiFi, WiMAX, GPRS, 3G and so on, in a convergent manner [1]. This white paper is the contribution of the Media Delivery Platform (MDP) cluster and aims to cover the Networked challenges of the Networked Media in the transition to the Future of the Internet. Internet has evolved and changed the way we work and live. End users of the Internet have been confronted with a bewildering range of media, services and applications and of technological innovations concerning media formats, wireless networks, terminal types and capabilities. And there is little evidence that the pace of this innovation is slowing. Today, over one billion of users access the Internet on regular basis, more than 100 million users have downloaded at least one (multi)media file and over 47 millions of them do so regularly, searching in more than 160 Exabytes1 of content. In the near future these numbers are expected to exponentially rise. It is expected that the Internet content will be increased by at least a factor of 6, rising to more than 990 Exabytes before 2012, fuelled mainly by the users themselves. Moreover, it is envisaged that in a near- to mid-term future, the Internet will provide the means to share and distribute (new) multimedia content and services with superior quality and striking flexibility, in a trusted and personalized way, improving citizens’ quality of life, working conditions, edutainment and safety. In this evolving environment, new transport protocols, new multimedia encoding schemes, cross-layer inthe network adaptation, machine-to-machine communication (including RFIDs), rich 3D content as well as community networks and the use of peer-to-peer (P2P) overlays are expected to generate new models of interaction and cooperation, and be able to support enhanced perceived quality-of-experience (PQoE) and innovative applications “on the move”, like virtual collaboration environments, personalised services/ media, virtual sport groups, on-line gaming, edutainment. In this context, the interaction with content combined with interactive/multimedia search capabilities across distributed repositories, opportunistic P2P networks and the dynamic adaptation to the characteristics of diverse mobile terminals are expected to contribute towards such a vision. Based on work that has taken place in a number of EC co-funded projects, in Framework Program 6 (FP6) and Framework Program 7 (FP7), a group of experts and technology visionaries have voluntarily contributed in this white paper aiming to describe the status, the state-of-the art, the challenges and the way ahead in the area of Content Aware media delivery platforms