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Structure-Based Drug Design for Diagnosis and Treatment of Neurological Diseases

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Book Series: Frontiers Research Topics ISSN: 16648714 ISBN: 9782889451234 Year: Pages: 204 DOI: 10.3389/978-2-88945-123-4 Language: English
Publisher: Frontiers Media SA
Subject: Therapeutics --- Neurology --- Science (General)
Added to DOAB on : 2017-07-06 13:27:36
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European Cooperation in Science and Technology (COST) supports the collaboration of nationally-funded science and technology research through the creation of networks. COST is the longest-running European framework enhancing cooperation among researchers, engineers and scholars across Europe. The COST Action CM1103 “Structure-based drug design for diagnosis and treatment of neurological diseases: dissecting and modulating complex function in the monoaminergic systems of the brain” is a good example of the advances possible through interdisciplinary collaboration on difficult problems. COST Action CM1103 brought together 28 research groups from 18 countries to collaborate for four years on multi-target drug design for complex neuropathologies. The interdisciplinary expertise of the members is spans the range from computational enzymology to human studies, providing outstanding opportunities for the interdisciplinary development of trainees, and is reflected in the articles in this e-book. This Research Topic covers progress in multi-target drug design for the complex neuropathologies of the monoamine system that are apparent, for example, in Alzheimer’s disease. After a mini-review to introduce the topic of multi-target drug design, the other articles review the Research topic from their own perspective, two from computational approaches, three from medicinal chemistry, two from molecular pharmacology, and two from studies in whole brain. This multi-faceted approach describes new compounds, new methodology, and advances in the basic science of understanding the brain. This Ebook is based upon work from COST Action (CM1103 “Structure-based drug design for diagnosis and treatment of neurological diseases: dissecting and modulating complex function in the monoaminergic systems of the brain"), supported by COST (European Cooperation in Science and Technology). COST (European Cooperation in Science and Technology) is a pan-European intergovernmental framework. Its mission is to enable break-through scientific and technological developments leading to new concepts and products and thereby contribute to strengthening Europe’s research and innovation capacities. It allows researchers, engineers and scholars to jointly develop their own ideas and take new initiatives across all fields of science and technology, while promoting multi- and interdisciplinary approaches. COST aims at fostering a better integration of less research intensive countries to the knowledge hubs of the European Research Area. The COST Association, an International not-for-profit Association under Belgian Law, integrates all management, governing and administrative functions necessary for the operation of the framework. The COST Association has currently 36 Member Countries. www.cost.eu

Investigations on Joule heating applications by multiphysical continuum simulations in nanoscale systems

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Book Series: Schriftenreihe des Instituts für Angewandte Materialien, Karlsruher Institut für Technologie ISSN: 21929963 ISBN: 9783731502616 Year: Volume: 43 Pages: XIX, 222 p. DOI: 10.5445/KSP/1000042982 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Technology (General)
Added to DOAB on : 2019-07-30 20:01:58
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This work furthers the overall understanding of a 3w-measurement, by considering previously unexamined macroscopic influence factors within measurement by Finite Element simulations (FES). Moreover, new measuring configurations are developed to determine (an)isotropic thermal conductivities of nanoscale samples. Since no analytic solutions are available for these configurations, a new evaluation methodology is presented to determine emergent thermal conductivities by FES and Neural Networks.

Drop, Bubble and Particle Dynamics in Complex Fluids

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ISBN: 9783039282968 9783039282975 Year: Pages: 142 DOI: 10.3390/books978-3-03928-297-5 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General) --- General and Civil Engineering
Added to DOAB on : 2020-04-07 23:07:09
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The presence of drops, bubbles, and particles affects the behavior and response of complex multiphase fluids. In many applications, these complex fluids have more than one non-Newtonian component, e.g., polymer melts, liquid crystals, and blood plasma. In fact, most fluids exhibit non-Newtonian behaviors, such as yield stress, viscoelastity, viscoplasticity, shear thinning, or shear thickening, under certain flow conditions. Even in the complex fluids composed of Newtonian components, the coupling between different components and the evolution of internal boundaries often lead to a complex rheology. Thus the dynamics of drops, bubbles, and particles in both Newtonian fluids and non-Newtonian fluids are crucial to the understanding of the macroscopic behavior of complex fluids. This Special Issue aims to gather a wide variety of papers that focus on drop, bubble and particle dynamics in complex fluids. Potential topics include, but are not limited to, drop deformation, rising drops, pair-wise drop interactions, drop migration in channel flows, and the interaction of particles with flow systems such as pastes and slurries, glasses, suspensions, and emulsions. We emphasize numerical simulations, but also welcome experimental and theoretical contributions.

New Frontiers in Multiscale Modelling of Advanced Materials

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Book Series: Frontiers Research Topics ISSN: 16648714 ISBN: 9782889197552 Year: Pages: 91 DOI: 10.3389/978-2-88919-755-2 Language: English
Publisher: Frontiers Media SA
Subject: General and Civil Engineering --- Materials
Added to DOAB on : 2016-04-07 11:22:02
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Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

Second Generation General System Theory: Perspectives in Philosophy and Approaches in Complex Systems

Authors: --- ---
ISBN: 9783038424413 9783038424406 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Mathematics
Added to DOAB on : 2017-06-29 11:01:38
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Following the classical work of Norbert Wiener, Ross Ashby, Ludwig von Bertalanffy and many others, the concept of System has been elaborated in different disciplinary fields, allowing interdisciplinary approaches in areas such as Physics, Biology, Chemistry, Cognitive Science, Economics, Engineering, Social Sciences, Mathematics, Medicine, Artificial Intelligence, and Philosophy. The new challenge of Complexity and Emergence has made the concept of System even more relevant to the study of problems with high contextuality. This Special Issue focuses on the nature of new problems arising from the study and modelling of complexity, their eventual common aspects, properties and approaches—already partially considered by different disciplines—as well as focusing on new, possibly unitary, theoretical frameworks. This Special Issue aims to introduce fresh impetus into systems research when the possible detection and correction of mistakes require the development of new knowledge. This book contains contributions presenting new approaches and results, problems and proposals. The context is an interdisciplinary framework dealing, in order, with electronic engineering problems; the problem of the observer; transdisciplinarity; problems of organised complexity; theoretical incompleteness; design of digital systems in a user-centred way; reaction networks as a framework for systems modelling; emergence of a stable system in reaction networks; emergence at the fundamental systems level; behavioural realization of memoryless functions.

Flow and Heat or Mass Transfer in the Chemical Process Industry

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ISBN: 9783038972389 9783038972396 Year: Pages: 214 DOI: 10.3390/books978-3-03897-239-6 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: General and Civil Engineering
Added to DOAB on : 2018-09-28 12:14:25
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ca. 200 words; this text will present the book in all promotional forms (e.g. flyers). Please describe the book in straightforward and consumer-friendly terms.[Flow through process equipment in a chemical or manufacturing plant (e.g., heat exchangers, reactors, catalyst regeneration units, separation units, pumps, pipes, smoke stacks, etc.) is usually coupled with heat and/or mass transfer. Rigorous investigation of this coupling of momentum, heat, and mass transfer is not only important for the practice of designing process equipment, but is also important for improving our overall theoretical understanding of transfer phenomena. While generalizations and empiricisms, like the concept of the heat transfer coefficient or the widely used Reynolds analogy in turbulence, or the use of empirical transfer equations for flow in separation towers and reactors packed with porous media, have served practical needs in prior decades, such empiricisms can now be revised or altogether replaced by bringing modern experimental and computational tools to bear in understanding the interplay between flow and transfer. The patterns of flow play a critical role in enhancing the transfer of heat and mass. Typical examples are the coherent flow structures in turbulent boundary layers, which are responsible for turbulent transfer and mixing in a heat exchanger and for dispersion from a smoke stack, and the flow patterns that are a function of the configuration of a porous medium and are responsible for transfer in a fixed bed reactor or a fluid bed regenerator unit. The goal of this Special Issue is to be a forum for recent developments in theory, state-of-the-art experiments and computations on the interactions between flow and transfer in single and multi-phase flow, and from small scales to large scales, which can be important for the design of equipment in a chemical processing plant.]

Experimental and Numerical Studies in Biomedical Engineering

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ISBN: 9783039212477 9783039212484 Year: Pages: 130 DOI: 10.3390/books978-3-03921-248-4 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General) --- General and Civil Engineering
Added to DOAB on : 2019-12-09 16:10:12
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The term ‘biomedical engineering’ refers to the application of the principles and problem-solving techniques of engineering to biology and medicine. Biomedical engineering is an interdisciplinary branch, as many of the problems health professionals are confronted with have traditionally been of interest to engineers because they involve processes that are fundamental to engineering practice. Biomedical engineers employ common engineering methods to comprehend, modify, or control biological systems, and to design and manufacture devices that can assist in the diagnosis and therapy of human diseases. This Special Issue of Fluids aims to be a forum for scientists and engineers from academia and industry to present and discuss recent developments in the field of biomedical engineering. It contains papers that tackle, both numerically (Computational Fluid Dynamics studies) and experimentally, biomedical engineering problems, with a diverse range of studies focusing on the fundamental understanding of fluid flows in biological systems, modelling studies on complex rheological phenomena and molecular dynamics, design and improvement of lab-on-a-chip devices, modelling of processes inside the human body as well as drug delivery applications. Contributions have focused on problems associated with subjects that include hemodynamical flows, arterial wall shear stress, targeted drug delivery, FSI/CFD and Multiphysics simulations, molecular dynamics modelling and physiology-based biokinetic models.

The Role of Halo Substructure in Gamma-Ray Dark Matter Searches

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ISBN: 9783039360444 / 9783039360451 Year: Pages: 220 DOI: 10.3390/books978-3-03936-045-1 Language: eng
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Physics (General) --- Astronomy (General)
Added to DOAB on : 2020-06-09 16:38:57
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An important, open research topic today is to understand the relevance that dark matter halo substructure may have for dark matter searches. In the standard cosmological model, halo substructure or subhalos are predicted to be largely abundant inside larger halos, for example, galaxies such as ours, and are thought to form first and later merge to form larger structures. Dwarf satellite galaxies—the most massive exponents of halo substructure in our own galaxy—are already known to be excellent targets for dark matter searches, and indeed, they are constantly scrutinized by current gamma-ray experiments in the search for dark matter signals. Lighter subhalos not massive enough to have a visible counterpart of stars and gas may be good targets as well, given their typical abundances and distances. In addition, the clumpy distribution of subhalos residing in larger halos may boost the dark matter signals considerably. In an era in which gamma-ray experiments possess, for the first time, the exciting potential to put to test the preferred dark matter particle theories, a profound knowledge of dark matter astrophysical targets and scenarios is mandatory should we aim for accurate predictions of dark matter-induced fluxes for investing significant telescope observing time on selected targets and for deriving robust conclusions from our dark matter search efforts. In this regard, a precise characterization of the statistical and structural properties of subhalos becomes critical. In this Special Issue, we aim to summarize where we stand today on our knowledge of the different aspects of the dark matter halo substructure; to identify what are the remaining big questions, and how we could address these; and, by doing so, to find new avenues for research.

Towards Excellence in Engineering Education

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ISBN: 9783039212514 9783039212521 Year: Pages: 174 DOI: 10.3390/books978-3-03921-252-1 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Technology (General) --- General and Civil Engineering
Added to DOAB on : 2020-01-07 09:08:26
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Acquiring knowledge is a life-long process; we constantly need to keep abreast of developments and progress in science and other disciplines. Embracing a scholarship of teaching and learning (SoTL) means practicing constant self-reflection, involving evaluation of the academic career and the ways in which strategies are designed to examine, interpret, and share learning about teaching. This practice not only yields benefits to the lecturer but also enriches the scholarly community in the discipline. In general, SoTL is regarded as a vibrant practice of ongoing self-criticism and sharing, which results in accumulated teaching experiences for teachers, students, and the teaching community at large. This book is a contribution from authors sharing their experiences, how their teaching portfolios reflect their personal development as teachers, and how their teaching experiences are embedded in the scholarship of teaching and learning.

Emerging Advances in Petrophysics. Porous Media Characterization and Modeling of Multiphase Flow

Authors: --- --- ---
ISBN: 9783038977940 9783038977957 Year: Pages: 258 DOI: 10.3390/books978-3-03897-795-7 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Subject: Science (General) --- Physics (General) --- Geophysics and Geomagnetism
Added to DOAB on : 2019-04-25 16:37:17
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Due to the influence of pore-throat size distribution, pore connectivity, and microscale fractures, the transport, distribution, and residual saturation of fluids in porous media are difficult to characterize. Petrophysical methods in natural porous media have attracted great attention in a variety of fields, especially in the oil and gas industry. A wide range of research studies have been conducted on the characterization of porous media covers and multiphase flow therein. Reliable approaches for characterizing microstructure and multiphase flow in porous media are crucial in many fields, including the characterization of residual water or oil in hydrocarbon reservoirs and the long-term storage of supercritical CO2 in geological formations. This book gathers together 15 recent works to emphasize fundamental innovations in the field and novel applications of petrophysics in unconventional reservoirs, including experimental studies, numerical modeling (fractal approach), and multiphase flow modeling/simulations. The relevant stakeholders of this book are authorities and service companies working in the petroleum, subsurface water resources, air and water pollution, environmental, and biomaterial sectors.

Keywords

Wilkins equation --- non-laminar flow --- turbulence modelling --- porous media --- oil tanker --- temperature drop --- oscillating motion --- numerical simulation --- soil-water characteristic curve --- initial void ratio --- air-entry value --- fractal dimension --- fractal model --- oil properties --- diffusion coefficient --- supercritical CO2 --- Peng-Robinson equation of state (PR EOS) --- CT --- digital rock --- microfractures --- Lattice Boltzmann method --- pore-scale simulations --- tight sandstone --- pore structure --- multifractal --- classification --- Ordos Basin --- loose media --- coal --- porosity --- true density --- bulk density --- overburden pressure --- particle size --- tight conglomerate --- fracture characterization and prediction --- fractal method --- salt rock --- creep --- damage --- fractional derivative --- acoustic emission --- marine gas hydrate --- submarine landslide --- greenhouse gas emission --- lifecycle management --- hazard prevention --- multilayer reservoir --- interlayer interference --- producing degree --- seepage resistance --- wellbore multiphase flow --- inclined angle --- liquid rate --- gas rate --- pressure drawdown model with new coefficients --- base-level cycle --- pore structure --- mouth bar sand body --- Huanghua Depression --- isotopic composition --- methane --- gas hydrate --- South China Sea --- Bakken Formation --- pore structure --- controlling factors --- low-temperature nitrogen adsorption --- petrophysics --- fractal porous media --- unconventional reservoirs --- multiphase flow

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