Modelling Complexes for Natural and Artificial Photosynthesis by Quantum Mechanics Simulations PDF Download

Author: Fabio Pitari (t.d.-)
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Author: Darrin M. York
Publisher: Springer Science & Business Media
ISBN: 1402099568
Category : Science
Languages : en
Pages : 426

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“Multi-scale Quantum Models for Biocatalysis” explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes. This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas.

Author: Reza Razeghifard
Publisher: John Wiley & Sons
ISBN: 1118659759
Category : Science
Languages : en
Pages : 372

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This technical book explores current and future applications of solar power as an unlimited source of energy that earth receives every day. Photosynthetic organisms have learned to utilize this abundant source of energy by converting it into high-energy biochemical compounds. Inspired by the efficient conversion of solar energy into an electron flow, attempts have been made to construct artificial photosynthetic systems capable of establishing a charge separation state for generating electricity or driving chemical reactions. Another important aspect of photosynthesis is the CO2 fixation and the production of high energy compounds. Photosynthesis can produce biomass using solar energy while reducing the CO2 level in air. Biomass can be converted into biofuels such as biodiesel and bioethanol. Under certain conditions, photosynthetic organisms can also produce hydrogen gas which is one of the cleanest sources of energy.

Author: Christopher Saul Barton
Publisher:
ISBN:
Category : Photosynthesis
Languages : en
Pages : 334

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Author: Simone Taioli
Publisher: Frontiers Media SA
ISBN: 2889197557
Category : Engineering (General). Civil engineering (General)
Languages : en
Pages : 93

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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.

Author: Roman Joswik
Publisher: CRC Press
ISBN: 1482246619
Category : Medical
Languages : en
Pages : 303

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This important volume highlights the latest developments and trends in chemistry, biochemistry, and biology. It presents the developments of advanced materials and respective tools to characterize and predict the material properties and behavior. The book provides original, theoretical, and important experimental results that use non-routine method

Author: Philip Ball
Publisher: University of Chicago Press
ISBN: 022655838X
Category : Science
Languages : en
Pages : 382

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“Anyone who is not shocked by quantum theory has not understood it.” Since Niels Bohr said this many years ago, quantum mechanics has only been getting more shocking. We now realize that it’s not really telling us that “weird” things happen out of sight, on the tiniest level, in the atomic world: rather, everything is quantum. But if quantum mechanics is correct, what seems obvious and right in our everyday world is built on foundations that don’t seem obvious or right at all—or even possible. An exhilarating tour of the contemporary quantum landscape, Beyond Weird is a book about what quantum physics really means—and what it doesn’t. Science writer Philip Ball offers an up-to-date, accessible account of the quest to come to grips with the most fundamental theory of physical reality, and to explain how its counterintuitive principles underpin the world we experience. Over the past decade it has become clear that quantum physics is less a theory about particles and waves, uncertainty and fuzziness, than a theory about information and knowledge—about what can be known, and how we can know it. Discoveries and experiments over the past few decades have called into question the meanings and limits of space and time, cause and effect, and, ultimately, of knowledge itself. The quantum world Ball shows us isn’t a different world. It is our world, and if anything deserves to be called “weird,” it’s us.

Author: Herbert van Amerongen
Publisher: World Scientific
ISBN: 9789810232801
Category : Science
Languages : en
Pages : 612

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Excitons are considered as the basic concept used by describing the spectral properties of photosynthetic pigment-protein complexes and excitation dynamics in photosynthetic light-harvesting antenna and reaction centers. Following the recently obtained structures of a variety of photosynthetic pigment-protein complexes from plants and bacteria our interest in understanding the relation between structure, function and spectroscopy has strongly increased. These data demonstrate a short interpigment distance (of the order of 1 nm or even smaller) and/or a highly symmetric (ring-like) arrangement of pigment molecules in peripheral light-harvesting complexes of photosynthetic bacteria. Books which were devoted to the exciton problem so far mainly considered the spectral properties of molecular crystals. However, the small size of these pigment aggregates in the pigment-protein complexes as well as the role of the protein, which is responsible for the structural arrangement of the complex, clearly will have a dramatic influence on the pigment spectra and exciton dynamics. All these aspects of the problem are considered in this book. Exciton theory is mainly considered for small molecular aggregates (dimers, ring-like structures etc.). Together with the theoretical description of the classical conceptual approach, which mainly deals with polarization properties of the absorption and fluorescence spectra, the nonlinear femtosecond spectroscopy which is widely used for investigations now is also discussed. A large part of the book demonstrates the excitonic effects in a multitude of photosynthetic pigment-protein complexes and how we can understand these properties on the basis of the exciton concept.

Author: Roberta Croce
Publisher: CRC Press
ISBN: 1351242873
Category : Science
Languages : en
Pages : 778

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Book Description
This landmark collective work introduces the physical, chemical, and biological principles underlying photosynthesis: light absorption, excitation energy transfer, and charge separation. It begins with an introduction to properties of various pigments, and the pigment proteins in plant, algae, and bacterial systems. It addresses the underlying physics of light harvesting and key spectroscopic methods, including data analysis. It discusses assembly of the natural system, its energy transfer properties, and regulatory mechanisms. It also addresses light-harvesting in artificial systems and the impact of photosynthesis on our environment. The chapter authors are amongst the field’s world recognized experts. Chapters are divided into five main parts, the first focused on pigments, their properties and biosynthesis, and the second section looking at photosynthetic proteins, including light harvesting in higher plants, algae, cyanobacteria, and green bacteria. The third part turns to energy transfer and electron transport, discussing modeling approaches, quantum aspects, photoinduced electron transfer, and redox potential modulation, followed by a section on experimental spectroscopy in light harvesting research. The concluding final section includes chapters on artificial photosynthesis, with topics such as use of cyanobacteria and algae for sustainable energy production. Robert Croce is Head of the Biophysics Group and full professor in biophysics of photosynthesis/energy at Vrije Universiteit, Amsterdam. Rienk van Grondelle is full professor at Vrije Universiteit, Amsterdam. Herbert van Amerongen is full professor of biophysics in the Department of Agrotechnology and Food Sciences at Wageningen University, where he is also director of the MicroSpectroscopy Research Facility. Ivo van Stokkum is associate professor in the Department of Physics and Astronomy, Faculty of Sciences, at Vrije Universiteit, Amsterdam.

Author: Masoud Mohseni
Publisher: Cambridge University Press
ISBN: 1107010802
Category : Science
Languages : en
Pages : 421

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Book Description
Explores the role of quantum mechanics in biology for advanced undergraduate and graduate students in physics, biology and chemistry.