Charge Transport In Dna Insights From Simulations
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Charge Transport In Dna Insights From Simulations
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Author : Wolter, Mario
language : en
Publisher: KIT Scientific Publishing
Release Date : 2014-10-16
Charge Transport In Dna Insights From Simulations written by Wolter, Mario and has been published by KIT Scientific Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-10-16 with Science categories.
Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements.
Charge Transport In Dna Insights From Simulations
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Author : Mario Wolter
language : en
Publisher:
Release Date : 2020-10-09
Charge Transport In Dna Insights From Simulations written by Mario Wolter and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-09 with Medical categories.
Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements. This work was published by Saint Philip Street Press pursuant to a Creative Commons license permitting commercial use. All rights not granted by the work's license are retained by the author or authors.
Charge Migration In Dna
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Author : Tapash Chakraborty
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-08-15
Charge Migration In Dna written by Tapash Chakraborty and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-15 with Science categories.
Charge migration through DNA has been the focus of considerable interest in recent years. This book presents contributions from an international team of researchers active in this field. It contains a wide range of topics that includes the mathematical background of the quantum processes involved, the role of charge transfer in DNA radiation damage, a new approach to DNA sequencing, DNA photonics, and many others.
Qm Mm Studies Of Light Responsive Biological Systems
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Author : Tadeusz Andruniów
language : en
Publisher: Springer Nature
Release Date : 2020-10-27
Qm Mm Studies Of Light Responsive Biological Systems written by Tadeusz Andruniów and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-27 with Science categories.
This book, a consecutive contribution to the series Challenges and Advances in Computational Chemistry and Physics, focuses on understanding the photoinduced processes in biological systems. Understanding and fine control of light fate in molecules is vital for the progress of society and environmental safety. Light induced changes of various physico-chemical and spectroscopic properties in nucleic acids and proteins is the basis of fundamental biological events such as vision, DNA photodamage or photosensing. The investigation of these processes is challenging to both theoretical and experimental studies. This volume encompasses the quantum mechanics/molecular mechanics theory in several subfields, including: advanced computational methods for nucleic acids and proteins systems; dynamics, spectroscopic and physico-chemical properties of biological photoreceptors; DNA photodamage. This book is of interest to readers in both fundamental and application-oriented research by overviewing recent achievements in computational modeling of excited states in nucleic acids and proteins.
Atomic Scale Modeling Of Nanosystems And Nanostructured Materials
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Author : Carlo Massobrio
language : en
Publisher: Springer
Release Date : 2010-01-19
Atomic Scale Modeling Of Nanosystems And Nanostructured Materials written by Carlo Massobrio and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-01-19 with Technology & Engineering categories.
Understanding the structural organization of materials at the atomic scale is a lo- standing challenge of condensed matter physics and chemistry. By reducing the size of synthesized systems down to the nanometer, or by constructing them as collection of nanoscale size constitutive units, researchers are faced with the task of going beyond models and interpretations based on bulk behavior. Among the wealth of new materials having in common a “nanoscale” ngerprint, one can encounter systems intrinsically extending to a few nanometers (clusters of various compo- tions), systems featuring at least one spatial dimension not repeated periodically in space and assemblies of nanoscale grains forming extended compounds. For all these cases, there is a compelling need of an atomic-scale information combining knowledge of the topology of the system and of its bonding behavior, based on the electronic structure and its interplay with the atomic con gurations. Recent dev- opments in computer architectures and progresses in available computational power have made possible the practical realization of a paradygma that appeared totally unrealistic at the outset of computer simulations in materials science. This consists inbeing able to parallel (at least inprinciple) any experimental effort by asimulation counterpart, this occurring at the scale most appropriate to complement and enrich the experiment.
Nanoscale Insights Into Ion Beam Cancer Therapy
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Author : Andrey V. Solov’yov
language : en
Publisher: Springer
Release Date : 2016-12-07
Nanoscale Insights Into Ion Beam Cancer Therapy written by Andrey V. Solov’yov and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-07 with Science categories.
This book provides a unique and comprehensive overview of state-of-the-art understanding of the molecular and nano-scale processes that play significant roles in ion-beam cancer therapy. It covers experimental design and methodology, and reviews the theoretical understanding of the processes involved. It offers the reader an opportunity to learn from a coherent approach about the physics, chemistry and biology relevant to ion-beam cancer therapy, a growing field of important medical application worldwide. The book describes phenomena occurring on different time and energy scales relevant to the radiation damage of biological targets and ion-beam cancer therapy from the molecular (nano) scale up to the macroscopic level. It illustrates how ion-beam therapy offers the possibility of excellent dose localization for treatment of malignant tumours, minimizing radiation damage in normal tissue whilst maximizing cell-killing within the tumour, offering a significant development in cancer therapy. The full potential of such therapy can only be realized by better understanding the physical, chemical and biological mechanisms, on a range of time and space scales that lead to cell death under ion irradiation. This book describes how, using a multiscale approach, experimental and theoretical expertise available can lead to greater insight at the nanoscopic and molecular level into radiation damage of biological targets induced by ion impact. The book is intended for advanced students and specialists in the areas of physics, chemistry, biology and medicine related to ion-beam therapy, radiation protection, biophysics, radiation nanophysics and chemistry, atomic and molecular physics, condensed matter physics, and the physics of interaction of charged particles with matter. One of the most important features of the book is the inclusive multiscale approach to the understanding of complex and highly interdisciplinary processes behind ion-beam cancer therapy, which stretches from the atomistic level up to the biological scale and is demonstrated to be in excellent agreement with experimental observations.
Quantum Chemistry Simulation Of Biological Molecules
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Author : Eudenilson L. Albuquerque
language : en
Publisher: Cambridge University Press
Release Date : 2021-02-11
Quantum Chemistry Simulation Of Biological Molecules written by Eudenilson L. Albuquerque and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-11 with Science categories.
This book covers quantum chemical simulation of molecular systems and their quantum chemical properties, alongside the most cutting-edge biomedical applications.
Index Medicus
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Author :
language : en
Publisher:
Release Date : 2004
Index Medicus written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with Medicine categories.
Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.
Fundamental Mechanisms And Biological Applications Of Dna Mediated Charge Transport
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Author : Katherine Emily Augustyn
language : en
Publisher:
Release Date : 2007
Fundamental Mechanisms And Biological Applications Of Dna Mediated Charge Transport written by Katherine Emily Augustyn and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with Electronic dissertations categories.
Memory Functions Projection Operators And The Defect Technique
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Author : V. M. (Nitant) Kenkre
language : en
Publisher: Springer Nature
Release Date : 2021-04-13
Memory Functions Projection Operators And The Defect Technique written by V. M. (Nitant) Kenkre and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-04-13 with Science categories.
This book provides a graduate-level introduction to three powerful and closely related techniques in condensed matter physics: memory functions, projection operators, and the defect technique. Memory functions appear in the formalism of the generalized master equations that express the time evolution of probabilities via equations non-local in time, projection operators allow the extraction of parts of quantities, such as the diagonal parts of density matrices in statistical mechanics, and the defect technique allows solution of transport equations in which the translational invariance is broken in small regions, such as when crystals are doped with impurities. These three methods combined form an immensely useful toolkit for investigations in such disparate areas of physics as excitation in molecular crystals, sensitized luminescence, charge transport, non-equilibrium statistical physics, vibrational relaxation, granular materials, NMR, and even theoretical ecology. This book explains the three techniques and their interrelated nature, along with plenty of illustrative examples. Graduate students beginning to embark on a research project in condensed matter physics will find this book to be a most fruitful source of theoretical training.