Charge Transport in DNA - Insights from Simulations

Charge Transport in DNA - Insights from Simulations
Author: Wolter, Mario
Publisher: KIT Scientific Publishing
Total Pages: 156
Release: 2014-10-16
Genre: Science
ISBN: 3731500825

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.

Quantum Chemistry Simulation of Biological Molecules

Quantum Chemistry Simulation of Biological Molecules
Author: Eudenilson L. Albuquerque
Publisher: Cambridge University Press
Total Pages: 435
Release: 2021-02-11
Genre: Science
ISBN: 1108803849

Nano-biotechnology crosses the boundaries between physics, biochemistry and bioengineering, and has profound implications for the biomedical engineering industry. This book describes the quantum chemical simulation of a wide variety of molecular systems, with detailed analysis of their quantum chemical properties, individual molecular configurations, and cutting-edge biomedical applications. Topics covered include the basic properties of quantum chemistry and its conceptual foundations, the nanoelectronics and thermodynamics of DNA, the optoelectronic properties of the five DNA/RNA nucleobase anhydrous crystals, and key examples of molecular diode prototypes. A wide range of important applications are described, including protein binding of drugs such as cholesterol-lowering, anti-Parkinson and anti-migraine drugs, and recent developments in cancer biology are also discussed. This modern and comprehensive text is essential reading for graduate students and researchers in multidisciplinary areas of biological physics, chemical physics, chemical engineering, biochemistry and bioengineering.

Atomic-Scale Modeling of Nanosystems and Nanostructured Materials

Atomic-Scale Modeling of Nanosystems and Nanostructured Materials
Author: Carlo Massobrio
Publisher: Springer Science & Business Media
Total Pages: 382
Release: 2010-02-05
Genre: Mathematics
ISBN: 3642046495

The book covers a variety of applications of modern atomic-scale modeling of materials in the area of nanoscience and nanostructured systems. By highlighting the most recent achievements obtained within a single institute, at the forefront of material science studies, the authors are able to provide a thorough description of properties at the nanoscale. The areas covered are structural determination, electronic excitation behaviors, clusters on surface morphology, spintronics and disordered materials. For each application, the basics of methodology are provided, allowing for a sound presentation of approaches such as density functional theory (of ground and excited states), electronic transport and molecular dynamics in its classical and first-principles forms. The book is a timely collection of theoretical nanoscience contributions fully in line with current experimental advances.

QM/MM Studies of Light-responsive Biological Systems

QM/MM Studies of Light-responsive Biological Systems
Author: Tadeusz Andruniów
Publisher: Springer Nature
Total Pages: 350
Release: 2020-10-27
Genre: Science
ISBN: 303057721X

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.

Modern Methods for Theoretical Physical Chemistry of Biopolymers

Modern Methods for Theoretical Physical Chemistry of Biopolymers
Author: Evgeni Starikov
Publisher: Elsevier
Total Pages: 605
Release: 2011-08-11
Genre: Science
ISBN: 0080461018

Modern Methods for Theoretical Physical Chemistry of Biopolymers provides an interesting selection of contributions from an international team of researchers in theoretical chemistry. This book is extremely useful for tackling the complicated scientific problems connected with biopolymers' physics and chemistry. The applications of both the classical molecular-mechanical and molecular-dynamical methods and the quantum chemical methods needed for bridging the gap to structural and dynamical properties dependent on electron dynamics are explained. Also included are ways to deal with complex problems when all three approaches need to be considered at the same time. The book gives a rich spectrum of applications: from theoretical considerations of how ATP is produced and used as 'energy currency' in the living cell, to the effects of subtle solvent influence on properties of biopolymers and how structural changes in DNA during single-molecule manipulation may be interpreted.· Presents modern successes and trends in theoretical physical chemistry/chemical physics of biopolymers· Topics covered are of relevant importance to rapidly developing areas in science such as nanotechnology and molecular medicine· Quality selection of contributions from renowned scientists in the field

Index Medicus

Index Medicus
Author:
Publisher:
Total Pages: 2098
Release: 2004
Genre: Medicine
ISBN:

Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.

New Bioanalytical and Biomedical Methods

New Bioanalytical and Biomedical Methods
Author: G. Brisard
Publisher: The Electrochemical Society
Total Pages: 83
Release: 2007-12
Genre: Science
ISBN: 1566776007

The papers included in this issue of ECS Transactions were originally presented in the symposium ¿New Bioanalytical and Biomedical Methods¿, held during the 211th meeting of The Electrochemical Society, in Chicago, IL, from May 6 to 11, 2007.

Computational studies of RNA and DNA

Computational studies of RNA and DNA
Author: Jirí Šponer
Publisher: Springer Science & Business Media
Total Pages: 638
Release: 2006-10-05
Genre: Science
ISBN: 1402048513

This book integrates modern computational studies of nucleic acids, ranging from advanced electronic structure quantum chemical calculations through explicit solvent molecular dynamics (MD) simulations up to mesoscopic modelling, with the main focus given to the MD field. It gives an equal emphasis to the leading methods and applications while successes as well as pitfalls of the computational techniques are discussed.

Advances in Bionanomaterials II

Advances in Bionanomaterials II
Author: Stefano Piotto
Publisher: Springer Nature
Total Pages: 275
Release: 2020-05-29
Genre: Technology & Engineering
ISBN: 3030477053

This book presents multidisciplinary research focusing on the analysis, synthesis, and design of bio and nanomaterials. Merging biophysics, biochemistry, and bioengineering perspectives, it discusses the basic properties of materials and their interaction with biological systems; the development of new medical devices, such as implantable systems; and new algorithms and methods for modeling the mechanical, physical, and biological properties of biomaterials. The book gathers the proceedings of the 3rd International Conference on Bio and Nanomaterials, held on September 29–October 3, 2019, on an MSC cruise ship navigating the Mediterranean Sea. It particularly highlights Horizon 2020 projects, covering topics such as novel synthetic strategies for nanomaterials, the implementation of bio- and smart materials for pharmacological and medical purposes, as well as environmental applications. Intended for a broad audience of academics and professionals, it offers a comprehensive and timely snapshot of the field of biomaterials. In addition to a set of innovative theories together with the necessary practical tools for their implementation, it also addresses the current challenges in the field, fostering new discussions and possible future collaborations between diverse groups.

Simulations in Nanobiotechnology

Simulations in Nanobiotechnology
Author: Kilho Eom
Publisher: CRC Press
Total Pages: 552
Release: 2011-10-19
Genre: Science
ISBN: 1439835063

Until the late 20th century, computational studies of biomolecules and nanomaterials had considered the two subjects separately. A thorough presentation of state-of-the-art simulations for studying the nanoscale behavior of materials, Simulations in Nanobiotechnology discusses computational simulations of biomolecules and nanomaterials together. Th