Qm Mm Studies Of Light Responsive Biological Systems

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QM/MM Studies of Light-responsive Biological Systems

Author : Tadeusz Andruniów
Publisher : Springer Nature
ISBN 13 : 303057721X
Total Pages : 350 pages
Book Rating : 4.0/5 (35 download)

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Book Synopsis QM/MM Studies of Light-responsive Biological Systems by : Tadeusz Andruniów

Download or read book QM/MM Studies of Light-responsive Biological Systems written by Tadeusz Andruniów and published by Springer Nature. This book was released on 2020-10-27 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Theoretical and Computational Photochemistry

Author : García Iriepa Cristina
Publisher : Elsevier
ISBN 13 : 0323972225
Total Pages : 520 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Theoretical and Computational Photochemistry by : García Iriepa Cristina

Download or read book Theoretical and Computational Photochemistry written by García Iriepa Cristina and published by Elsevier. This book was released on 2023-04-21 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of photoactive systems and photochemical processes. After an introduction to photochemistry, the book discusses the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics to which these methods have been applied. By discussing the synergy between experimental and computational data, the book highlights how theoretical studies could facilitate understanding experimental findings. This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in utilizing computational photochemistry methods for their own work. Reviews the fundamentals of photochemistry, helping those new to the field in understanding key concepts Provides detailed guidance and comparison of computational and theoretical methods, highlighting the suitability of each method for different case studies Outlines current applications to encourage discussion of the synergy between experimental and computational data, and inspiring further application of these methods to other photochemical processes

New Horizons in Computational Chemistry Software

Author : Michael Filatov
Publisher : Springer Nature
ISBN 13 : 3031076583
Total Pages : 316 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis New Horizons in Computational Chemistry Software by : Michael Filatov

Download or read book New Horizons in Computational Chemistry Software written by Michael Filatov and published by Springer Nature. This book was released on 2022-07-30 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the rapidly growing hardware capabilities and the new programming environments are surveyed in a series of topical reviews written by the core developers and maintainers of the popular quantum chemistry and molecular dynamics programs. Special emphasis is given to new computational methodologies and practical aspects of their implementation and application in the computational chemistry codes. Modularity of the computational chemistry software is an emerging concept that enables to bypass the development and maintenance bottleneck of the legacy software and to customize the software using the best available computational procedures implemented in the form of self-contained modules. Perspectives on modular design of the computer programs for modeling molecular electronic structure, non-adiabatic dynamics, kinetics, as well as for data visualization are presented by the researchers actively working in the field of software development and application. This volume is of interest to quantum and computational chemists as well as experimental chemists actively using and developing computational software for their research. Chapters "MLatom 2: An Integrative Platform for Atomistic Machine Learning” and “Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol" are available open access under a CC BY 4.0 License via link.springer.com.

Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions

Author :
Publisher : Academic Press
ISBN 13 : 0128020180
Total Pages : 330 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions by :

Download or read book Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions written by and published by Academic Press. This book was released on 2015-11-16 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions continues the tradition of the Advances in Protein Chemistry and Structural Biology series has been the essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins, with each thematically organized volume guest edited by leading experts in a broad range of protein-related topics. Describes advances in application of powerful techniques in the biosciences Provides cutting-edge developments in protein chemistry and structural biology Chapters are written by authorities in their field Targeted to a wide audience of researchers, specialists, and students

Quantum Effects in Biology

Author : Masoud Mohseni
Publisher : Cambridge University Press
ISBN 13 : 1107010802
Total Pages : 421 pages
Book Rating : 4.1/5 (7 download)

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Book Synopsis Quantum Effects in Biology by : Masoud Mohseni

Download or read book Quantum Effects in Biology written by Masoud Mohseni and published by Cambridge University Press. This book was released on 2014-08-07 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explores the role of quantum mechanics in biology for advanced undergraduate and graduate students in physics, biology and chemistry.

Nanopatterning and Nanoscale Devices for Biological Applications

Author : Seila Šelimović
Publisher : CRC Press
ISBN 13 : 1351831690
Total Pages : 422 pages
Book Rating : 4.3/5 (518 download)

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Book Synopsis Nanopatterning and Nanoscale Devices for Biological Applications by : Seila Šelimović

Download or read book Nanopatterning and Nanoscale Devices for Biological Applications written by Seila Šelimović and published by CRC Press. This book was released on 2017-12-19 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoscale techniques and devices have had an explosive influence on research in life sciences and bioengineering. Reflecting this influence, Nanopatterning and Nanoscale Devices for Biological Applications provides valuable insight into the latest developments in nanoscale technologies for the study of biological systems. Written and edited by experts in the field, this first-of-its-kind collection of topics: Covers device fabrication methods targeting the substrate on the nanoscale through surface modification Explores the generation of nanostructured biointerfaces and bioelectronics elements Examines microfluidically generated droplets as reactors enabling nanoscale sample preparation and analysis Gives an overview of key biosensors and integrated devices with nanoscale functionalities Discusses the biological applications of nanoscale devices, including a review of nanotechnology in tissue engineering Readers gain a deep understanding of the cutting-edge applications of nanotechnologies in biological engineering, and learn how to apply the relevant scientific concepts to their own research. Nanopatterning and Nanoscale Devices for Biological Applications is the definitive reference for researchers in engineering, biology, and biomedicine, and for anyone exploring the newest trends in this innovative field.

Molecular Spectroscopy

Author : Yukihiro Ozaki
Publisher : John Wiley & Sons
ISBN 13 : 3527814620
Total Pages : 448 pages
Book Rating : 4.5/5 (278 download)

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Book Synopsis Molecular Spectroscopy by : Yukihiro Ozaki

Download or read book Molecular Spectroscopy written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2019-04-23 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.

Molecular Spectroscopy, 2 Volume Set

Author : Yukihiro Ozaki
Publisher : John Wiley & Sons
ISBN 13 : 3527344616
Total Pages : 636 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Molecular Spectroscopy, 2 Volume Set by : Yukihiro Ozaki

Download or read book Molecular Spectroscopy, 2 Volume Set written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2019-09-03 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.

Radiation-induced and oxidative DNA damages

Author : Antonio Monari
Publisher : Frontiers Media SA
ISBN 13 : 2889196607
Total Pages : 95 pages
Book Rating : 4.8/5 (891 download)

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Book Synopsis Radiation-induced and oxidative DNA damages by : Antonio Monari

Download or read book Radiation-induced and oxidative DNA damages written by Antonio Monari and published by Frontiers Media SA. This book was released on 2015-10-02 with total page 95 pages. Available in PDF, EPUB and Kindle. Book excerpt: DNA stores and passes the genetic information of almost all living organisms. Its molecular structure and their intramolecular interactions are particularly suitable to maximize stability against oxidative stress and UV-light absorption. Yet the protection and repair strategies are still error-prone: DNA lesions are produced, including the most complex and highly mutagenic ones. An important threat to DNA stability comes from photosensitization, i.e. from the dramatic multiplication of radiation-induced defects mediated by the presence of organic or organometallic dyes compared to the direct exposure to UVA radiation. Moreover, the photo-induced production of singlet oxygen generates an extremely high oxidative stress on DNA that, in vivo, normally results in extended cellular apoptosis. Elucidating the processes leading to DNA damages, from the production of a simple radical entity to deleterious lesions, as well as the opportunities of repair by devoted enzymes, is a cornerstone towards the development of more efficient protection strategies. Sensitization and selective production of DNA lesions can also be exploited to induce the selective apoptosis of cancer cells upon exposition to radiation or to oxidative stress, for instance in the field of photodynamic therapy. The importance and relevance of the field is witnessed by the impressive amount of high-level papers dealing with this complex subject, and notably tackling the structural elucidation of DNA and DNA-drug adducts, the mechanisms of formation of DNA lesions (including the precise detection of the final lesion products), as well as the influence of the lesions on the DNA stability and dynamics and the consequences on the ease of repair. Due to the complexity of the field lying at the frontiers between chemistry, physics and biology, multidisciplinary strategies allying modeling and experience are needed. This topic aims at giving an extended overview of the current research in the domain, with fundamental contribution from the leading groups in the field of DNA reactivity, structural characterization, photo-chemistry and photo-physics, as well as repair mechanism. It will therefore be a fundamental guide for scientists wanting to address the field of DNA lesion and repair, but also more generally for researchers working in rational drug design or in the development of biomarkers and medical imaging techniques

Aggregation-Induced Emission (AIE)

Author : Jianwei Xu
Publisher : Elsevier
ISBN 13 : 0128243368
Total Pages : 698 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Aggregation-Induced Emission (AIE) by : Jianwei Xu

Download or read book Aggregation-Induced Emission (AIE) written by Jianwei Xu and published by Elsevier. This book was released on 2022-04-17 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aggregation-Induced Emission (AIE): A Practical Guide introduces readers to the topic, guiding them through fundamental concepts and the latest advances in applications. The book covers concepts, principles and working mechanisms of AIE in AIE-active luminogens, with different classes of AIE luminogens reviewed, including polymers, three-dimensional frameworks (MOFs and COFs) and supramolecular gels. Special focus is given to the structure-property relationship, structural design strategies, targeted properties and application performance. The book provides readers with a deep understanding, not only on the fundamental principles of AIE, but more importantly, on how AIE luminogens and AIE properties can be incorporated in material development. Provides the fundamental principles, design and synthesis strategies of aggregation induced emission materials Reviews the most relevant applications in materials design for stimuli-responsive materials, biomedical applications, chemo-sensing and optoelectronics Emphasizes structural design and its connection to aggregation induced emission properties, also exploring the structure-property relationship

Bioluminescence: Fundamentals and Applications in Biotechnology - Volume 3

Author : Gérald Thouand
Publisher : Springer
ISBN 13 : 3319274074
Total Pages : 203 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Bioluminescence: Fundamentals and Applications in Biotechnology - Volume 3 by : Gérald Thouand

Download or read book Bioluminescence: Fundamentals and Applications in Biotechnology - Volume 3 written by Gérald Thouand and published by Springer. This book was released on 2016-01-12 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book review series presents current trends in modern biotechnology. The aim is to cover all aspects of this interdisciplinary technology where knowledge, methods and expertise are required from chemistry, biochemistry, microbiology, genetics, chemical engineering and computer science. Volumes are organized topically and provide a comprehensive discussion of developments in the respective field over the past 3-5 years. The series also discusses new discoveries and applications. Special volumes are dedicated to selected topics which focus on new biotechnological products and new processes for their synthesis and purification. In general, special volumes are edited by well-known guest editors. The series editor and publisher will however always be pleased to receive suggestions and supplementary information. Manuscripts are accepted in English. /div

Light Harvesting in Photosynthesis

Author : Roberta Croce
Publisher : CRC Press
ISBN 13 : 1351242873
Total Pages : 793 pages
Book Rating : 4.3/5 (512 download)

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Book Synopsis Light Harvesting in Photosynthesis by : Roberta Croce

Download or read book Light Harvesting in Photosynthesis written by Roberta Croce and published by CRC Press. This book was released on 2018-01-12 with total page 793 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Cumulated Index Medicus

Author :
Publisher :
ISBN 13 :
Total Pages : 1808 pages
Book Rating : 4.3/5 (243 download)

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Book Synopsis Cumulated Index Medicus by :

Download or read book Cumulated Index Medicus written by and published by . This book was released on 2000 with total page 1808 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Quadruplex Nucleic Acids

Author : Stephen Neidle
Publisher : Royal Society of Chemistry
ISBN 13 : 1847555292
Total Pages : 301 pages
Book Rating : 4.8/5 (475 download)

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Book Synopsis Quadruplex Nucleic Acids by : Stephen Neidle

Download or read book Quadruplex Nucleic Acids written by Stephen Neidle and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: Guanine rich DNA has been known for decades to form unusual structures, although their biological relevance was little understood. Recent advances have demonstrated that quadruplex structures can play a role in gene expression and provide opportunities for a new class of anticancer therapeutics. A number of quadruplex-specific proteins have also been discovered. Quadruplex Nucleic Acids discusses all aspects of the fundamentals of quadruplex structures, including their structure in solution and the crystalline state, the kinetics of quadruplex folding, and the role of cations in structure and stability. The biology of quadruplexes and G-rich genomic regions and G-quartets in supramolecular chemistry and nanoscience are also considered. Surveying the current state of knowledge, and with contributions from leading experts, this is the first comprehensive review of this rapidly growing area. Quadruplex Nucleic Acids is ideal for researchers interested in areas related to chemistry, chemical biology, medicinal chemistry, molecular pharmacology, and structural and molecular biology.

Photoactive Inorganic Nanoparticles

Author : Julia Pérez Prieto
Publisher : Elsevier
ISBN 13 : 0128145323
Total Pages : 284 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Photoactive Inorganic Nanoparticles by : Julia Pérez Prieto

Download or read book Photoactive Inorganic Nanoparticles written by Julia Pérez Prieto and published by Elsevier. This book was released on 2019-03-09 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoparticles are usually designed for specific applications and selection of the most convenient capping can be a complex task, but is crucial for successful design. In this volume, the authors discuss the selection of functional cappings to coat nanoparticles in a range of different applications. The opening chapter provides an understanding of basic aspects of surface chemistry at the nanoscale. Each following chapter covers a particular kind of capping, beginning with a basic introduction and describing characteristics such as structure, functionality, solubility, (photo)physics, and toxicity. Special emphasis is placed on how important these specific features are in the preparation of smart nanomaterials. In-depth explanations and examples are then presented, highlighting the latest results and cutting-edge research carried out with the selected capping according to the kind of nanoparticle employed (such as rare-earth doped, semiconducting, and metallic). An additional chapter focusses on computational techniques for modelling nanosurfaces. Photoactive Inorganic Nanoparticles: Surface Composition and its Role in Nanosystem Functionality will be a valuable working resource for graduate students, researchers, and industry R&D professionals working in the field of applied nanomaterials. Aids selection of the best functional cappings for particular applications Covers a broad range of application areas, including medical, biological and materials science Provides material on computational techniques for modeling nanosurfaces

Self-Healing Polymers

Author : Wolfgang H. Binder
Publisher : John Wiley & Sons
ISBN 13 : 3527670203
Total Pages : 638 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Self-Healing Polymers by : Wolfgang H. Binder

Download or read book Self-Healing Polymers written by Wolfgang H. Binder and published by John Wiley & Sons. This book was released on 2013-03-29 with total page 638 pages. Available in PDF, EPUB and Kindle. Book excerpt: Self-healing is a well-known phenomenon in nature: a broken bone merges after some time and if skin is damaged, the wound will stop bleeding and heals again. This concept can be mimicked in order to create polymeric materials with the ability to regenerate after they have suffered degradation or wear. Already realized applications are used in aerospace engineering, and current research in this fascinating field shows how different self-healing mechanisms proven successful by nature can be adapted to produce even more versatile materials. The book combines the knowledge of an international panel of experts in the field and provides the reader with chemical and physical concepts for self-healing polymers, including aspects of biomimetic processes of healing in nature. It shows how to design self-healing polymers and explains the dynamics in these systems. Different self-healing concepts such as encapsulated systems and supramolecular systems are detailed. Chapters on analysis and friction detection in self-healing polymers and on applications round off the book.

Biomedical Applications of Polymeric Materials and Composites

Author : Raju Francis
Publisher : John Wiley & Sons
ISBN 13 : 3527338365
Total Pages : 414 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Biomedical Applications of Polymeric Materials and Composites by : Raju Francis

Download or read book Biomedical Applications of Polymeric Materials and Composites written by Raju Francis and published by John Wiley & Sons. This book was released on 2016-12-19 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: With its content taken from only the very latest results, this is an extensive summary of the various polymeric materials used for biomedical applications. Following an introduction listing various functional polymers, including conductive, biocompatible and conjugated polymers, the book goes on to discuss different synthetic polymers that can be used, for example, as hydrogels, biochemical sensors, functional surfaces, and natural degradable materials. Throughout, the focus is on applications, with worked examples for training purposes as well as case studies included. The whole is rounded off with a look at future trends.