This book provides a comprehensive and authoritative review of the chemical analysis of UV filters in coastal waters and their impact on the marine environment. The sun care is today the most important sector within the cosmetics industry, with annual increases in sales. The main components of sunscreens, organic and inorganic UV filters, have been detected in many coastal regions, with the highest concentrations in coastal areas under high anthropogenic pressure. Moreover, these compounds have been found to be bioaccumulated in aquatic biota causing biological and toxicological responses; some organic UV filters act as endocrine disruptors in aquatic biota, affecting survival, behavior, growth, development and reproduction. On the other hand, inorganic UV filters, mainly based on nanoparticles, have been demonstrated to have various impacts on marine organisms, such as inducing oxidative stress in abalones, accumulating in microalgae, affecting the immune response in mussels, bleaching corals, and genotoxicity in fish, among others. All these effects of sunscreens on the marine environment highlight the need for more stringent and environmentally friendly regulations. This book covers the latest analytical methodologies used in assessing the impact of UV filters impact on marine waters, especially on marine biota, and also critiques the global regulation of UV filters and the environmental risk of using sunscreens. Featuring specific case studies of the environmental effects of sunscreens in the Mediterranean Sea and Hawaii, which highlight the importance of balancing human health with environmental health of coastal ecosystems, it will appeal not only to scientists and students from various disciplines (environmental chemistry, biology, ecology, biogeochemistry, fisheries and climate change among others), but also to environmental managers wanting to promote new restrictive regulations on the use of UV filters, and to professionals from the cosmetic industry interested in the development of eco-friendly sunscreens.

This unique and timely text is designed to help food science students learn to perform critical analysis of food processing technology and consider the incorporation of elements that touch on contemporary technological developments in the food sector. As the food industry adjusts to new consumer demands for safe and low processed foods, the time has come to harmonize product and process engineering with 'relationship engineering' from farm to fork. This increasingly allows the opportunity for food sector professionals to consider the existence of new drivers of food consumption. These newly discovered drivers are explored in great detail over the course of this book from industrial, economic and human resource viewpoints. Social Drivers In Food Technology presents a series of helpful case studies are presented covering six important food sectors: chocolate, coffee, yogurt, juice, baby food and snacks. These cases have been chosen in order to illustrate dynamic and innovative advances in food processing technology. The information provided over the course of this book has been gained through the thorough study of both scientific literature and organizational reports from food processing companies. The major economic aspects related to food technology are also outlined throughout the text. This multidisciplinary approach is motivated by the opportunity to contextualize the technological debate in strategy and organizational economics, contributing to the formation of human resources. This text is informed by the concept that one must look beyond the technology of the food processing sector and discuss opportunities that involve re-thinking product innovation and process, knowledge generation and human resource training. These innovations have been highlighted in food science & technology literature, but their economic and managerial implications have remained unexplored until now. With its informative case studies, helpful illustrations and quizzes and comprehensive, well-organized scope, Social Drivers In Food Technology is a much-needed textbook that will allow students to look at food processing technology from both industrial and economic perspectives and to consider the important human resource elements involved.

In this book, the development of next-generation batteries is introduced. Included are reports of investigations to realize high energy density batteries: Li-air, Li-sulfur, and all solid-state and metal anode (Mg, Al, Zn) batteries. Sulfide and oxide solid electrolytes are also reviewed.A number of relevant aspects of all solid-state batteries with a carbon anode or Li-metal anode are discussed and described: The formation of the cathode; the interface between the cathode (anode) and electrolyte; the discharge and charge mechanisms of the Li-air battery; the electrolyte system for the Li-air battery; and cell construction. The Li-sulfur battery involves a critical problem, namely, the dissolution of intermediates of sulfur during the discharge process. Here, new electrolyte systems for the suppression of intermediate dissolution are discussed. Li-metal batteries with liquid electrolytes also present a significant problem: the dendrite formation of lithium. New separators and electrolytes are introduced to improve the safety and rechargeability of the Li-metal anode. Mg, Al, and Zn metal anodes have been also applied to rechargeable batteries, and in this book, new metal anode batteries are introduced as the generation-after-next batteries.This volume is a summary of ALCA-SPRING projects, which constitute the most extensive research for next-generation batteries in Japan. The work presented in this book is highly informative and useful not only for battery researchers but also for researchers in the fields of electric vehicles and energy storage.

The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and superheavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also becoming part of standard ab-initio and density functional program packages for molecules and the solid state. The second volume of this two-part book series is therefore devoted to applications in this area of quantum chemistry and physics of atoms, molecules and the solid state. Part 1 was devoted to fundamental aspects of relativistic electronic structure theory whereas Part 2 covers more of the applications side. This volume opens with a section on the Chemistry of the Superheavy Elements and contains chapters dealing with Accurate Relativistic Fock-Space Calculations for Many-Electron Atoms, Accurate Relativistic Calculations Including QED, Parity-Violation Effects in Molecules, Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules, Two-Component Relativistic Effective Core Potential Calculations for Molecules, Relativistic Ab-Initio Model Potential Calculations for Molecules and Embedded Clusters, Relativistic Pseudopotential Calculations for Electronic Excited States, Relativistic Effects on NMR Chemical Shifts, Relativistic Density Functional Calculations on Small Molecules, Quantum Chemistry with the Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory, and Relativistic Solid State Calculations.
- Comprehensive publication which focuses on new developments in relativistic quantum electronic structure theory
- Many leaders from the field of theoretical chemistry have contributed to the TCC series
- Will no doubt become a standard text for scientists in this field.

Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a 'must' for researchers and students wishing to stay up-to-date on current developments in computational chemistry.
In Volume 3, topics covered include Simulation Methodologies (Carlos Simmerling), Biological and Biophysical Applications (Heather Carlson), Chemical Education (Theresa Zielinski), Materials and Polymers (Jeffry Madura), Quantum Chemistry (T. Daniel Crawford), and Emerging Technologies (Wendy Cornell). With this volume we extend the practice of cumulative indexing of both the current and past editions in order to provide easy identification of past reports.
* Broad coverage of computational chemistry and up-to-date information
* Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings
* Each chapter reviews the most recent literature on a specific topic of interest to computational chemists

Applications of microbial nanotechnology are currently emerging with new areas being explored. Biosynthesis of nanomaterials by microorganisms is a recently attracting interest as a new, exciting approach towards the development of 'greener' nanomanufacturing compared to traditional chemical and physical approaches. This book will cover recent advances of microbial nanotechnology in agriculture, industry, and health sectors.

This book presents the theoretical and experimental investigations on antiferromagnetically coupled ferrimagnets and reveals new aspects of ferrimagnetic dynamics in terms of the role of angular momentum. The purpose of this book is to show readers that antiferromagnets/ferrimagnets are useful in spintronic devices in that (1) The non adiabatic spin transfer torque in antiferromagnets acts as a staggered magnetic field, which can drive the magnetic domain walls, and (2) The Gilbert damping parameter , the energy dissipation rate associated with the magnetic dynamics of ferrimagnets, is insensitive to temperature in contrast to the conventional understanding that the effective of ferrimagnets diverges at the angular momentum compensation temperature. This book provides readers with a scientific platform of ferrimagnetic dynamics, which serves as a useful basis for realizing the next generation of spintronic devices.

Bioactive natural compounds have gained attention in recent years due to their potential health benefits, including reducing the risk of diabetes, cancer, and cardiovascular diseases. These benefits derive from bioactive compounds' anti-tumor, anti-inflammatory, anti-oxidative, anti-hypertensive and anti-hyperlipidemic activities, which serve in addition to their basic nutritional functions. Over the last decade, researchers have investigated the health impact of bioactive compounds in detail, and the development of food applications has attracted great interest. Consumer demand has surged for functional foods (nutraceuticals), superfoods, and tailor-made foods, generated by supplementing traditional food products with bioactive ingredients. Food Bioactives and Health offers comprehensive coverage of the properties and health effects of food bioactives in view of new trends in processing, food science and food technology. Starting with the metabolic characteristics of polyphenols, glucosinolates, and other food bioactives, the text then dives into their impact on human health and recent applications in the world of food technology. For food scientists, food technologists, and product developers looking to understand the role of food bioactives in health and develop applications in personalized nutrition, functional foods and nutraceuticals, Food Bioactives and Health serves as a one-stop reference.

This book introduces readers to interfacial reactions in confinement on stimuli-responsive homopolymer and diblock copolymer films. It also includes investigations concerning the immobilization of (bio)molecules and the fabrication of biomolecular patterns by reactive microcontact printing on these reactive polymer films. In turn, the book takes advantage of the microphase separation of diblock copolymer films to study the fabrication of nanopatterns, which could contribute to the future development of a model system that allows us to area-selectively deposit and address (bio)molecules. Given its scope, the book broadens readers' perspective on the microfabrication of stimuli-responsive polymers.

This book provides details of the basic frameworks and characteristics of processes occurring in electronically excited states of small molecules, complexes, and clusters. It discusses the perturbations in electronically excited valence states of molecules induced by intramolecular interaction and intermolecular interactions, which occur in collisions and optically populated, weakly bound complexes. Further, it describes the kinetics and mechanisms of photoprocesses in simple molecules and recombination accompanied by radiation. The book also offers information on general kinetics for gas-phase processes and basic theoretical frameworks for elementary processes. It features many useful problems, making it a valuable resource for students and researchers in molecular spectroscopy/molecular physics and chemical physics/physical chemistry.

This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.

This book includes selected, peer-reviewed contributions from the 2018 International Conference on "Physics and Mechanics of New Materials and Their Applications", PHENMA 2018, held in Busan, South Korea, 9-11 August 2018. Focusing on manufacturing techniques, physics, mechanics, and applications of modern materials with special properties, it covers a broad spectrum of nanomaterials and structures, ferroelectrics and ferromagnetics, and other advanced materials and composites. The authors discuss approaches and methods in nanotechnology; newly developed, environmentally friendly piezoelectric techniques; and physical and mechanical studies of the microstructural and other properties of materials. Further, the book presents a range of original theoretical, experimental and computational methods and their application in the solution of various technological, mechanical and physical problems. Moreover, it highlights modern devices demonstrating high accuracy, longevity and the ability to operate over wide temperature and pressure ranges or in aggressive media. The developed devices show improved characteristics due to the use of advanced materials and composites, opening new horizons in the investigation of a variety of physical and mechanical processes and phenomena.

Pollution has been a developing problem for quite some time in the modern world, and it is no secret how these chemicals negatively affect the environment. With these contaminants penetrating the earth's water supply, affecting weather patterns, and threatening human health, it is critical to study the interaction between commercially produced chemicals and the overall ecosystem. Understanding the nature of these pollutants, the extent in which they are harmful to humans, and quantifying the total risks are a necessity in protecting the future of our world. Emerging Developments and Environmental Impacts of Ecological Chemistry is an essential reference source that discusses the process of chemical contributions and their behavior within the environment. Featuring research on topics such as organic pollution, biochemical technology, and food quality assurance, this book is ideally designed for environmental professionals, researchers, scientists, graduate students, academicians, and policymakers seeking coverage on the main concerns, approaches, and solutions of ecological chemistry in the environment.

Microwave-assisted Organic Synthesis: One Hundred Reaction Procedures provides readers with a broad overview of microwave assisted organic synthesis, enabling students and researchers alike to produce more efficient and high yield syntheses while saving time and resources. The work addresses key issues faced by chemistry laboratories in academia and in industry, including an ever increasing need for procedures which are low-waste, energy efficient, high yield, occur over a short reaction period, and use environmentally friendly solvents. All these factors play an important role in the development of "green chemistry" methods, making this book an excellent resource for any laboratory or library.
* Provides a broad overview of microwave enhanced chemistry
* Written by internationally renowned scientists
* Includes exercises and worked problems which can support more independent study

Lowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises.
* Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems
* Provides thorough treatment of the simple systems basic to this subject
* Emphasizes UNDERSTANDING of the techniques and results of modern quantum chemistry
* Treats MO theory from simple Huckel through ab intio methods in current use
* Develops perturbation theory through the topics of orbital interaction as well as spectroscopic selection rules
* Presents group theory in a context of MO applications
* Includes qualitative MO theory of molecular structure, Walsh rules, Woodward-Hoffmann rules, frontier orbitals, and organic reactions
develops MO theory of periodic systems, with applications to organic polymers.