This book reveals unique transport phenomena and functionalities in topological insulators coupled with magnetism and superconductivity. Topological insulators are a recently discovered class of materials that possess a spin-momentum-locked surface state. Their exotic spin texture makes them an exciting platform for investigating emergent phenomena, especially when coupled with magnetism or superconductivity. Focusing on the strong correlation between electricity and magnetism in magnetic topological insulators, the author presents original findings on current-direction-dependent nonreciprocal resistance, current-induced magnetization reversal and chiral edge conduction at the domain wall. In addition, he demonstrates how the coupling between superconductivity and topological surface state leads to substantial nonreciprocal resistance. The author also elucidates the origins of these phenomena and deepens readers' understanding of the topologically nontrivial electronic state. The book includes several works which are published in top journals and were selected for the President's Award by the University of Tokyo and for the Ikushi Prize, awarded to distinguished Ph.D. students in Japan.

This book provides a multidisciplinary overview to the application of high order derivative spectrophotometry and Electron Spin Resonance (ESR) spectroscopy in biology and ecology. The characteristics of the principle methods as well as the generation of reliable spectra are discussed in general terms allowing the reader to gain an idea of these methods' potentials. Furthermore the authors give an extended overview to the spectroscopic and spectro-photometric analysis of specific biological materials. This volume is a well condensed description of an analytical method and a clear review to its application in biology and related fields and an essential tool for researchers who are new in the field of spectroscopic methods and their applications in the life sciences.

This book covers the fundamental aspects of fiber lasers and fiber amplifiers, and includes a wide range of material from laser physics fundamentals to state-of-the-art topics in this rapidly growing field of quantum electronics. This expanded and updated new edition includes substantial new material on nonlinear frequency conversion and Raman fiber lasers and amplifiers, as well as an expanded list of references inclusive of the recent literature in the field. Emphasis is placed on the nonlinear processes taking place in fiber lasers and amplifiers, their similarities, differences to, and their advantages over other solid-state lasers. The reader will learn the basic principles of solid-state physics and optical spectroscopy of laser active centers in fibers, the main operational laser regimes, and will receive practical recommendations and suggestions on fiber laser research, laser applications, and laser product development. The book will be useful for students, researchers, and professional physicists and engineers who work with lasers in the optical and telecommunications field, as well as those in the chemical and biological industries.

This book highlights the latest advances in bioMEMS for biosensing applications. It comprehensively reviews different detection methods, including colorimetric, fluorescence, luminescence, bioluminescence, chemiluminescence, biochemiluminescence, and electrochemiluminescence, and presents various bioMEMS for each, together with recent examples. The book also offers an overview of the history of BioMEMS and the design and manufacture of the first bioMEMS-based devices.

When bombarded with X-rays, solid materials produce distinct scattering patterns similar to fingerprints. X-ray powder diffraction is a technique used to fingerprint solid samples, which are then identified and cataloged for future use—much the way the FBI keeps fingerprints on file. The current database of some 70,000 material prints has been put to a broad range of uses, from the analysis of moon rocks to testing drugs for purity.

Introduction to X-ray Powder Diffractometry fully updates the achievements in the field over the past fifteen years and provides a much-needed explanation of the state-of-the-art techniques involved in characterizing materials. It covers the latest instruments and methods, with an emphasis on the fundamentals of the diffractometer, its components, alignment, calibration, and automation.

The first three chapters outline diffraction theory in clear language, accessible to both students and professionals in chemistry, physics, geology, and materials science. The book's middle chapters describe the instrumentation and procedures used in X-ray diffraction, including X-ray sources, X-ray detection, and production of monochromatic radiation. The chapter devoted to instrument design and calibration is followed by an examination of specimen preparation methods, data collection, and reduction. The final two chapters provide in-depth discussions of qualitative and quantitative analysis.

While the material is presented in an orderly progression, beginning with basic concepts and moving on to more complex material, each chapter stands on its own and can be studied independently or used as a professional reference. More than 230 illustrations and tables demonstrate techniques and clarify complex material.

Self-contained, timely, and user-friendly, Introduction to X-ray Powder Diffractometry is an enormously useful text and professional reference for analytical chemists, physicists, geologists and materials scientists, and upper-level undergraduate and graduate students in materials science and analytical chemistry.

X-ray powder diffraction—a technique that has matured significantly in recent years—is used to identify solid samples and determine their composition by analyzing the so-called "fingerprints" they generate when X-rayed. This unique volume fulfills two major roles: it is the first textbook devoted solely to X-ray powder diffractometry, and the first up-to-date treatment of the subject in 20 years.

This timely, authoritative volume features:

• Clear, concise descriptions of both theory and practice—including fundamentals of diffraction theory and all aspects of the diffractometer
• A treatment that reflects current trends toward automation, covering the newest instrumentation and automation techniques
• Coverage of all the most common applications, with special emphasis on qualitative and quantitative analysis
• An accessible presentation appropriate for both students and professionals
• More than 230 tables and illustrations

Introduction to X-ray Powder Diffractometry, a collaboration between two internationally known and respected experts in the field, provides invaluable guidance to anyone using X-ray powder diffractometers and diffractometry in materials science, ceramics, the pharmaceutical industry, and elsewhere.

This book provides insight into the underlying basic theories and concepts in X-ray, light, and neutron scattering. The three scattering principles are systematically presented, together with a unified description based on elastic scattering of electromagnetic waves and the Schroedinger wave from matter. These explanations are presented with an introduction of their common Born approximation using a consistent set of symbols and terminology and with step-by-step derivations of equations. This book emphasizes the combined applications of these three scattering methods, wherever and whenever possible, as a very powerful methodology for characterization of internal structures of soft matters in the length scale ranging from subnanometers to a few 10 micron meters. These applications include explorations for evolution of hierarchically self-organized internal structures of a variety of soft matters, including cells, under diverse environmental conditions. This book will not only be an excellent resource for graduate students and academic researchers who analyze structures of soft matters and polymers, but it will also be useful for researchers in industries.

With the help of leading Quality Assurance (QA) and Quality Control (QC) microbiology specialists in Europe, a complete set of guidelines on how to start and implement a quality system in a microbiological laboratory has been prepared, supported by the European Commission through the Measurement and Testing Programme. The working group included food and water microbiologists from various testing laboratories, universities and industry, as well as statisticians and QA and QC specialists in chemistry.

This book contains the outcome of their work. It has been written with the express objective of using simple but accurate wording so as to be accessible to all microbiology laboratory staff. To facilitate reading, the more specialized items, in particular some statistical treatments, have been added as an annex to the book. All QA and QC tools mentioned within these guidelines have been developed and applied by the authors in their own laboratories. All aspects dealing with reference materials and interlaboratory studies have been taken in a large part from the projects conducted within the BCR and Measurement and Testing Programmes of the European Commission.

With so many different quality control procedures, their introduction in a laboratory would appear to be a formidable task. The authors recognize that each laboratory manager will choose the most appropriate procedures, depending on the type and size of the laboratory in question. Accreditation bodies will not expect the introduction of all measures, only those that are appropriate for a particular laboratory.

Features of this book:

- Gives all quality assurance and control measures to be taken, from sampling toexpression of results

- Provides practical aspects of quality control to be applied both for the analyst and top management

- Describes the use of reference materials for statistical control of methods and use of certified reference materials (including statistical tools).

This book highlights the use of LEDs in biomedical photoacoustic imaging. In chapters written by key opinion leaders in the field, it covers a broad range of topics, including fundamentals, principles, instrumentation, image reconstruction and data/image processing methods, preclinical and clinical applications of LED-based photoacoustic imaging. Apart from preclinical imaging studies and early clinical pilot studies using LED-based photoacoustics, the book includes a chapter exploring the opportunities and challenges of clinical translation from an industry perspective. Given its scope, the book will appeal to scientists and engineers in academia and industry, as well as medical experts interested in the clinical applications of photoacoustic imaging.

A comprehensive examination of all critical aspects of Disaster Victim Identification (DVI) As the frequency of both natural and man-made mass fatality disasters increases worldwide, the establishment of clear standards and best practices within the field of Disaster Victim identification (DVI) is of vital importance. Whereas most countries assign jurisdiction to law enforcement agencies following Interpol guidelines, DVI is the responsibility of the medical examiner and coroner in the United States. Disaster Victim Identification in the 21st Century is the first book of its kind to directly address the needs of DVI practitioners in the United States, covering the full spectrum of DVI from traditional methods such as fingerprints, odontology, and anthropology to advanced DNA identification technology. Approaching DVI from three perspectives--academic, government, and private industry--this comprehensive volume examines the history and current state of the discipline, the ongoing formation of national standards, the various methods of human identification, and the key challenges and future of DVI. In-depth chapters are written by leaders in the field with personal experience in human identification and mass fatality events. Provides practitioners with practical guidance on planning and taking part in DVI based on current national standards and best practices Discusses continued improvement in both traditional and emerging DVI methods Includes non-region-specific case studies and recommendations that can be easily adapted for international use Examines ethical and legal considerations in DVI, including suggestions for standardizing the victim identification process Describes the critical role of the Victim Information Center (VIC) in providing the comparative information required to go beyond presumptive identifications Part of the American Association for Forensic Sciences (AAFS) series, Disaster Victim Identification in the 21st Century: A US Perspective is an indispensable resource for forensic scientists, disaster planners, policymakers, medical examiners and coroners, law enforcement and emergency personnel, and upper-level undergraduate and graduate students in forensic sciences and emergency management.

The octanol-water partition coefficient is a laboratory-measured property of a substance. It provides a thermodynamic measure of the tendency of the substance to prefer a non-aqueous or oily milieu rather than water (i.e. its hydrophilic/lipophilic balance). Partition coefficients are used extensively in medicinal chemistry, drug design, ecotoxicology and environmental chemistry. The partition coefficient is recognized by governmental and international agencies (U.S. Environmental Protection Agency, OECD) as a physical property of organic pollutants equal in importance to vapour pressure, water solubility and toxicity. Octanol-Water Partition Coefficients is a comprehensive and up-to-date survey of the thermodynamics of partitioning and of the octanol-water pair. In addition, all current methods of measurement are reviewed, strengths and weaknesses are noted and recommendations for particular applications are given. Current methods of calculation of partition coefficients are similarly surveyed and described. Five of the most popular computerized methods are tested for predictive accuracy for drugs, pollutants, aminoacids, etc. The book will be of interest not only to solution chemists, but to any chemists who use partition coefficients. It provides a thorough understanding of the fundamentals and offers clear guidance on the choice of methods of measurement and calculation. Contents: Introduction, Thermodynamics and Extrathermodynamics of Partitioning, Experimental Methods of Measurement, Discussion of Measurement Methods, Methods of Calculating Partitioning Coefficients, Discussion of LogKow Predictive Methods The Wiley Series in Solution Chemistry fills the increasing need to present authoritative, comprehensive and fully up-to-date accounts of the many aspects of solution chemistry. Internationally recognized experts from research or teaching institutions in various countries are invited to contribute to the series.

Proteins act as macromolecular machinery that mediate many diverse biological processes - the molecular mechanisms of this machinery has fascinated biologists for decades. Analysis of the kinetic and thermodynamic features of these mechanisms could reveal unprecedented aspects of how the machinery function and will eventually lead to a novel understanding of various biological processes. This dissertation comprehensively demonstrates how two universally conserved guanosine triphosphatases in the signal recognition particle and its membrane receptor maintain the efficiency and fidelity of the co-translational protein targeting process essential to all cells. A series of quantitative experiments reveal that the highly ordered and coordinated conformational states of the machinery are the key to their regulatory function. This dissertation also offers a mechanistic view of another fascinating system in which multistate protein machinery closely control critical biological processes.

Written while completing graduate work at California Institute of Technology.

to Thermal Analysis Techniques and Applications Edited by Michael E. Brown Chemistry Department, Rhodes University, Grahamstown, South Africa KLUWER ACADEMIC PUBLISHERS NEW YORK, BOSTON, DORDRECHT, LONDON, MOSCOW eBook ISBN: 0-306-48404-8 Print ISBN: 1-4020-0472-9 (c)2004 Kluwer Academic Publishers New York, Boston, Dordrecht, London, Moscow Print (c)2001 Kluwer Academic Publishers Dordrecht All rights reserved No part of this eBook may be reproduced or transmitted in any form or by any means, electronic, mechanical, recording, or otherwise, without written consent from the Publisher Created in the United States of America Visit Kluwer Online at: http: //kluweronline. com and Kluwer's eBookstore at: http: //ebooks. kluweronline. com CONTENTS Preface to the First Edition, Chapman & Hall, London, 1988 ix About the First Edition of this Book x Preface to the Second Edition xi 1. INTRODUCTION 1. 1 Definition and History 1 1. 2 Thermal Analysis Instruments 4 References 11 2. THERMAL EVENTS 2. 1 Introduction 13 2. 2 The Solid State 13 2. 3 Reactions of Solids 14 2. 4 Decomposition of Solids 15 2. 5 Reaction with the Surrounding Atmosphere 16 2. 6 Solid-Solid Interactions 16 References 17 3. THERMOGRAVIMETRY (TG) Introduction 3. 1 19 3. 2 The Balance 19 3. 3 Heating the Sample 21 3. 4 The Atmosphere 24 3. 5 The Sample 26 3. 6 Temperature Measurement 26 3. 7 Temperature Control 28 Sample Controlled Thermal Analysis (SCTA) 29 3. 8 3. 9 Calibration 36 3. 10 Presentation of TG Data 37 3

SESSION 1- DESIGN ASPECTS - 1.1 Single Focusing Magnetic Deflection Mass Spectrometers - 1.2 The Design of Double Focusing Magnetic Deflection Instruments - 1.3 A New Cycloidal Mass Spectrometer - 1.4 A Time of Flight Mass Spectrometer - 1.5 Recent Developments in the Quadrupole Mass Filter - SESSION 2 - PHYSICAL AND CHROMATOGRAPHIC APPLICATIONS - 2.1 A Fast-scan Mass Spectrometer for Residual Gas Analysis and the Examination of Effluents from Gas Chromatography Columns - 2.2 Flavour Research with a Low Cost Fast-scan Mass Spectrometer - 2.3 A Gas Chromatograph-Mass Spectrometer Linkup Recent Developments - 2.4 A Small 1800 Deflection Partial Pressure-Total Pressure Gauge for Vacuum System Diagnosis - 2.5 A Cycloidal Mass Spectrometer Applied to the Measurement of the Speed of Sputter Ion Pumps - 2.6 The Sorption of Gases by Thin Films - SESSION 3 - CHEMICAL APPLICATIONS I - 3.1 The Use of a Quadrupole Mass Filter in the Study of a Reacting Surface - 3.2 Mass-spectrometric Investigation of the Formation of Di-imide by the Catalytic Decomposition of Hydrazine at Low Pressures on Platinum - 3.3 Rearrangement Processes in the Fragmentation of Organic Ions - 3.4 A Novel Ion in the Mass Spectra of Arylureas and Related Compounds - 3.5 Mass Spectra of Some Substituted Cyclotetrazenoboranes - 3.6 The Decomposition of 9,1O-Diphenylanthracene Under Electron Impact - SESSION 4 - CHEMICAL APPLICATIONS II - 4.1 Use of Multiplet Peaks in the Examination of High Molecular Weight Petroleum Fractions - 4.2 Inorganic Analysis of Spark Source Mass Spectrometry - 4.3 An Examination of Metal Chelates by Mass Spectrometry - 4.4 Data Handling and Instrumentation in the A.W.R.E. Mass Spectrometers - SYMPOSIUM IMPRESSIONS - INDEX

Identification and Quantification of Drugs, Metabolites, Drug Metabolizing Enzymes, and Transporters, Second Edition, is completely updated to provide an overview of the last decade's numerous advances in analytical technologies for detection and quantification of drugs, metabolites, and biomarkers. This new edition goes beyond LC-MS and features all-new chapters on how to evaluate drug absorption, distribution, metabolism, and excretion, potential for hepatic and renal toxicity, immunogenicity of biotherapeutics and translational tools for predicting human dosage, safety and efficacy of small molecules and biologics. This book will be an important handbook and desk reference for pharmacologists, toxicologists, clinical scientists, and students interested in the fields of pharmacology, biochemistry, and drug metabolism.

This book is intended as reference material for students and professors interested in air pollution modeling at the graduate level as well as researchers and professionals involved in developing and utilizing air pollution models. Current developments in air pollution modeling are explored as a series of contributions from researchers at the forefront of their field. This newest contribution on air pollution modeling and its application is focused on local, urban, regional and intercontinental modeling; emission modeling and processing; data assimilation and air quality forecasting; model assessment and evaluation; aerosol transformation. Additionally, this work also examines the relationship between air quality and human health and the effects of climate change on air quality. This work is a collection of selected papers presented at the 37th International Technical Meeting on Air Pollution Modeling and its Application, held in Hamburg, Germany, September 23-27, 2019.

A new volume in the Emerging Issues in Analytical Chemistry series, Exercise, Sport, and Bioanalytical Chemistry: Principles and Practice focuses on the basic and applied aspects of energy metabolism in humans. Concise and scientific, yet intelligible to the nonscientist, the book consists of two parts. Part I, Introduction: Basics and Background, provides the biochemistry necessary to understand the rest of the book and describes analytical processes and results as an aid to grasping the science. Part II, Applications: Knowledge into Practice, explores measurement techniques for metabolism, energy expenditure of various activities, techniques that enhance expenditure, metabolic adaptation, foods and drugs that enhance expenditure, and the role of bioanalytical chemistry in future research in exercise and sport. Discussion of the benefits of exercise and practices for improving the capacity to perform exercise is illustrated by many useful and entertaining examples. This volume allows readers to come away with a grasp of the scientific concepts, how they are manifested in research techniques, and how the results of research can be applied in the real world of public health and personal development. The Emerging Issues in Analytical Chemistry series is published in partnership with RTI International and edited by Brian F. Thomas. Please be sure to check out our other featured volumes: Thomas, Brian F. and ElSohly, Mahmoud. The Analytical Chemistry of Cannabis: Quality Assessment, Assurance, and Regulation of Medicinal Marijuana and Cannabinoid Preparations, 9780128046463, December 2015. Tanna, Sangeeta and Lawson, Graham. Analytical Chemistry for Assessing Medication Adherence, 9780128054635, April 2016. Rao, Vikram, Knight, Rob, and Stoner, Brian. Sustainable Shale Oil and Gas: Analytical Chemistry, Biochemistry, and Geochemistry Methods, 9780128103890, forthcoming September 2016. Farsalinos, Konstantinos, et al. Analytical Assessment of e-Cigarettes: From Contents to Chemical and Particle Exposure Profiles, 9780128112410, forthcoming November 2016.

This series presents critical reviews of the present and future trends in polymer and biopolymer science including chemistry, physical chemistry, physics and materials science. It is addressed to all scientists at universities and in industry who wish to keep abreast of advances in the topics covered.

Impact Factor Ranking: Always number one in Polymer Science. More information as well as the electronic version of the whole content available at: www.springerlink.com

This book presents developments of novel techniques and applies them in order to understand the interactions between thermally driven mesoscale flows (sea and mountain breezes) and the turbulent exchange within the atmospheric boundary layer. These interactions are not accurately reproduced in the meteorological models currently employed for weather forecasting. Consequently, important variables such as air temperature and wind speed are misrepresented. Also, the concentrations of relevant greenhouse gases such as CO2 are considerably affected by these interactions. By applying a systematic algorithm based on objective criteria (presented here), the thesis explores complete observational databases spanning up to 10 years. Further, it presents statistically significant and robust results on the topic, which has only been studied in a handful of cases in the extant literature. Lastly, by applying the algorithm directly to the outputs of the meteorological model, the thesis helps readers understand the processes discussed and reveals the biases in such models.

There are many advantages to stir bar sorptive extraction (SBSE) for isolating and concentrating flavor-active chemicals from foods, including its simplicity and wide application appeal. Written from a practical, problem-solving perspective, the second edition of Flavor, Fragrance, and Odor Analysis highlights this powerful technique and emphasizes the range of applications available. Topics discussed include Sequential SBSE, a novel extraction procedure A simplified method for switching from one-dimensional to two-dimensional GC-MS How analytical sensitivity and recovery of phenolic compounds can be improved using aqueous acylation prior to SBSE GC-MS Analyzing and combating off-flavors caused by metabolites from microorganisms A technique for measuring synergy effects between odorants The identification of the characterizing aroma-active compounds of tropical fruits with high economic potential The parameters utilized during the production of aqueous formulations rich in pyrazines How spectral deconvolution can be used to speciate the subtle differences in essential oil content and track key ingredients through the manufacturing process The final chapter summarizes chemical identities of characterizing aroma chemicals in fruits, vegetables, nuts, herbs and spices, and savory and dairy flavors. It also provides a brief compendium of the characterization of off-flavors and taints that are reported in foods. With contributions from a distinguished panel of international experts, this volume provides chemists and researchers with the latest techniques for analyzing and enhancing food flavor and fragrance.

This book is a collection of selected papers presented at the symposium titled "In situ Spectroscopy in Monomer and Polymer Synthesis," held at the April, 2001 ACS National Meeting in San Diego, California, USA. The co-organizers of this symposium were Timothy Long, Judit E. Puskas, Robson F. Storey, and J. Andrews. In situ spectroscopic monitoring is gaining popularity both in academia and industry. FfIR monitoring is used most frequently, but UV-visible, raman, and NMR spectroscopy are also important. This book concentrates mostly on FfIR monitoring, both in the near and mid-infrared ranges. The first chapter is a short general overview of FfIR spectroscopy, followed by the symposium contribu tions. We thought that this would be especially useful for student readers. We hope that the book will present a state-of-the-art overview of research related to in situ spectroscopic monitoring. -Judit E. Puskas ix Acknowledgments This book would not have been possible without the dedicated effort of the chapter contributors and the symposium committee: Professor Judit E. Puskas Professor Timothy Long Professor Robson F. Storey Professor J. Andrews The symposium was financially supported by: ACS-Petroleum Research Fund REMSPEC Co. Wyatt Technology Co."

This thesis describes the results of angle resolved photoemission spectroscopy experiments on delafossite oxide metals, and theoretical work explaining these observations. The study was motivated by the extraordinarily high conductivity of the non-magnetic delafossites PdCoO2 and PtCoO2, the measurement of whose electronic structure is reported and discussed. Two unexpected effects were observed in the course of the investigation; each is described and analysed in detail. Firstly, a previously unrecognised type of spectroscopic signal, allowing the non-magnetic probe of photoemission to become sensitive to spin-spin correlations, was observed in the antiferromagnetic PdCrO2. Its origin was identified as the Kondo-like coupling of itinerant and Mott insulating electrons. Furthermore, surface states exhibiting an unusually large Rashba-like spin-splitting were observed on the transition metal terminated surfaces of delafossites. The large inversion symmetry breaking energy scale, a consequence of the unusual structure of the surface layer, is identified as the origin of the effect.

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.

The book reviews photosynthetic water oxidation and proton-coupled electron transfer in photosystem, focusing on the molecular vibrations of amino acid residues and water molecules. Photosynthetic water oxidation performed by plants and cyanobacteria is essential for the sustenance of life on Earth, not only as an electron source for synthesizing sugars from CO2, but also as an O2 source in the atmosphere. Water oxidation takes place at the Mn4CaO5 cluster in photosystem II, where a series of electron transfer reactions coupled with proton transfer occur using light energy. The author addresses the unresolved mechanisms of photosynthetic water oxidation and relevant proton-coupled electron transfer reactions using a combined approach of experimental and computational methods such as Fourier transform infrared difference spectroscopy and quantum chemical calculations. The results show that protonation and hydrogen-bond structures of water molecules and amino acid residues in the protein play important roles in regulation of the electron and proton transfer reactions. These findings and the methodology make a significant contribution to our understanding the molecular mechanism of photosynthetic water oxidation.