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This book presents two main sets of paper-based analytical systems. The first set is a platform for the analysis of glucose, cholesterol and uric acid in biological samples, and the second set is a cutting-edge electronic tongue system for the analysis of beverages (mineral water, beer, wine). This thesis also provides an extensive review of 33 methods of enzyme immobilization on paper which have been evaluated to enhance the storage stability of the proposed system for biomarker detection. From a practical perspective, this thesis covers a diverse set of topics related to paper-based sensing, including colorimetric and electrochemical detection methods, different sets of architecture (spot-tests, lateral and tangential flow assays), methods of fabrication (wax printing, cutting, impregnation with polymers), measurements in stationary and flow conditions as well computer modeling of proposed systems and sophisticated data analysis using chemometric techniques. This book is useful for PhD students working in this or a related field who require detailed information about methodology and background to this research.
In simple language, without mathematics, this book explains the strange and exciting ideas that make the subatomic world so different from the world of the every day. It offers the general reader access to one of the greatest discoveries in the history of physics and one of the oustanding intellectual achievements of the twentieth century.
Manuel Kroiss examines the differentiation of hematopoietic stem cells using machine learning methods. This work is based on experiments focusing on the lineage choice of CMPs, the progenitors of HSCs, which either become MEP or GMP cells. The author presents a novel approach to distinguish MEP from GMP cells using machine learning on morphology features extracted from bright field images. He tests the performance of different models and focuses on Recurrent Neural Networks with the latest advances from the field of deep learning. Two different improvements to recurrent networks were tested: Long Short Term Memory (LSTM) cells that are able to remember information over long periods of time, and dropout regularization to prevent overfitting. With his method, Manuel Kroiss considerably outperforms standard machine learning methods without time information like Random Forests and Support Vector Machines.
Electrolyte solutions play a key role in traditional chemical industry processes as well as other sciences such as hydrometallurgy, geochemistry, and crystal chemistry. Knowledge of electrolyte solutions is also key in oil and gas exploration and production, as well as many other environmental engineering endeavors. Until recently, a gap existed between the electrolyte solution theory dedicated to diluted solutions, and the theory, practice, and technology involving concentrated solutions. Electrolytes: Supramolecular Interactions and Non-Equilibrium Phenomena in Concentrated Solutions addresses concentrated electrolyte solutions and the theory of structure formation, super and supramolecular interactions, and other physical processes with these solutions-now feasible due to new precision measurement techniques and experimental data that have become available. The first part of the book covers the electrolyte solution in its stationary state-electrostatic, and various ion-dipole, dipole-dipole, and mutual repulsion interactions. The second part covers the electrolyte solution in its nonstationary status, in the case of forced movement between two plates-electrical conductivity, viscosity, and diffusion. This theoretical framework allows for the determination of activity coefficients of concentrated electrolyte solutions, which play a key role in many aspects of electrochemistry and for developing novel advanced processes in inorganic chemical plants.
This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations.
Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulaeIntroductory use of density matrix techniques for interpreting properties of many-body systemsAn introduction to valence bond methods with an explanation of the origin of the chemical bondA unified presentation of basic elements of atomic and molecular interactions
The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.
Following elucidation of the basics of thermodynamics and detailed explanation of chemical kinetics of reactive mixtures, readers are introduced to unique and effective mathematical tools for the modeling, simulation and analysis of chemical non-equilibrium phenomena in combustion and flows. The reactor approach is presented considering thermochemical reactors as the focal points. Novel equations of chemical kinetics compiling chemical thermodynamic and transport processes make reactor models universal and easily applicable to the simulation of combustion and flow in a variety of propulsion and energy generation units. Readers will find balanced coverage of both fundamental material on chemical kinetics and thermodynamics, and detailed description of mathematical models and algorithms, along with examples of their application. Researchers, practitioners, lecturers, and graduate students will all find this work valuable.
Martin Fleischmann was truly one of the fathers of modern electrochemistry having made major contributions to diverse topics within electrochemical science and technology. These include the theory and practice of voltammetry and in situ spectroscopic techniques, instrumentation, electrochemical phase formation, corrosion, electrochemical engineering, electrosynthesis and cold fusion. While intended to honour the memory of Martin Fleischmann, Developments in Electrochemistry is neither a biography nor a history of his contributions. Rather, the book is a series of critical reviews of topics in electrochemical science associated with Martin Fleischmann but remaining important today. The authors are all scientists with outstanding international reputations who have made their own contribution to their topic; most have also worked with Martin Fleischmann and benefitted from his guidance. Each of the 19 chapters within this volume begin with an outline of Martin Fleischmann s contribution to the topic, followed by examples of research, established applications and prospects for future developments. The book is of interest to both students and experienced workers in universities and industry who are active in developing electrochemical science.
This Thesis in biological physics has two components, describing the use of X-ray scattering techniques to study the structure of two different stacked lipid membrane systems. The first part focuses on the interaction between a short 11-mer peptide, Tat, which is part of the Tat protein in the HIV-1 virus. Although highly positively charged, the Tat protein has been shown to translocate through hydrocarbon lipid bilayers easily, without requiring the cell's energy, which is counter to its Born self-energy. In this work Tat's location in the headgroup region was demonstrated using a combined X-ray scattering and molecular dynamics approach. Bilayer thinning was observed as well as softening of different membrane mimics due to Tat. It was concluded that Tat's headgroup location, which increases the area/lipid, and its bilayer softening likely reduce the energy barrier for passive translocation. The second part is a rigorous investigation of an enigmatic phase in the phase diagram of the lipid dimyristoylphosphatidylcholine (DMPC). The ripple phase has fascinated many researchers in condensed matter physics and physical chemistry as an example of periodically modulated phases, with many theoretical and simulation papers published. Despite systematic studies over the past three decades, molecular details of the structure were still lacking. By obtaining the highest resolution X-ray data so far, this work revealed the complex nature of the chain packing, as well as confirming that the major side is thicker than the minor side of the saw-tooth ripple structure. The new model shows that the chains in the major arm are tilted with respect to the bilayer normal and that the chains in the minor arm are slightly more disordered than all-trans gel-phase chains, i.e., the chains in the minor arm are more fluid-like. This work provides the highest resolution X-ray structure of the ripple phase to-date.
Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting. Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most important catalysts discovered today based on first and second row transition metals. A strong emphasis is placed on the description of their performance, as well as how they work from a mechanistic perspective. In addition, a theoretical description of some of the most relevant catalysts based on DFT are presented, as well as a description of related natural systems, such as the oxygen evolving system of photosystem II and the heme chlorite-dismutase. This book is a valuable resource for researchers working on water oxidation catalysis, solar energy conversion and artificial photosynthesis, as well as for chemists and materials scientists with a broad interest in new sustainable energy conversion schemes.
Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and how to compute it from basic microscopic principles, and generalized hydrodynamics.
The Student Solutions Manual to accompany Atkins' Physical Chemistry 11th Edition provides full worked solutions to the 'a' exercises, and the odd-numbered discussion questions and problems presented in the parent book. The manual is intended for students and provides helpful comments and friendly advice to aid understanding.
This volume collects research findings presented at the 9th Edition of the Electronic Structure: Principles and Applications (ESPA-2014) International Conference, held in Badajoz, Spain, on July 2-4, 2014. The contributions cover research work on theory, methods and foundations, materials science, structure and chemical reactivity as well as environmental effects and modelling. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.
In this thesis, real-time evolution of the nanopore channel growth and self-ordering process in anodic nanoporous alumina are simulated on the basis of an established kinetics model. The simulation results were in accordance with the experiments on the (i) growth sustainability of pore channels guided by pre-patterns; and (ii) substrate grain orientation dependence on self-ordering. In addition, a new fabrication method for the rapid synthesis of highly self-ordered nanoporous alumina is established, based on a systematic search for the self-ordering conditions in experiments. Lastly, it reports on a novel surface-charge induced strain in nanoporous alumina-aluminium foils, which indicates that nanoporous alumina can be used as a new type of actuating material in micro-actuator applications.
The demands of production, such as thin films in microelectronics, rely on consideration of factors influencing the interaction of dissimilar materials that make contact with their surfaces. Bond formation between surface layers of dissimilar condensed solids-termed adhesion-depends on the nature of the contacting bodies. Thus, it is necessary to determine the characteristics of adhesion interaction of different materials from both applied and fundamental perspectives of surface phenomena. Given the difficulty in obtaining reliable experimental values of the adhesion strength of coatings, the theoretical approach to determining adhesion characteristics becomes more important. Surface Physics: Theoretical Models and Experimental Methods presents straightforward and efficient approaches and methods developed by the authors that enable the calculation of surface and adhesion characteristics for a wide range of materials: metals, alloys, semiconductors, and complex compounds. The authors compare results from the proposed theories-developed within the framework of the electron density functional theory and dielectric formalism-to experimental data. The book begins with a discussion of the thermodynamics of surface phenomena and covers experimental and theoretical methods for studying surface characteristics of solids. Chapters describe calculations of surface and adhesion characteristics of metals using the density functional method. They also examine the calculation of adhesion characteristics of metals, semiconductors, and complex compounds based on dielectric formalism. In addition, the text covers dry friction, adsorption of metal atoms, and ferromagnetic films. The principles and methods presented in this book are useful in selecting optimum materials and coatings for various applications, including minimizing friction for increased efficiency of microelectronic components.
Electron correlation effects are of vital significance to the
calculation of potential energy curves and surfaces, the study of
molecular excitation processes, and in the theory of
electron-molecule scattering. This text describes methods for
addressing one of theoretical chemistry's central problems, the
study of electron correlation effects in molecules.
From blood to milk, pumice to gelatine, most scientists interact with colloids on a daily basis without any real knowledge of their nature. Building on the success of the first edition, "Colloids and Interfaces with Surfactants and Polymers Second Edition" is a user-friendly, non-technical introduction to colloids and interfaces.
Includes: Many practical examples of colloid and interface scienceAn enhanced section on fluorescence microscopy, a widely used technique in biological systems for the optical imaging of cellular structuresA new section on phenomenology (the principle of time/temperature superposition), which enables the experimentalist to extend the frequency range of their rheological instrumentsNew information on sedimentation and strategies for the control of sedimentation, which is critical in many dispersions of commercial importanceFresh treatments of traditional theoretical topics like the electrical double-layer, colloidal interactions, wetting behavior and light scattering, as well as more recent advances in polymer science, statistical mechanics and the use of neutronsIn-depth discussions of widely used techniques with mathematics used in a straight-forward way so quantitative descriptions of colloid and interface properties can be derived
"Colloids and Interfaces with Surfactants and Polymers Second Edition" explains all the fundamental concepts of colloids and interfaces as well as detailing some of the more advanced aspects which might be useful in specific applications. Intended for undergraduate and graduate courses in colloids and soft materials, the book is also relevant to those in the chemical, coatings, cosmetics, ceramics, food, pharmaceutical and oil industries.
For Powerpoint slides of all the figures in the book, please see the Instructor Companion website at http: //bcs.wiley.com/he-bcs/Books?action=index&bcsId=5121&itemId=0470518804
This book meets the long-felt need for a reference on ferrocenes with the focus on catalysis. It provides a thorough overview of the synthesis and characterization of different types of chiral ferrocene ligands, their application to various catalytic asymmetric reactions, and versatile chiral materials as well as drug intermediates synthesized from them. Written by the "who's who" of ferrocene catalysis, this is a guide to the design of new ferrocene ligands and synthesis of chiral synthetic intermediates, and will thus be useful for organic, catalytic and synthetic chemists working in academia, industrial research or process development.
With its list of contributors reading like a who's who, this is the
ultimate standard reference on phosphorus in catalysis. Clearly
divided into substance classes and spanning three volumes, it
provides readers with an excellent introduction to the multitude of
applications, backed by examples of optimal solutions.
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors. Readership: research scientists at universities or in industry, graduate students Special offer For all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.com
The series Topics in Heterocyclic Chemistry presents critical reviews on present and future trends in the research of heterocyclic compounds. Overall the scope is to cover topics dealing with all areas within heterocyclic chemistry, both experimental and theoretical, of interest to the general heterocyclic chemistry community. The series consists of topic related volumes edited by renowned editors with contributions of experts in the field.
As the first modern physical chemistry textbook to cover quantum mechanics before thermodynamics and kinetics, this book provides a contemporary approach to the study of physical chemistry. By beginning with quantum chemistry, students will learn the fundamental principles upon which all modern physical chemistry is built. The text includes a special set of "MathChapters" to review and summarize the mathematical tools required to master the material Thermodynamics is simultaneously taught from a bulk and microscopic viewpoint that enables the student to understand how bulk properties of materials are related to the properties of individual constituent molecules. This new text includes a variety of modern research topics in physical chemistry as well as hundreds of worked problems and examples.
A discussion of fundamental characteristics, theories and applications for liquid-liquid colloidal dispersions. It profiles experimental and traditional measurement techniques in a variety of emulsified systems, including rheology, nuclear magnetic resonance, dielectric spectroscopy, microcalorimetry, video enhanced microscopy, and conductivity.
The present volume is a collection of review articles highlighting the fundamental advances made in this area by the internationally acclaimed research groups , most of them being pioneers themselves and coming together for the first time.
This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied. Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.
The magneto luminous chemical vapor deposition (MLCVD) method is the perfect example of the "front-end green process." It employs an entirely new process that expends the minimum amount of materials in gas phase, yields virtually no effluent, and therefore requires no environmental remediation. Unlike the "back-end green process," which calls for add-on processes to deal with effluent problems, the newer MLCVD approach is a completely different phenomenon that has never been adequately described, until now.
Dispelling previous misconceptions and revealing new areas for investigation, Magneto Luminous Chemical Vapor Deposition describes the key process of dielectric breakdown of gas molecules under the influence of a magnetic field. It emphasizes behavioral distinctions between molecular gasses that cause plasma polymerization (such as methane and trimethylsilane) and mono-atomic gases (e.g., helium and argon) when dealing with the dielectric breakdown of the gas phase under low pressure. The author also reveals his minimum perturbation theory of biocompatibility. This is based on the realization that nanofilms prepared using MLCVD have unique, stable interfacial characteristics necessary to achieve a surface that can be tolerated in various biological environments.
The author presents alternating views based on NASA's recent discovery that a magnetic field burst from the earth triggers the inception of the aurora borealis. Detailing similarities between this phenomenon and the inception of the magneto luminous gas phase described in this book, the author proposes that proof of the one occurrence could shed light on the other. Expanding on the author's previous works, this book introduces new discoveries, highlights the newfound errors of previous assumptions, and juxtaposes many cutting-edge alternative views and anomalies associated with the field.
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