The current interest in developing novel materials has motivated an increasing need for biological and medical studies in a variety of dinical applications. Indeed, it is dear that to achieve the requisite mechanical, chemical and biomedical properties, especially for new bioactive materials, it is necessary to develop novel synthesis routes. The tremendous success of materials science in developing new biomaterials and fostering technological innovation arises from its focus on interdisciplinary research and collaboration between materials and medical sciences. Materials scientists seek to relate one natural phenomenon to the basic structures of the materials and to recognize the causes and effects of the phenomena. In this way, they have developed explanations for the changing of the properties, the reactions of the materials to the environment, the interface behaviors between the artificial materials and human tissue, the time effects on the materials, and many other natural occurrences. By the same means, medical scientists have also studied the biological and medical effects of these materials, and generated the knowledge needed to produce useful medical devices. The concept of biomaterials is one of the most important ideas ever generated by the application of materials science to the medical field. In traditional materials research, interest focuses primarilyon the synthesis , structure, and mechanical properties of materials commonly used for structural purposes in industry, for instance in mechanical parts of machinery.

Preface by Sir Harold W. Kroto, FRS Although the discovery of C60 is now almost 15 years old and the extraction occurred 60 nearly ten years ago it is amazing that the range of spin-off research still seems to expand without limits. The birth of the Fullerenes has spawned fascinating research programmes in almost every area of chemistry and physics and this monograph explores a particularly interesting and important area - the behaviour of these pure carbon cages in the presence of high-energy radiation. The C molecules must also be in the space 60 between the stars (albeit in quantities too small to detect at this time) as the conditions in the atmospheres of some carbon stars appear to be almost identical to the plasmas generated in the Kratschmer-Huffman system for making C60. The conditions in space 60 are very varied as it is pervaded by a plethora of high-energy particles (photons, cosmic rays, etc.) and the chapters in this book discuss, among other things, the response of C60 and various derivatives to probing by a range of high-energy particles. Various fullerenes and fullerene salts have been examined by positron annihilation techniques, revealing details of their electronic and structural properties as well as phase transition behaviour. Muons have been implanted to enable mSR techniques to probe with high sensitivity the endohedral electronic structures of fullerenes including those in superconducting systems. Mossbauer spectroscopy can give valuable information about the interactions in certain types of organometallic complexes and in particular it can reveal the degree of charge transfer in endohedral species. Nuclear irradiation/radiochemical analytical techniques have been applied resulting in information ranging widely from the stability of the fullerene cage containing endohedral metal atoms in various oxidation states to pharmaceutical studies of the distribution of fullerenes in the internal organs of animals. Time resolved pulsed radio lysis provides information at high sensitivity enabling micromolar concentrations to be probed e.g. C60 in water in which it is almost insoluble! Redox and rate constant measurements have given useful information on photolytically generated radical ion pairs involving a variety of fullerenes. Interesting accounts of observations involving the production of rare gas endohedral species by nuclear recoil have revealed information about the recoil mechanism. From the first moment of its discovery the unique cage structure of C60 initiated thoughts about the interesting possibility of encapsulation of atoms and molecules. One possibility that immediately suggested itself was the isolation of chemically toxic radionuclides by encapsulation in the (supposedly chemically innocuous) cage for pharmaceutical purposes. The possibility of creating cages carrying a radioactive atom inside the cage and moieties outside with molecular recognition capabilities is a most exciting prospect and discussion is included of some important first steps aimed at achieving this fascinating breakthrough. Another problem dealt with in this monograph is the effect of elemental impurities which has, as our studies progress, become more and more a matter of concern and interest. Impurities can have important effects on the observed physical and chemical behaviour of fullerenes, especially when very sensitive probe techniques are applied. This valuable book reviews some detailed studies of fundamental properties of fullerenes, which are leading to a deeper understanding of their behaviour in the presence of high energy radiation. The information obtained already and that which will be garnered in future studies of the kind described here is an absolutely necessary prerequisite for success in applications.

Biological inorganic chemistry is a field of research at the interface of inorganic and biological chemistry. The rapidly developing insights into the role of metals in biological systems has far-reaching implications not only for biological science but also for related disciplines, ranging from molecular medicine to the environment. In each volume the reader, whether engaged in chemistry, biochemistry, biology or molecular medicine, receives a comprehensive summary and critical overview of a topic of high current interest written by leading international experts.

For almost a quarter of a century the words "nuclear magnetic reso nance" were synonymous with proton I, leasurements. During this period the literature abounded with a seemingly infinite variety of 1H NHR studies concerned primarily with carbon chemistry. Occasionally a "novel" nucleus was studied and, even in those early days, the poten- 13 14 31 19 tial offered by C, N, P and F was clearly recognized. Despite the allure, the technical difficulties involved in measuring some of these nuclei were far from trivial. Small magnetic moments and low natural abundance in combination with spin-spin coupling from other nuclei, mostly protons, resulted in a signal-to-noise problem whose severity effectively excluded the study of metal complexes with unfa vorable solubility characteristics. The first important breakthrough came with the advent of broad band 1H-decoupling. For example, the featureless broad 31p resonance associated with the commonly used ligand triphenyl phosphine is converted to a sharp, more readily ob served singlet when wide-band decoupling is employed (see Fig. 1). Despite this improvement investigation of more interesting molecules, such as catalytically active complexes was forced to await the devel opment of Fourier Transform methods since only with relatively rapid signal averaging methods could sufficient signal-to-noise ratios be achieved."

We have used in Vol.2 the same structural scheme similar they are organized alphabetically, just for as used in Vol. 1. convenience in consulting.The alphabetical order We used as the list of minerals the reference is provisional, it is not an important aspect of the book Mineral Reference Manual by Nickel and classification, and willtend to disappear. Nichols, edited by Van Nostrand Reinhold, New In Vol. 1 some condensed model sheets were York, 1991, and we first organized the minerals by presented to illustrate the simplicityof the patterns chemical formulas, from the simpler to the more of the packing layers of the A, AmB and ApBqC n r complex (Tables 73 to 172), as presented on page close-packed minerals (Tables lL to 17Lof Vol.1). 1of Vol.1.The results of the structural studywere The aim was to stimulate the complete systematic ordered by structural formulas (Tables 27S to derivation of the simple mineral close-packed 59S). Then we summarized the classified structure structures, as was tried by the author (Lima-de- types (not including the tentatively classified) in Faria (1965) Zeit. Krist., 122, 359-374). In Vol. 2 Tables 60S to 61S. Finally we presented some the layers are more complex and the correspond- global results (Tables 62S and 63S). ing condensed models sheets were not included. In certain cases the general chemical and the The reader should refer to the book Structural structural formulas may be difficult to compare.

The literature on the geology, chemistry, and biochemistry of phosphorus generally takes its mineralogy for granted. The in cidental information on phosphate minerals given in these texts is often obsolescent and inaccurate. The few mineralogical texts that have dealt comprehensively with the phosphate minerals have now become outdated, and typically present the essential information in a manner unsuitable for nongeological readers. This volume is intended as a ready reference for workers who require good basic information on phosphate minerals or their synthetic equivalents. The topics covered should appeal to geologists and geochemists, lithologists, environmental scientists and engineers, chemists and biochemists who have any interest in the intricate world of phosphorus. The hard tissues of many vertebrates and the many pathological calcifications consist mostly of phosphate minerals. The precipita tion of these compounds also plays a major role in the ecological cycling of phosphorus, and occasionally even dominates the behavior of many trace metals in many geochemical and biolog ical systems. Indeed, many pegmatitic phosphate minerals have acquired some notoriety because of the rarer trace metals which they tend to accumulate. With the commercialization of phosphate fertilizers since the early part of the 19th century, phosphate minerals have assumed an important role in industrial chemistry and agriculture. Clearly, the study of phosphate minerals is important from the economic, agricultural, environmental and (human and animal) health viewpoint."

The book emphasizes various aspects of processing secondary sources for recovery of uranium. The field of secondary resource processing is gaining ground over the last few years as it is eco-friendly, economical and in tune with the philosophy of sustainable development. The book is the first one of its type in the area and includes a succint and comprehensive description of related areas of ore mineralogy, resource classification, processing principles involved in uranium solubilisation followed by separation and safety aspects. The clear organisation and the carefully selected figures and tables makes the treatment invaluable for practising engineers, research workers and academic institutions.

Providing in a single volume all essential information on the physical properties of alkali halides, this book will be a valuable reference for solid-state physicists and materials scientists.

The fundamental physics of metallic magnetism is not yet satisfactorily understood and continues to be interesting. For instance, although the detail is yet to be clarified, magnetism is anticipated to be playing a principal role in producing the high Tc superconductivity of the oxides. This book has two major objectives. First, it intends to provide an introduction to magnetism of metals in a broad sense. Besides pursuing the mechanism of metallic magnetism itself, it attempts to fmd and actively analyze magnetic causes hidden hitherto unnoticed behind various physical phenomena. My foremost goal is to expose the fundamental role played by phonons in the mechanism of metallic magnetism. I demonstrate how such a view also helps to elucidate a broad spectrum of other observations. The second objective is to concisely introduce the standard many-body points of view and techniques necessary in studying solid physics in general. The book is intended to be self-contained and starts with Chapter I containing a brief summary on the rudiments of quantum mechanics and statistical mechanics including the method of second quantization. In the same spirit, the foundation of magnetism in general is summarized in Chapter 2 and that for metals in particular, the Stoner theory, in Chapter 3. In Chapter 4, various linear responses of metallic electrons are systematically discussed with emphasis on the role of magnetism in them.

'A comprehensive review of the current state of the theoretical development in this important area of potential application of conducting polymers, and is very timely...The editor-author is to be congratulated for his marathon efforts and the production of a significant contribution to the literature.' -TRIP This three-part series provides undergraduate and graduate students in electrochemistry and materials science with a broad understanding of electroactive polymers. In Part I, renowned scientists examine the fundamental principles underlying electrochemical behavior of electroactive polymer materials. Contributors focus on the fundamentals of charge percolation and conductivity behavior associated with the membrane properties of electroactive polymer films. Part I also includes coverage of the phenomenon of heterogeneous redox catalysis at electroactive polymer modified electrodes.

A lively demonstration of the great vitality and the multidisciplinary character of cluster research and of the usefulness of synthesizing its various aspects was given at this symposium. This volume covers all aspects of the physical and chemical properties of free and supported clusters or small particles: static, dynamical, electronic, magnetic and optical properties, adsorption and chemical phenomena. It thus gives a complete overview of the status of the field and its development.

With the development of science and technology, more and more complex materials such as porous materials, ion liquid, liquid crystals, thin ?lms and colloids etc. are being developed in laboratories. However, it is dif?cult to prepare these advanced materials and use them on a large scale without some experience. Therefore, mo- cular thermodynamics, a method that laid emphasis on correlating and interpreting the thermodynamic properties of a variety of ?uids in the past, has been recently employed to study the equilibrium properties of complex materials and establish thermodynamic models to analyse the evolution process of their components, - crostructures and functions during the preparation process. In this volume, some important progress in this ?eld, from fundamental aspects to practical applications, is reviewed. In the ?rst chapter of this volume, Prof. Jianzhong Wu presents the application of Density Functional theory (DFT) for the study of the structure and thermodynamic properties of both bulk and inhomogeneous ?uids. This chapter presents a tut- ial overview of the basic concepts of DFT for classical systems, the mathematical relations linking the microstructure and correlation functions to measurable th- modynamic quantities, and the connections of DFT with conventional liquid-state theories. While for pedagogythe discussion is limited to one-componentsimple - ids, similar ideas and concepts are directly applicable to mixtures and polymeric systems of practical concern. This chapter also covers a few theoretical approaches to formulate the thermodynamic functional

Since the first application of dendrimers in catalysis in the mid 1990s, this field has advanced rapidly. As a consequence, catalytically active dendrimers have emerged as a class of molecular catalysts that has substantially enriched the field of homogeneous (and in part heterogeneous) catalysis. A general survey of transition metal dendrimer catalysts and the way they have developed is followed by in-depth discussions of dendritic transition metal catalysis based on non-covalent catalyst-support interaction and an overview of the rapidly growing field of stereoselective dendrimer catalysis. The development of dendrimer-encapsulated bimetallic nanoparticles has provided the interface with heterogeneous colloid catalysis. As cheaper and readily accessible alternatives to regular dendrimers, hyperbranched polymers are increasingly being used as catalyst platforms. These topics are complemented by a review of metallodendritic exoreptors for the redox recognition of oxo-anions and halides.

Nature has long used nucleic acid aptamers and enzymes for regulatory activities, such as the recently discovered "riboswitches" involved in gene expression. The existence of a large array of natural and artificial functional nucleic acids has generated tremendous enthusiasm and new opportunities for molecular scientists from diverse disciplines to devise new concepts and real applications that take advantage of those nucleic acids for sensing and other analytical applications. This book provides a timely and comprehensive overview of recent advances in the field, from leading experts in biology, chemistry, and engineering. A variety of topics are covered, from fundamentals of functional nucleic acids, to their applications as sensors, to nanotechnologies; as well as integration of functional nucleic acids into practical analytical systems.

Using the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. The energy levels for a variety of spins are generated and the modeling of the magnetization, the magnetic susceptibility and the heat capacity is done. Theoretical formulae necessary in performing the energy level calculations for a multi-term system are prepared with the help of the irreducible tensor operator approach. The goal of the programming lies in the fact that the entire relevant matrix elements (electron repulsion, crystal field, spin-orbit interaction, orbital-Zeeman, and spin-Zeeman operators) are evaluated in the basis set of free-atom terms. The modeling of the zero-field splitting is done at three levels of sophistication. The spin-Hamiltonian formalism offers simple formulae for the magnetic parameters by evaluating the matrix elements of the angular momentum operator in the basis set of the crystal-field terms. The magnetic functions for dn complexes are modeled for a wide range of the crystal-field strengths.

Palladium is a remarkable metal. In particular, organopalladium chemistry has made remarkable progress over the last 30 years. That progress is still continuing, without any end in sight. This book presents a number of accounts and reviews on the novel Pd-catalyzed reactions discovered mainly in the last five years. The book covers Pd-catalyzed reactions that are new entirely different from the more standard ones. Topics such as new reactions involving ss-carbon elimination and formation of palladacycles as key reactions, cross-coupling of unactivated alkyl electrophiles with organometallic compounds, arylation via C-H bond cleavage, Pd/norbornene-catalyzed aromatic functionalizations, three-component cyclizations of allenes, use of N-heterocyclic carbenes as ligands, asymmetric reactions catalyzed by Pd(II) compounds such as Lewis acids, cycloadditions of arynes and alkynes, and nucleophilic attack by Pd species are surveyed in detail by researchers who have made important contributions to these fields. The book addresses graduate students majoring in organic synthesis and researchers in academic and industrial institutes."

''Biopolymers'' are polymeric materials of biological origin, including globular, membrane, and fibrous proteins, polypeptides, nucleic acids, po- saccharides, lipids, etc. and their assembly, although preference to respe- ive subjects may be different among readers who are more interested in their biological significance or industrial and/or medical applications. Nevert- less, characterizing or revealing their secondary structure and dynamics may be an equally very important and useful issue for both kinds of readers. Special interest in revealing the 3D structure of globular proteins, nucleic acids, and peptides was aroused in relation to the currently active Structural Biology. X-ray crystallography and multidimensional solution NMR sp- troscopy have proved to be the standard and indispensable means for this purpose. There remain, however, several limitations to this end, if one intends to expand its scope further. This is because these approaches are not always straightforward to characterize fibrous or membrane proteins owing to extreme difficulty in crystallization in the former, and insufficient spectral resolution due to sparing solubility or increased effective molecular mass in the presence of surrounding lipid bilayers in the latter.

This series presents critical reviews of the present position and future trends in modern chemical research concerned with chemical structure and bonding. It contains short and concise reports, each written by the world's renowned experts. The series is still valid and useful after five or ten years. More information is available at springerlink.com along with the electronic version of the whole content.

Bioorganometallic Chemistry has become a mature area of science and is comprehensively covered by leading experts in this book. Naturally occuring bioorganometallic complexes, such as vitamin B12 and recently discovered iron and nickel hydrogenases, including a possible role of the latter in the geochemical theory of the origin of life, are considered. The possible formation of carbene complexes of cytochrome P450 enzymes in various metabolisms of xenobiotics is also discussed. The bioorganometallic chemistry is considered to provide not only organometallic receptors such as polynuclear organometallic macrocycles for biologically interesting molecules but also ferrocene-peptide bioconjugates giving a peptidomimetic basis for protein folding. The medicinal properties of organometallic compounds are reviewed, with notable applications in the treatment and diagnosis of cancer and in the treatment of viral, fungal, bacterial and parasitic infections. Therefore the reader will get a balanced view of this rapidly developing and promising area.

The book covers the recently discovered oxidative process driven by zero-valent iron (ZVI) in the presence of oxygen and a further developed system which is named ZEA (Zero-valent iron, EDTA, Air). Future potential applications for en- ronmentalremediationusingthisprocessarealsodiscussed. Theoxidativeprocess wasdiscoveredduringthecourseofmolinate(athiocarbamateherbicide)degra- tion experiments. Both ferrous iron and superoxide (or, at pH < 4. 8, hydroperoxy) radicals appear to be generated on corrosion of the ZVI with resultant production of strongly oxidizing entities capable of degrading the trace contaminant. Fenton oxidationandoxidativeby-productswereobservedduringnanosizedZVI(nZV- mediateddegradationofmolinateunderaerobicconditions. Toassessthepotential applicationofnZVIforoxidativetransformationoforganiccontaminants,thec- version of benzoic acid (BA) to p-hydroxybenzoic acid (p-HBA) was used as a probe reaction. When nZVI was added to BA-containing water, an initial pulse of p-HBA was detected during the ?rst 30 minutes, followed by the slow generation of additional p-HBA over periods of at least 24 hours. The ZEA system showed that chlorinated phenols, organophosphorus and EDTA have been degraded. The mechanism by which the ZEA reaction proceeds is hypothesized to be through reactive oxygen intermediates. The ZVI-mediated oxidation and ZEA system may be useful for in situ applications of nZVI particles and may also provide a means of oxidizing organic contaminants in granular ZVI-containing permeable reactive barriers. The purpose of this book is to provide information on the recently discovered chemical process, which could revolutionize the treatment of pesticides and c- taminated water. It also aims to offer signi?cant insights to the knowledge for potential applications of ZVI-based technology. Oxidative degradation of herbicides (e. g.

Im Rahmen dieser Arbeit wurde ein Niedertemperatur Sol-Gel Verfahren zur Beschichtung von Silizium und Edelstahl mit Aluminiumhydroxidfluoriden und reinen Aluminiumfluoriden entwickelt. Diese Schichten wurden auf ihre Verwendbarkeit in der Katalyse, aber auch auf ihre optischen Eigenschaften hin untersucht. Die mit Hilfe eines neuartigen fluorolytischen Sol-Gel Verfahrens und mit der spin und dip coating Technik hergestellten Schichten auf Silizium und Edelstahl wurden mit der Rasterkraftmikroskopie auf ihre morphologische Struktur, mit der Photoelektronenspektroskopie auf ihre chemische Zusammensetzung und mit der Ellipsometrie auf ihre optischen Eigenschaften und die Schichtdicke untersucht. Die Schichten wurden auf ihre katalytischen Eigenschaften in der Dismutierungsreaktion von R22 hin untersucht. Hierbei wurde die Photoelektronenspektroskopie eingesetzt, um Ver nderungen in der Zusammensetzung zu dokumentieren. Das Verh ltnis zwischen dem Edukt und den Produkten und damit die Aktivit t der Schichten wurde mit Hilfe der Gaschromatographie bestimmt. Es musste zus tzlich eine in situ Kammer f r die Katalyseexperimente in Kombination mit der Photoelektronenspektroskopie konzipiert und angefertigt werden, da die katalytisch aktive Spezies luft- und feuchtigkeitsempfindlich sein k nnte. Die katalytische Aktivit t der Aluminiumhydroxidfluoride und der Schichten sind dabei vergleichbar. HS-AlF3 besitzt erwartungsgem eine h here katalytische Aktivit t. Um eine qualitative Aussage ber die Lage sowohl der Bindungsenergie der Photoelektronen als auch der kinetischen Energie der Augerelektronen und dem daraus resultierenden modifizierten Augerparameter a' treffen zu k nnen, wurde eine umfangreiche Referenzsubstanzdatenbibliothek angefertigt. Mit Hilfe des Wagnerplots konnte gezeigt werden, dass egal welche Precursoren mit R22 nachfluoriert wurden, ein den reinen Aluminiumfluoridphasen sehr hnliches Produkt entsteht. Die auf Siliziumsubstrat abgeschiedenen Schichten kon

Fundamental QSARs for Metal Ions describes the basic and essential applications of quantitative structure-activity relationships (QSARs) for regulatory or industrial scientists who need to predict metal ion bioactivity. It includes 194 QSARs that have been used to predict metal ion toxicity and 86 QSARs that have been used to predict metal ion bioconcentration, biosorption, and binding. It is an excellent sourcebook for academic, industrial, and government scientists and policy makers, and provides a wealth of information on the biological and chemical activities of metal ions as they impact health and the environment. Fundamental QSARs for Metal Ions was designed for regulatory and regulated organizations that need to use QSARs to predict metal ion bioactivity, as they now do for organic chemicals. It has the potential to eliminate resources to test the toxicity of metal ions or to promulgate regulations that require toxicity testing of metal ions because the book illustrates how to construct QSARs to predict metal ion toxicity. In addition, the book: Provides a historical perspective and introduction to developing QSARs for metal ions Explains the electronic structures and atomic parameters of metals essential to understanding differences in chemical properties that influence cation toxicity, bioconcentration, biosorption, and binding Describes the chemical properties of metals that are used to develop QSARs for metal ions Illustrates the descriptors needed to develop metal ion-ligand binding QSARs Discusses 280 QSARs for metal ions Explains the differences between QSARs for metal ions and Biotic Ligand Models Lists the regulatory limits of metals and provides examples of regulatory applications Illustrates how to construct QSARs for metal ions Dr. John D. Walker is the winner of the 2013 SETAC Government Service Award.

Functional materials research is one of the high priority strategic areas of - st velopmentinscienceandtechnologyinthe21 century.Amongstthevarietyof functions,theinteractionofmatterwithlighttogeneratelight-drivenorpho- responsive properties has always been one of the most appealing and attr- tive areas. Recent advances in the exploitation of transition metal complexes in bringing about photo-induced functions have attracted growing attention, particularly in areas related to materials, energy, and biomedical research. Selected examples include the development of molecular triplet emitters for organic light-emitting devices (OLEDs), optical and photo-switches, pho- chemical energy storage, dye-sensitized solar cells, photochemical molecular devices(PMD)andmachines,opticalandluminescenceprobesandchemos- sors,luminescentlabelsandtagsforbiomolecules,andluminescencesignaling and imaging. This volume serves to provide the readers with some fundamentals of - minescent transition metal complexes and the recent exciting developments of a selected variety of functions and potential applications that transition metal complexes can offer for the betterment of the society in areas related to materials, energy, and biomedical research. The ?rst chapter of this volume by Balch discussed the current progress in two-coordinate luminescent gold(I) complexes. This class of complexes is well-known to show weak metal***metal interactions that lead to the iso- tionofnovel architecturesand polymorphism fromrelatively simple building blocksandtheappearanceofuniqueelectronicabsorptionandemissionsp- troscopicfeatures.Theeffectoftheenvironment,suchassolventsandcounter ions, on the luminescence behavior of a number of two-coordinate gold(I) complexes was discussed.