Molecular simulations are commonly used in physics, chemistry, biology, material science, engineering, and even medicine. This book provides a wide range of molecular simulation methods and their applications in various fields. It reflects the power of molecular simulation as an effective research tool. We hope that the presented results can provide an impetus for further fruitful studies.

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This Special Issue collates seven papers regarding the assessment or monitoring of hydrological disasters such as droughts and flood using remote sensing and geography information system (GIS) techniques.. The new published research focused on evaluations and models of various hydrological hazards such as droughts and floods. Furthermore, we include two original scientific articles addressing the subject of water quality. This Special Issue received investigations based on different techniques such as remote sensing, GIS, machine learning and monitoring. All papers present findings characterized as unconventional, provocative, innovative and methodologically new. Scientific findings presented in this Special Issue highlight how a combination of various modern analysis techniques (e.g., remote sensing, GIS) can improve our understanding of complex hydrological hazards such as droughts and floods. We hope that the research contained within this Special Issue is useful to the scientific community, policymakers and stakeholders at large in the field of hydrological hazards.

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Antenna-based sensors have gained significant attention in recent years, particularly within wireless sensor networks (WSNs), due to their strong potential for current and near-future applications. These systems offer broad utility across a wide range of fields, including military operations, emergency response, healthcare, environmental monitoring, and entertainment. Depending on the application, operating frequencies can span from UHF to millimeter-wave bands. To support the vision of the Internet of Things (IoT), new generations of sensors must become more immersive and seamlessly integrated into everyday environments and infrastructure. This requires innovative design methodologies and the exploration of novel materials to enable embedded sensors that are capable of communication while maintaining low power consumption. Recent research in this area focuses on improving both the design and performance analysis of antenna-based sensors. Key challenges include miniaturization, material integration, energy efficiency, and reliability across various use cases. Advancements in this field are essential to meeting future connectivity and sensing needs, driving forward the development of smart, networked systems.

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The great advances in information technology (IT) have implications for many sectors, such as bioinformatics, and has considerably increased their possibilities. This book presents a collection of 11 original research papers, all of them related to the application of IT-related techniques within the bioinformatics sector: from new applications created from the adaptation and application of existing techniques to the creation of new methodologies to solve existing problems.

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Energy transformation significantly redefines the business models of enterprises in the energy sector, putting difficult decisions before them in terms of both strategy and operationalization. This shift aligns with climate protection policies, Industry 4.0 principles, and advanced technologies like artificial intelligence, blockchain, and IoT. The technological revolution is set to significantly alter lifestyles and business operations in energy production, supply, and distribution. This revolution demands that managers equip their companies and staff for upcoming challenges, emphasizing customer relations, networking, eco-development, and energy efficiency. In addition, companies from the energy sector are particularly susceptible to macroeconomic and environmental factors, such as government regulations, fluctuations in demand, price pressure on commodity exchanges, and measures to prevent global warming and engage in the creation of renewable energy. Furthermore, the situation related to the SARS-CoV-2 pandemic has forced many companies to rethink their actions. However, some recorded a significant slowdown in technology implementation and research and development. We do not know whether the long-term effect will influence the energy paradigm. This work aims to create new theoretical and empirical works on changes to energy sector management, including new business models and the use of Industry 4.0 technology, and their impact on organizations, digitization, companies’ energy self-sufficiency, and investments supporting the so-called green economy.

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The analysis of cyclical macroeconomic phenomena is an important field of econometric research. In the recent past, research interests have de-emphasized quantitative forecasting exercises and have addressed the qualitative diagnosis of the relative stance of the economy regarding »upswing«, »recession«, or »boom« periods, i. e. the classification of the state of the economy into a limited number of discrete states. In this context the principal challenge is to reduce the multifaceted and sometimes abundant quantitative information about the business cycle to such qualitative statements in an efficient way. For more than six years this task was the focus of the project »Multivariate determination and analysis of business cycles« within the SFB 475 »Reduction of complexity in multivariate data structures«, funded by the German Research Foundation (DFG). The necessity for complexity reduction is, of course, not unique to business cycle analysis but is studied in many fields and in a number of ways. This broad interest in the reduction of problem dimensionality and in the appropriate combination of data and of theory caused the RWI Essen and the Statistical Department of the University of Dortmund in January 2002 to hold a workshop at the RWI Essen where the findings of this and similar projects were presented and discussed. The present publication collects revised versions of the papers presented at this workshop. Although the workshop took place some five years ago, these papers mark an importent juncture in the development of business cycle research.

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This is the first comprehensive investigation of the industrial sourcing and procurement practices throughout sixty-eight construction industry supply channels across seven major commodity sectors at all levels. London presents real-world case studies to combine theory and practice to describe the economic structural and behavioural characteristics of sectors integral to the construction industry performance. Construction Supply Chain Economics details 'everyday' experiences and procurement decisions made by people in firms in the industry related to projects as they seek out other firms to work with during the tendering stage. London creates a language that enables us to classify and understand behaviour and recognise the impact of our decisions on firms and projects within the industry. Construction Supply Chain Economics introduces a new model for mapping the construction sector of particular interest to construction management and economic researchers and to procurement decision makers, including policymakers and clients, as well as industry practitioners, such as contractors, consultants and materials suppliers.

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The chemistry of silicon has always been a field of major concern due to its proximity to carbon on the periodic table. From the molecular chemist’s viewpoint, one of the most interesting differences between carbon and silicon is their divergent coordination behavior. In fact, silicon is prone to form hyper-coordinate organosilicon complexes, and, as conveyed by reports in the literature, highly sophisticated ligand systems are required to furnish low-coordinate organosilicon complexes. Tremendous progress in experimental, as well as computational, techniques has granted synthetic access to a broad range of coordination numbers for silicon, and the scientific endeavor, which was ongoing for decades, was rewarded with landmark discoveries in the field of organosilicon chemistry. Molecular congeners of silicon(0), as well as silicon oxides, were unveiled, and the prominent group 14 metalloid proved its applicability in homogenous catalysis as a supportive ligand or even as a center of catalytic activity. This book focuses on the most recent advances in the coordination chemistry of silicon with transition metals as well as main group elements, including the stabilization of low-valent silicon species through the coordination of electron donor ligands. Therefore, this book is associated with the development of novel synthetic methodologies, structural elucidations, bonding analysis, and also possible applications in catalysis or chemical transformations using related organosilicon compounds.

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This reprint presents various aspects of the future grid, which is the next generation of the electrical grid and will enable the smart integration of conventional, renewable, and distributed power generation, energy storage, transmission and distribution, and demand management. Renewable energy is crucial in transitioning to a less carbon-intensive economy and a more sustainable energy system. The high penetration and uncertain power outputs of renewable energy pose great challenges to the stable operation of energy systems. The deployment of the smart grid is revolutionary, and also imperative around the world. It involves and deals with multidisciplinary fields such as energy sources, control systems, communications, computational generation, transmission, distribution, customer operations, markets, and service providers. Smart grids are emerging in both developed and developing countries, with the aim of achieving a reliable and secure electricity supply. Smart grids will eventually require standards, policy, and a regulatory framework for successful implementation. This reprint addresses the emerging and advanced green energy technologies for a sustainable and resilient future grid, and provides a platform to enhance interdisciplinary research and share the most recent ideas.

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Mainframe computers are the backbone of industrial and commercial computing, hosting the most relevant and critical data of businesses. One of the most important mainframe environments is IBM System z with the operating system z/OS. This book introduces mainframe technology of System z and z/OS with respect to high availability and scalability. It highlights their presence on different levels within the hardware and software stack to satisfy the needs for large IT organizations.

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In the last decade, wireless or wired sensor networks have attracted much attention. However, most designs target general sensor network issues including protocol stack (routing, MAC, etc.) and security issues. This book focuses on the close integration of sensing, networking, and smart signal processing via machine learning. Based on their world-class research, the authors present the fundamentals of intelligent sensor networks. They cover sensing and sampling, distributed signal processing, and intelligent signal learning. In addition, they present cutting-edge research results from leading experts.

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Im Rahmen der vorliegenden Arbeit wurde ein neues FT/ICR-Massenspektrometer in Betrieb genommen und auf die Besonderheiten beim Messen metalloider Cluster angepasst. Insbesonde wurden verschiedene metalloide Gallium-, Aluminium- und Germaniumcluster untersucht.

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This book is a collection of review articles and research articles, which was published in the Special Issue “Multifunctional Nanomaterials: Synthesis, Properties and Applications” of the International Journal of Molecular Sciences.

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This book explores topics in multivariate statistical analysis, relevant in the real and complex domains. It utilizes simplified and unified notations to render the complex subject matter both accessible and enjoyable, drawing from clear exposition and numerous illustrative examples. The book features an in-depth treatment of theory with a fair balance of applied coverage, and a classroom lecture style so that the learning process feels organic. It also contains original results, with the goal of driving research conversations forward. This will be particularly useful for researchers working in machine learning, biomedical signal processing, and other fields that increasingly rely on complex random variables to model complex-valued data. It can also be used in advanced courses on multivariate analysis. Numerous exercises are included throughout.

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Food safety is a major problem around the world, both with regard to human suffering and with respect to economic costs. Scientific advances have increased our knowledge surrounding the nutritional characteristics of foods and their effects on health. This means that a large proportion of consumers are much more conscious with respect to what they eat and their demands for quality food. Food quality is a complex term that includes, in addition to safety, other intrinsic characteristics, such as appearance, color, texture and flavor, and also extrinsic characteristics, such as perception or involvement.

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This Special Issue explores the cross-disciplinary approaches, methodologies, and applications of socio-environmental vulnerability assessment that can be incorporated into sustainable management. The volume comprises 20 different points of view, which cover environmental protection and development, urban planning, geography, public policymaking, participation processes, and other cross-disciplinary fields. The articles collected in this volume come from all over the world and present the current state of the world’s environmental and social systems at a local, regional, and national level. New approaches and analytical tools for the assessment of environmental and social systems are studied. The practical implementation of sustainable development as well as progressive environmental and development policymaking are discussed. Finally, the authors deliberate about the perspectives of social–environmental systems in a rapidly changing world.

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The assessment of semen quality is used to identify factors that influence sperm performance and diagnose male infertility. From the earliest works to the present day, a considerable number of analytical techniques have been developed. These tests study many aspects of the morphology and physiology of the spermatozoan; however, their ability to predict male fertility remains low. Some of these techniques have been automated, which can make the test results more objective, but others still require subjective evaluation. The introduction of computer-assisted sperm analysis (CASA) systems and flow cytometry has revolutionized sperm quality analysis in recent decades. However, the use of these advanced techniques remains experimental, with only a few of them having successfully led to practical applications in routine commercial semen evaluation. Future sperm biology research should focus on developing analytical techniques that have a greater capacity to predict male fertility and can be used in both the laboratory and the field. Field adaptation will require progress in automation and simplification, to produce precise, economical and efficient techniques. Nevertheless, as technology advances in these analytical tests and research continues, our greater understanding of male fertility will aid the development of new methods of sperm evaluation.

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This book is about supramolecular gold chemistry. This book provides a unique international forum aimed at covering a broad description of results involving the supramolecular chemistry of gold with a special focus on the gold–sulfur interface leading to hybrid materials ranging from gold–thiolate complexes to thiolate-protected gold nanoclusters and gold–thiolate supramolecular assemblies or nanoparticles. The role of thiolates on the structure and optical features of gold nanohybrid systems (ranging from plasmonic gold nanoparticles and fluorescent gold nanoclusters to self-assembled Au-containing thiolated coordination polymers) is highlighted in the 12 papers presented in this book.

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Ein wesentlicher Aspekt dieser Arbeit ist die Suche nach besseren Donorkomponenten für die, mit Hilfe der Kokondensationstechnik dargestellten, Germaniummonohalogenidlösungen.Des Weiteren befaßt sich die Arbeit mit der Folgechemie von metalloiden Germaniumclustern sowohl in Lösung, als auch in der Gasphase.

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Xenakis: His Life in Music is a full-length study of the influential contemporary composer Iannis Xenakis. Following the trajectory of Xenakis’s compositional development, James Harley, who studied with Xenakis, presents the works together with clear explanations of the technical and conceptual innovations that shaped them. Harley examines the relationship between the composer and two early influences: Messiaen and Le Corbusier. Particular attention is paid to analyzing works which were vital to the composer’s creative development, from early, unpublished works to the breakthrough pieces Metastasis and Pithoprakta, through the oft-discussed decade of formalization and the evolving styles of the succeeding three decades.

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Xenakis: His Life in Music is a full-length study of the influential contemporary composer Iannis Xenakis. Following the trajectory of Xenakis’s compositional development, James Harley, who studied with Xenakis, presents the works together with clear explanations of the technical and conceptual innovations that shaped them. Harley examines the relationship between the composer and two early influences: Messiaen and Le Corbusier. Particular attention is paid to analyzing works which were vital to the composer’s creative development, from early, unpublished works to the breakthrough pieces Metastasis and Pithoprakta, through the oft-discussed decade of formalization and the evolving styles of the succeeding three decades.

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