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Intra And Intermolecular Interactions Between Non Covalently Bonded Species

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Intra and Intermolecular Interactions between Non covalently Bonded Species

Intra  and Intermolecular Interactions between Non covalently Bonded Species Book
Author : Elliot R. Bernstein
Publisher : Elsevier
Release : 2020-09-10
ISBN : 0128175877
Language : En, Es, Fr & De

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Book Description :

The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.

Principles of Mass Spectrometry Applied to Biomolecules

Principles of Mass Spectrometry Applied to Biomolecules Book
Author : Chava Lifshitz,Julia Laskin
Publisher : John Wiley & Sons
Release : 2006-10-27
ISBN : 0470050411
Language : En, Es, Fr & De

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Book Description :

An extensive compilation of articles by leading professionals, this reference explains the fundamental principles of mass spectrometry as they relate to the life sciences. Topics covered include spectroscopy, energetics and mechanisms of peptide fragmentation, electron capture dissociation, ion-ion and ion-molecule reactions, reaction dynamics, collisional activation, soft-landing, protein structure and interactions, thermochemistry, and more. The book empowers readers to develop new ways of using these techniques.

Engineering Crystallography From Molecule to Crystal to Functional Form

Engineering Crystallography  From Molecule to Crystal to Functional Form Book
Author : Kevin J. Roberts,Robert Docherty,Rui Tamura
Publisher : Springer
Release : 2017-07-18
ISBN : 9402411178
Language : En, Es, Fr & De

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Book Description :

This book highlights the current state-of-the-art regarding the application of applied crystallographic methodologies for understanding, predicting and controlling the transformation from the molecular to crystalline state with the latter exhibiting pre-defined properties. This philosophy is built around the fundamental principles underpinning the three inter-connected themes of Form (what), Formation (how) and Function (why). Topics covered include: molecular and crystal structure, chirality and ferromagnetism, supramolecular assembly, defects and reactivity, morphology and surface energetics. Approaches for preparing crystals and nano-crystals with novel physical, chemical and mechanical properties include: crystallisation, seeding, phase diagrams, polymorphic control, chiral separation, ultrasonic techniques and mechano-chemistry. The vision is realised through examination of a range of advanced analytical characterisation techniques including in-situ studies. The work is underpinned through an unprecedented structural perspective of molecular features, solid-state packing arrangements and surface energetics as well as in-situ studies. This work will be of interest to researchers, industrialists, intellectual property specialists and policy makers interested in the latest developments in the design and supply of advanced high added-value organic solid-form materials and product composites.

Reaction Dynamics Involving Ions Radicals Neutral and Excited Species

Reaction Dynamics Involving Ions  Radicals  Neutral and Excited Species Book
Author : Stefano Falcinelli,Antonio Aguilar,Paolo Tosi,Marzio Rosi
Publisher : Frontiers Media SA
Release : 2020-01-22
ISBN : 2889634302
Language : En, Es, Fr & De

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Book Description :

Download Reaction Dynamics Involving Ions Radicals Neutral and Excited Species book written by Stefano Falcinelli,Antonio Aguilar,Paolo Tosi,Marzio Rosi, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Emulsifiers in Food Technology

Emulsifiers in Food Technology Book
Author : Viggo Norn
Publisher : John Wiley & Sons
Release : 2014-12-15
ISBN : 0470670630
Language : En, Es, Fr & De

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Book Description :

Emulsifiers are essential components of many industrial food recipes. They have the ability to act at the interface between two phases, and so can stabilise the desired mix of oil and water in a mayonnaise, ice cream or salad dressing. They can also stabilise gas/liquid mixtures in foams. More than that, they are increasingly employed in textural and organoleptic modification, in shelf life enhancement, and as complexing or stabilising agents for other components such as starch or protein. Applications include modifying the rheology of chocolate, the strengthening of dough, crumb softening and the retardation of staling in bread. This volume, now in a revised and updated second edition, introduces emulsifiers to those previously unfamiliar with their functions, and provides a state of the art account of their chemistry, manufacture, application and legal status for more experienced food technologists. Each chapter considers one of the main chemical groups of food emulsifiers. Within each group the structures of the emulsifiers are considered, together with their modes of action. This is followed by a discussion of their production / extraction and physical characteristics, together with practical examples of their application. Appendices cross-reference emulsifier types with applications, and give E-numbers, international names, synonyms and references to analytical standards and methods. This is a book for food scientists and technologists, ingredients suppliers and quality assurance personnel.

Kirk Othmer Concise Encyclopedia of Chemical Technology 2 Volume Set

Kirk Othmer Concise Encyclopedia of Chemical Technology  2 Volume Set Book
Author : Kirk-Othmer
Publisher : John Wiley & Sons
Release : 2007-07-16
ISBN : 0470047488
Language : En, Es, Fr & De

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Book Description :

This is an easily-accessible two-volume encyclopedia summarizing all the articles in the main volumes Kirk-Othmer Encyclopedia of Chemical Technology, Fifth Edition organized alphabetically. Written by prominent scholars from industry, academia, and research institutions, the Encyclopedia presents a wide scope of articles on chemical substances, properties, manufacturing, and uses; on industrial processes, unit operations in chemical engineering; and on fundamentals and scientific subjects related to the field.

Novel Tools for the Analysis of Non standard Chemical Bonds

Novel Tools for the Analysis of Non standard Chemical Bonds Book
Author : Oriana Brea Noriega
Publisher : Unknown
Release : 2017
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

The chemical bond is among the oldest and most important concepts in chemistry because it allows to describe chemical properties of a system, as well as to understand and predict chemical reactions. The main goal of this PhD thesis is to study new types of chemical interactions involving the beryllium atom. Be atom has a rich chemistry due to its low-lying pBe orbitals, but its high toxicity has limited the number of experimental studies, enhancing the importance of theory in the description of Be compounds. This thesis reports the theoretical analysis of three new types of Be bonds using high-level ab-initio and Density Functional Theory, and the applications of the Total Position Spread Tensor (TPS) to molecular systems. First, the non-covalent Beryllium Bonds (BerB). This type of bond is formed by an interaction between a Be moiety acting as a strong Lewis Acid (LA) and a Lewis Base (LB). The interaction between beryllium LA and fluorine derivatives (FR) generates a shole in the fluorine atom, otherwise not possible, opening the possibility to design new materials where fluorine binds through halogen bonds. This same interaction decreases the F-R bond energy, turning the F-R homolytic dissociation in an exothermic process, and suggesting BerBs can be used to produce spontaneously radical species. Moreover, in this thesis, Intramolecular Beryllium Bonds (IBerB) were studied in malonaldehyde- and tropolone-like systems. This interaction is stronger in unsaturated systems than in their saturated analogues due to the increase of the acidity and basicity of the LA and LB, respectively. Second, the intramolecular Be-Be bond in disubstituted naphthalene complexes. The anion species of 1,8-diBeY1-naphthalene derivatives show a very strong one-electron Be-Be bond. This bond is eight times stronger and 0.5 Å shorter than the one in the isolated dimer. These systems present high electron affinities, which give to them an exceptional property: the ability to behave as what we have named anion sponges. It was found that the interaction between anions and Be disubstituted naphthalene is among the highest anion affinities reported in the literature for neutral compounds. This property could lead to a wide range of applications as anions receptors and sensors. Third, the interaction between the Be2 molecule and Lewis bases, which has shown to en-hance the strength of the Be-Be bond compared with the isolated molecule. The non-covalent interaction in complexes of the type L : Be-Be : L decreases the distance and increases the strength of the Be-Be bond. The effect over the Be2 moiety depends on the nature of the Lewis bases. The most dramatic effect occurs when L are radical species. The Be-Be bond in this type of complexes is among the strongest reported in the literature due to an increase of the Be2 oxidation state from Be0 to Be2+. The same effect is found in ligands with pL orbitals, which conjugate with the pBe orbitals and increase the oxidation state of the Be2 moiety to +1. Therefore, the Be-Be interaction becomes stronger than the free Be2 molecule, although still weaker than that of complexes with radical species. At last, the complexes where the Be2 moiety remains neutral and interacts with the lone pairs of the LB show, to the best of our knowledge, the strongest Be-Be bond reported in the literature for the neutral Be dimer. Finally, the TPS is proposed as a new method for the description of chemical bonds. The TPS is quantity that describes the electron and spin fluctuation when a system is perturbed. In this PhD thesis the TPS is applied to diatomic molecules and to Be-carbonyl derivatives. The tensor shows a different behavior depending on the type of interaction, thus allowing the distinction between a covalent, ionic, charge-shift, and other types of bonds, and at the same time the tensor identifies the electron correlation nature of the system.

Calixarenes and Beyond

Calixarenes and Beyond Book
Author : Placido Neri,Jonathan L. Sessler,Mei-Xiang Wang
Publisher : Springer
Release : 2016-08-12
ISBN : 3319318675
Language : En, Es, Fr & De

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Book Description :

Contributions featuring the chemistry and applications of a family of macrocyclic compounds collectively known as 'calixarenes' are presented in this edited volume. The arsenal of structures based on calixarenes provides tools which are effective in numerous areas of supramolecular chemistry. The Editors have compiled a timely volume which contains up to date, high calibre contributions from a large number of international authors. A broad perspective on the progress and future of calixarene chemistry is presented. Aimed at students and researchers active in Supramolecular Chemistry.

Highlights in Bioorganic Chemistry

Highlights in Bioorganic Chemistry Book
Author : Carsten Schmuck,Helma Wennemers
Publisher : John Wiley & Sons
Release : 2006-01-24
ISBN : 3527604081
Language : En, Es, Fr & De

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Book Description :

This is a fascinating introduction to the topic. Spanning the spectrum of nucleic acid chemistry, carbohydrates, peptides, molecular recognition, biosynthesis and natural biosynthesis, right up to medical and biophysical chemistry, the book provides advanced students and those already working in the field with a balanced overview. In more than 30 contributions, a new generation of recognized scientists gives an account of the latest research in such areas as * Artificial receptors for the stabilization of ß-sheet structures * Carbohydrate recognition by artificial receptors * Combinatorial chemistry as a tool for the discovery of catalysts * The interaction of NO and peroxynitrite with hemoglobin and myoglobin * Inhibitors against human mast-cell-tryptase as a potential approach to conquering asthma * The selectivity of DNA replication. A readily accessible survey for everyone wishing to stay abreast of developments. With a Foreword by Ronald Breslow.

Polymer Dynamics and Relaxation

Polymer Dynamics and Relaxation Book
Author : Richard Boyd,Grant Smith
Publisher : Cambridge University Press
Release : 2007-09-13
ISBN : 1107320259
Language : En, Es, Fr & De

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Book Description :

Polymers exhibit a range of physical characteristics, from rubber-like elasticity to the glassy state. These particular properties are controlled at the molecular level by the mobility of the structural constituents. Remarkable changes in mobility can be witnessed with temperature, over narrow, well defined regions, termed relaxation processes. This is an important, unique phenomenon controlling polymer transition behaviour and is described here at an introductory level. The important types of relaxation processes from amorphous to crystalline polymers and polymeric miscible blends are covered, in conjunction with the broad spectrum of experimental methods used to study them. In-depth discussion of molecular level interpretation, including atomistic level computer simulations and applications to molecular mechanism elucidation, are discussed. The result is a self-contained approach to polymeric interpretation suitable for researchers in materials science, physics and chemistry interested in the relaxation processes of polymeric systems.

Introductory Organic Chemistry and Hydrocarbons

Introductory Organic Chemistry and Hydrocarbons Book
Author : Caio Lima Firme
Publisher : CRC Press
Release : 2019-08-28
ISBN : 1351205773
Language : En, Es, Fr & De

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Book Description :

A novel proposal for teaching organic chemistry based on a broader and simplified use of quantum chemistry theories and notions of some statistical thermodynamic concepts aiming to enrich the learning process of the organic molecular properties and organic reactions. A detailed physical chemistry approach to teach organic chemistry for undergraduate students is the main aim of this book. A secondary objective is to familiarize undergraduate students with computational chemistry since most of illustrations of optimized geometries (plus some topological graphs) and information is from quantum chemistry outputs which will also enable students to obtain a deeper understanding of organic chemistry.

Nanoscience in Dermatology

Nanoscience in Dermatology Book
Author : Michael R. Hamblin,Pinar Avci,Tarl Prow
Publisher : Academic Press
Release : 2016-08-13
ISBN : 0128029455
Language : En, Es, Fr & De

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Book Description :

Nanoscience in Dermatology covers one of the two fastest growing areas within dermatological science, nanoscience and nanotechnology in dermatology. Recently, great progress has been made in the research and development of nanotechnologies and nanomaterials related to various applications in medicine and, in general, the life sciences. There is increasing enthusiasm for nanotechnology applications in dermatology (drug delivery, diagnostics, therapeutics, imaging, sensors, etc.) for understanding skin biology, improving early detection and treatment of skin diseases, and in the design and optimization of cosmetics. Light sensitive nanoparticles have recently been explored, opening a new era for the combined applications of light with nanotechnology, also called photonanodermatology. However, concerns have been raised regarding the adverse effects of intentional and unintentional nanoparticle exposure and their toxicity. Written by experts working in these exciting fields, this book extensively covers nanotechnology applications, together with the fundamentals and toxicity aspects. It not only addresses current applications of nanotechnology, but also discusses future trends of these ever-growing and rapidly changing fields, providing scientists and dermatologists with a clear understanding of the advantages and challenges of nanotechnology in skin medicine. Provides knowledge of current and future applications of nanoscience and nanotechnology in dermatology Outlines the fundamentals, methods, toxicity aspects, and other relevant aspects for nanotechnology based applications in dermatology Coherently structured book written by experts working in the fields covered

Structural Biological Materials

Structural Biological Materials Book
Author : M. Elices
Publisher : Elsevier
Release : 2000-05-08
ISBN : 9780080541907
Language : En, Es, Fr & De

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Book Description :

The ongoing process of bio-evolution has produced materials which are perfectly adapted to fulfil a specific functional role. The natural world provides us with a multitude of examples of materials with durability, strength, mechanisms of programmed self-assembly and biodegradability. The materials industry has sought to observe and appreciate the relationship between structure, properties and function of these biological materials. A multidisciplinary approach, building on recent advances at the forefront of physics, chemistry and molecular biology, has been successful in producing many synthetic structures with interesting and useful properties. Structural Biological Materials: Design and Structure-Property Relationships represents an invaluable reference in the field of biological materials science and provides an incisive view into this rapidly developing and increasingly important topic within materials science. This book focuses on the study of three sub-groups of structural biological materials: • Hard tissue engineering, focussing on cortical bone • Soft tissue engineering • Fibrous materials, particularly engineering with silk fibers. The fundamental relationship between structure and properties, and certain aspects of design and engineering, are explored in each of the sub-groups. The importance of these materials, both in their intrinsic properties and specific functions, are illustrated with relevant examples. These depict the successful integration of material properties, architecture and shape, providing a wide range of optimised designs, tailored to specific functions. Edited by Manuel Elices of the Universidad Politécnica de Madrid, Spain, this book is Volume 4 in the Pergamon Material Series.

Topological Modelling of Nanostructures and Extended Systems

Topological Modelling of Nanostructures and Extended Systems Book
Author : Ali Reza Ashrafi,Franco Cataldo,Ali Iranmanesh,Ottorino Ori
Publisher : Springer Science & Business Media
Release : 2013-05-19
ISBN : 9400764138
Language : En, Es, Fr & De

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Book Description :

Topological Modelling of Nanostructures and Extended Systems completes and expands upon the previously published title within this series: The Mathematics and Topology of Fullerenes (Vol. 4, 2011) by gathering the latest research and advances in materials science at nanoscale. It introduces a new speculative area and novel concepts like topochemical reactions and colored reactive topological indices and provides a better understanding of the physical-chemical behaviors of extended systems. Moreover, a charming new family of space-filling fullerenic crystals is here analyzed for the first time. Particular attention is given to the fundamental influences exercised by long-range connectivity topological mechanisms on the chemical and physical properties of carbon nanostructures. Systems consisting in graphenic layers with structural and topological defects are investigated in their electronic and magnetic behaviors also in presence of metallic particles. More specifically, the book focuses on: - Electronic Properties of low dimensional nanostructures including negatively-curved carbon surfaces; Pariser-Parr-Pople model hamiltonian approach to graphene studies; - Topochemistry and Toporeactcivity of extended sp2-nanocarbons: PAH, fullerenes, nanoribbons, Moebius-like nanoribbons, nanotubes and grapheme; - Novel class of crystal networks arising from spanning fullerenes; - Nanostructures and eigenvectors of matrices and an extended treatise of topological invariants; - Enumeration hetero-fullerenes by Polya theory. Topological Modelling of Nanostructures and Extended Systems represents a valuable resource to advances graduates and researchers working in mathematics, chemistry, physics and material science.

Design Synthesis and Characterization of new Supramolecular Architectures

Design  Synthesis and Characterization of new Supramolecular Architectures Book
Author : Massimo Baroncini
Publisher : Springer Science & Business Media
Release : 2011-04-15
ISBN : 9783642192852
Language : En, Es, Fr & De

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Book Description :

This thesis focuses on the bottom-up design, construction and operation of supramolecular systems capable of behaving as devices and machines on the molecular scale, which is a topic of great interest in nanoscience and a fascinating challenge in nanotechnology. In particular, the systems investigated here include: polyviologen dendrimers capable of behaving as hosts and chargestoring devices; molecular machines based on pseudorotaxanes/rotaxanes and operated by photoinduced proton transfer, or photoisomerization reactions; and a simple unimolecular multiplexer/demultiplexer. The systems have been characterized using a variety of techniques including absorption and emission spectra, laser flash photolysis, NMR spectroscopy, electrochemical experiments, stopped flow measurements. This research addresses a large number of open problems in the nanosciences, dealing with a wide range of the most advanced applications of supramolecular systems.

Gulliver in the Country of Lilliput

Gulliver in the Country of Lilliput Book
Author : Ilya G. Shenderovich
Publisher : MDPI
Release : 2021-03-30
ISBN : 3036504303
Language : En, Es, Fr & De

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Book Description :

Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified—their energetic and spatial properties have been tabulated. In the past, most studies were limited to analyzing the single strongest interaction in the molecular system under consideration, which is responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, this requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation. This Special Issue collects ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti-cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics, and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure.

Non covalent Interactions in the Synthesis and Design of New Compounds

Non covalent Interactions in the Synthesis and Design of New Compounds Book
Author : Abel M. Maharramov,Kamran T. Mahmudov,Maximilian N. Kopylovich,Armando J. L. Pombeiro
Publisher : John Wiley & Sons
Release : 2016-05-03
ISBN : 1119113857
Language : En, Es, Fr & De

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Book Description :

This book aims to overview the role of non-covalent interactions, such as hydrogen and halogen bonding, π-π, π-anion and electrostatic interactions, hydrophobic effects and van der Waals forces in the synthesis of organic and inorganic compounds, as well as in design of new crystals and function materials. The proposed book should allow to combine, in a systematic way, recent advances on the application of non-covalent interactions in synthesis and design of new compounds and functional materials with significance in Inorganic, Organic, Coordination, Organometallic, Pharmaceutical, Biological and Material Chemistries. Therefore, it should present a multi- and interdisciplinary character assuring a rather broad scope. We believe it will be of interest to a wide range of academic and research staff concerning the synthesis of new compounds, catalysis and materials. Each chapter will be written by authors who are well known experts in their respective fields.

Organic Chemistry

Organic Chemistry Book
Author : Tom Sorrell
Publisher : University Science Books
Release : 2006-01-26
ISBN : 9781891389382
Language : En, Es, Fr & De

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Book Description :

The second edition of Organic Chemistry maintains all the innovative features of the first edition in a sleeker, slimmer, and easier-to-navigate design. This book's mechanistic approach constructs organic chemistry from the ground up, focusing on the points of relativities, whilst still covering organic compound classes in the traditional order. Hundreds of worked examples and student exercises combine with clear writing and a sound pedagogy to make this text an exceptional choice.