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17 produkter
17 produkter
E-bok
Engelska, 20241 328 kr
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A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds.
The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscopy and then moves on to examine the background of the orientation method of colloid suspensions in a nematic host. It explores the orientation procedure itself, experimental design, and mathematical tools for the interpretation of the IR spectroscopic patterns. Next, the authors describe the structural elucidation of inorganic and organic compounds and glasses. Finally, they discuss applications in pharmaceutical analysis and the chemistry of dyes. Filled with more than 140 illustrations along with a color insert, the book explains both the scope of the polarized IR spectroscopy method as well as its limitations.
A powerful source of information not only for specialists in IR spectroscopy, but also for those working in the field of structural analysis, this volume moves the field closer to developing an inherently classical method for the structural characterization of compounds.
E-bok
PDF, Engelska, 20241 328 kr
Läs direkt efter köp
A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds.
The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscopy and then moves on to examine the background of the orientation method of colloid suspensions in a nematic host. It explores the orientation procedure itself, experimental design, and mathematical tools for the interpretation of the IR spectroscopic patterns. Next, the authors describe the structural elucidation of inorganic and organic compounds and glasses. Finally, they discuss applications in pharmaceutical analysis and the chemistry of dyes. Filled with more than 140 illustrations along with a color insert, the book explains both the scope of the polarized IR spectroscopy method as well as its limitations.
A powerful source of information not only for specialists in IR spectroscopy, but also for those working in the field of structural analysis, this volume moves the field closer to developing an inherently classical method for the structural characterization of compounds.
Häftad, Engelska, 2019
1 116 kr
Skickas inom 10-15 vardagar
A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds.The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscopy and then moves on to examine the background of the orientation method of colloid suspensions in a nematic host. It explores the orientation procedure itself, experimental design, and mathematical tools for the interpretation of the IR spectroscopic patterns. Next, the authors describe the structural elucidation of inorganic and organic compounds and glasses. Finally, they discuss applications in pharmaceutical analysis and the chemistry of dyes. Filled with more than 140 illustrations along with a color insert, the book explains both the scope of the polarized IR spectroscopy method as well as its limitations.A powerful source of information not only for specialists in IR spectroscopy, but also for those working in the field of structural analysis, this volume moves the field closer to developing an inherently classical method for the structural characterization of compounds.
Inbunden, Engelska, 2011
3 096 kr
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A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds.The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscopy and then moves on to examine the background of the orientation method of colloid suspensions in a nematic host. It explores the orientation procedure itself, experimental design, and mathematical tools for the interpretation of the IR spectroscopic patterns. Next, the authors describe the structural elucidation of inorganic and organic compounds and glasses. Finally, they discuss applications in pharmaceutical analysis and the chemistry of dyes. Filled with more than 140 illustrations along with a color insert, the book explains both the scope of the polarized IR spectroscopy method as well as its limitations.A powerful source of information not only for specialists in IR spectroscopy, but also for those working in the field of structural analysis, this volume moves the field closer to developing an inherently classical method for the structural characterization of compounds.
E-bok
PDF, Engelska, 20181 741 kr
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It is widely accepted that the quadruplex, representing a supramolecular self-aggregate of guanine (G) containing recurrent units of four noncovalent interacting nucleobases (NBs) and one monovalent cation in DNA and RNA, has been associated with genome instability, transcription and replication of living cells. This line of inquiry has also evidenced experimentally associates such as quartets of uracil (U), adenine (A) and thymine as well as a tetramer, consisting of guanine:cytosine (G:C:G:C) NBs, respectively. In (C)-rich DNA sequences, a tetraplex of stacked hemi-protonated (C):(C) pairs ('i-motif') has been involved in regulatory gene expression. The supramolecular self-aggregates are promising drug targets implicated in cancer and other diseases. However, the authors argue in this chapter that there is still much research required in order to understand fundamental molecular forces and factors, determining the binding affinity and thermodynamic stability of non-covalent interacting NBs both in vitro and in vivo. Arguably, no less than an elucidation will allow us to shed light on molecular level mechanisms governing the supramolecular self-aggregation. To examine these issues, the authors perform mass spectrometric (MS) quantification of molecular noncovalent interactions of NBs and nucleosides (NSs) uridine (1), cytidine (2), guanosine (3) and N,N-dimethyl guanosine (4), respectively. They survey several methods concerning the study such as ultra-high resolution electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and matrix assisted laser desorption-ionization (MALDI) methods in a single operation mode, coupled with collision induced dissociation (CID) mass spectrometry. The theoretical treatment includes high accuracy static and molecular dynamic (MD) quantum chemistry. Ab initio methods and density functional theory (DFT) are used. Stochastic dynamics based on the Box-Muller (BM) method is adopted determining experimental diffusion parameters of MS ions of non-covalent interacting species. They are correlated with experimental diffusion data using the "e;current monitoring method"e; and theoretical parameters obtained from Arrhenius's formalism. There are two foci for this study. The first issue is which equation models connect experimental kinetic, thermodynamic and diffusion parameters with theoretical quantum chemical data about 3D structures of analytes? The second issue deals with the statistical claim that the presented models use their own experimental and theoretical MS results. Chemometrics, in order to be confident that there is a real functional relationship of experiment and theory, is used. In this context, the great importance of this complex analysis for the development of the "e;structural analytical chemistry"e; is undeniable.
E-bok
PDF, Engelska, 2020512 kr
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Academic Paper from the year 2020 in the subject Chemistry - Analytical Chemistry, grade: Second author Michael Spiteller, University of Dortmund (Institut fur Umweltforschung), language: English, abstract: The idea for this contribution has its root in exact formulas connecting between measurable variable intensity of mass spectrometric peak of analyte ion and its stochastic dynamic diffusion parameter introduced, more recently in our works devoted to quantitative mass spectrometry. Herein, we present innovative functional relations connecting among not only DSD- and I-parameters, but also the experimental factor temperature and the concentration of analyte in solution. The temperature is one of the most important parameter determining the ionization efficiency of analytes under soft-ionization mass spectrometric conditions. The focus of the work is not only on outlining quantitative conjunctions among experimental factors, respectively, parameters; measurable outcomes; and molecular properties, but also to help readers achieve in-depth understanding of governing factors determining the ionization efficiency of analyte ions with respect to temperature at a molecular level. Another important aspect for studying is that, all theoretical proposals introduced, so far, are based on stochastic dynamics. The latter field, however, is very broad. It encompasses a large set of mathematical methods applicable to explain diverse phenomena not only in the Chemistry, but also in the Physics, Astronomy, Economy, and many more research areas. The methodology used to our principle theory behind the derivation of model functional relations; our innovative empirical modification of known relationship; and corresponding definition of the DSD parameter as a function of the measurable variable intensity are based on Box-Muller method, Einstein s concept of diffusion within his molecular kinetic theory of heat; the forward Fokker-Planck equation (or the forward Kolmogorov equation,) where we empirically modify the characteristic function diffusion and its (their) application to Ornstein-Uhlenbeck process; approximations to a Wiener process; Gillespie s interpretation of Ornstein-Uhlenbeck process and its exact numerical solution, respectively. Due to, complexity of many of the soft-ionization mass spectrometric phenomena and the interconnection of different concepts behind our stochastic dynamic theory of exact quantification of the variable intensity, we hope that the readers will be able to gain the background to the different mass spectrometric phenomena and theories to more advanced primary literature sources, which can be found in the corresponding reference sections.
E-bok
PDF, Engelska, 2020384 kr
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Academic Paper from the year 2020 in the subject Chemistry - Macromolecular Chemistry, Polymer Chemistry, grade: Excellent, TU Dortmund (Institut fur Umweltforschung), course: Forschungsstipendium, language: English, abstract: A work on nonsubstituted cyclodextrins does illustrate persuasively the applicability of our innovative stochastic dynamic formulas connecting among measurable outcome intensity, analyte concentration in solution, the temperature and molecular properties to quantify and determine 3D structurally analytes. They bridge the gap between theory and experiment, in developing highly selective, sensitive, accurate and precise methods for quantification and exact 3D structural analytes by mass spectrometry.
E-bok
PDF, Engelska, 2021384 kr
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Academic Paper from the year 2021 in the subject Chemistry - Analytical Chemistry, University of Dortmund (Institute of Environmental Research), language: English, abstract: In this work we discuss certain consideration for quantum chemical and chemometric assessing in the crystallographic polymorphism. It is aimed primarily at researchers in 'Analytical chemistry' and is designed to help readers' understanding of the implications of the different quantum chemical theories in the chemical crystallography. The term polymorphism reflects molecular ability to crystalize in more than one structure. Since, properties of polymorphs can vary, their quantification becomes an important task to manufacturing pharmaceutics. It affects packing properties via molar volume and crystal density; optical properties and refractive index; electrical and thermal properties; conductivity; hydroscopicity; other differences associated with thermodynamics; kinetics; surface and mechanical properties, and more. In order to make a complex prediction of correlation among molecular structure electronic structure energetics using crystallographic and quantum chemical data it should be taken into consideration various polymorph modifications.
E-bok
PDF, Engelska, 2023512 kr
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Research Paper (postgraduate) from the year 2023 in the subject Chemistry - Analytical Chemistry, TU Dortmund (Institute of Environmental Research), language: English, abstract: The contribution brings together our most recent papers, dealing with stochastic dynamics mass spectrometry, the first of which is written specially for this book. It can be regarded as introductory review-chapter, which represents, in fact, an overview of contributions devoted to methodological development of quantitative and structural stochastic dynamics mass spectrometric approaches to soft-ionization methods. The books are primarily intended for widespread use of graduated students, who after the first introductory Chapter 1 to the field of stochastic dynamics soft-ionization quantitative and 3D structural mass spectrometry may wish to deepen their knowledge of primary application of model formulas to hard-ionization approaches. Of course, we hope that it shall be useful not only to undergraduate student, but also to both junior and senior academics and researchers in the analytical mass spectrometry. Owing to the fact, that analytical mass spectrometry is robust method for quantitative and structural analysis, amongst others, not only for fundamental science and a lot of specific scientific disciplines, but also to the industry, the book is designed to serve major and specific goals of both science and various branches of the industry.
E-bok
PDF, Engelska, 2015489 kr
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Research Paper (postgraduate) from the year 2011 in the subject Chemistry - Anorganic Chemistry, TU Dortmund (Fakultat fur Chemie und Chemische Biologie, Institut fur Umweltforschung, Lehrstuhl fur analytische chemie), language: English, abstract: Despite a tremendous number of books, monographs, textbooks and review-articles devoted to "e;organometallic chemistry"e;, the largest part of those contributions have been designed into following structure of the content: (i) Manuals, handbooks and encyclopedias summarizing important organometallic reagents in the organic synthesis; (ii) Books, containing synthetic protocols for obtaining of organometallic reagents; and (iii) Manuals on basic organic reactions catalysed by organometallics. However, there are scarce efforts devoted to studies of reaction mechanisms, physical and chemical properties and structure of organometallics. Furthermore the largest part of available literature has been organized to serve educational needs of undergraduate and graduate students at different areas of chemist including inorganic, organic and/or physical chemistry, so that it has textbook (or a mixing) style, rather than to represent monographs on advances in organometallic research. In this context, our book firstly in the literature has treated experimental and theoretical contributions in understanding reaction mechanisms, involving organosilver reagents as well as molecular structure and physical properties, focusing attention on chemical aspects of nature of C M bond and role of coordination environment of inner coordination sphere of metal ion to effectiveness of mediated organic reactions from a coordination chemistry point of view, rather than to review available chemical reactions. Thus highlighting the main goal of this book to serve as a useful source of information about those molecular factors and properties governing the usefulness of those chemical classes to organic synthesis, which is important for further molecular design of new intermediates having enhanced synthetic efficiency, high enantioselectivity at mild experimental conditions.
Häftad, Engelska, 2015
804 kr
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E-bok
PDF, Engelska, 2015530 kr
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Research Paper (postgraduate) from the year 2015 in the subject Chemistry - Other, grade: Subventionierte Projekt, University of Dortmund (Institut fur Umweltforschung , Lehrstuhl fur Analytische Chemie), language: English, abstract: This book deals with chemistry and chemical-physical effects of Zn(II)-containing metal-organics with emergence as an interdisciplinary area of coordination chemistry, blending of optical and nonlinear optical materials research; optical fiber communication and optical computing technologies; data storage techniques; image processing; dynamic holography; printers; producing of harmonic generators; optical switching and limiting devices; fluorescence materials and more. In this context, the book collects new trends, and presents for first time more recent work in the field of applied oriented design of molecular scaffolds, synthesis, optical and nonlinear optical studies of coordination compounds of Zn(II)-ion. The book is divided into four chapters. The first Chapter 1 is designed to give readers a general overview on relevance of metal-organic materials containing metal ions with completed electronic d10 configurations to mentioned above areas of applied sciences. We have chosen to introduce relationship between molecular structure and properties of zinc tris(thiourea) sulphate and its derivatives in a short Chapter 2, because of those compounds are seriously tested for an industrial scale application as NLO-phores. Chapter 3 is devoted, principally, to a correlation between molecular structure, crystal structure and chemical physical effects of Zn(II)-containing metal-organic materials, mainly part of our research work. Chapter 4 concentrates on theoretical methodological formalism of most applicable quantum chemical methods, treating optical and non-linear optical phenomena, which are base on same thematic overall organization of this part of the book. The importance of this chapter is that it refers to basic computational chemistry methodology, associated with prediction of chemical-physical effects of metal-organics in gas- and condense phase, as a crucial step defining applied oriented chemical synthesis of new coordination compounds, thus producing results relevant to their real application as materials to optical and nonlinear optical technologies. Chapter 4 can serves as methodological reference point. But the content of the book, generally, can be useful to scientific research of MSc and PhD students in "e;Chemistry"e;, which work involves fields such as coordination chemistry, applied materials research, crystal engineering, and the fourth.
Häftad, Engelska, 2015
921 kr
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E-bok
PDF, Engelska, 2018467 kr
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Research Paper (postgraduate) from the year 2018 in the subject Chemistry - Analytical Chemistry, grade: Mass spectrometry, University of Dortmund (Institut fur Umweltforschung, Lehrstuhl fur Analytische Chemie), language: English, abstract: The goal of this work is to describe more recent developments in the quantitative mass spectrometry and to illustrate how our new model equations based on the stochastic dynamics relate to the determining the 3D molecular and electronic structures of analytes. It is aimed at researchers in Chemistry who would like to find out about what is going on in mass spectrometric methodological contributions more recently. The work could also be used to MSc and PhD students in the field of Chemistry, in particular, highlighting the 'Analytical chemistry', 'Physico-chemistry' and/or 'Computational and theoretical chemistry', respectively.
E-bok
PDF, Engelska, 2019505 kr
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Research Paper (postgraduate) from the year 2019 in the subject Chemistry - Analytical Chemistry, University of Dortmund (Institute of Environmental Research, Department of Analytical Chemistry), language: English, abstract: Throughout the chapters in this book we argue that the temporal behaviour of the experimental mass spectrometric intensity of analyte ions obeys a certain and universal law based on a stochastic dynamic approach. The content of the book evidences convincingly through a selected series of examples to molecular systems of metal-organic complexes of transition metal ions with electronic configuration d10, for instance, AgI- and ZnII-ions, the validity of our model equation reported, more recently. It needs to be underlined that, the comprehensive study that is provided, herein, is published, for first time in the literature. The book, therefore, represents monograph containing results from our research work, detailing correlatively experimental and theoretical mass spectrometric analyses of metal organics using ultrahigh accuracy electrospray ionization and collision induced dissociation mass spectrometry. An enormous amount of effort is concentrated on a quantitative description of the relationships between experimental measurable parameter intensity and diffusion or kinetic parameters of analyte ions.
E-bok
PDF, Engelska, 2019202 kr
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Research Paper (postgraduate) from the year 2019 in the subject Chemistry - Analytical Chemistry, University of Dortmund (Institut fur Umweltforschung), language: English, abstract: The major aim of this work is to introduce our new model equation connecting among the so-called stochastic dynamic diffusion coefficient "e;DSD,"e; the experimental mass spectrometric outcome intensity "e;I"e; and the experimental parameter temperature "e;T,"e; respectively. A closer review of our contributions, so far, to the domain of the "e;stochastic dynamic mass spectrometry"e; has shown that we have developed a functional relationship between the DSD parameter and the mass spectrometric intensity. It is . Its universal applicability to a set of soft-ionization mass spectrometric methods has been evidenced within a small-scale research on correlation between theory and experiment, which has been tested by chemometrics. As a corollary, there has been concluded that the temporal behaviour of the experimental mass spectrometric intensity obeys a certain law and this law is the equation shown above. The fundamental differences in the functional relationship written before and our new innovative model lies in that we account for the effect of the temperature on the DSD parameter and the experimental mass spectrometric measurable variable. The roots of the latter model are again to stochastic plausibility theories, focusing the attention on the Gillespie's exact numerical solution of the Ornstein-Uhlenbeck process according to the forward Fokker-Planck equation (or the forward Kolmogorov equation) and the theory of continuous Markov processes. We shall not only introduce, a new functional relation, but also we shall provide persuasive empirical proofs of that the new formula is true. The contribution explores our own experimental mass spectrometric data. The discussion, herein, provides sufficient justification, that the content of the work would be of interest in MSc students specializing in Advanced methods for the Analytical Chemistry or Environmental Chemistry; students specializing in Theoretical and computational chemistry; and PhD students or researchers developing the mass spectrometric methodology.
Häftad, Italienska, 2020
457 kr
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