Ivanova bojidarka (146 resultados)

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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - Research Paper (postgraduate) from the year 2019 in the subject Chemistry - Analytical Chemistry, University of Dortmund (Institut für 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 'DSD,' the experimental mass spectrometric outcome intensity 'I' and the experimental parameter temperature 'T,' respectively. A closer review of our contributions, so far, to the domain of the 'stochastic dynamic mass spectrometry' 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.…

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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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.…

Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - Academic Paper from the year 2020 in the subject Chemistry - Macromolecular Chemistry, Polymer Chemistry, grade: Excellent, TU Dortmund (Institut für 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. …

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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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.…

Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - Academic Paper from the year 2020 in the subject Chemistry - Analytical Chemistry, grade: Second author Michael Spiteller, University of Dortmund (Institut für 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-Müller 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.…

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Taschenbuch. Condición: Neu. On the capability of the linear dichroic infrared spectroscopy | Bojidarka Ivanova | Taschenbuch | 72 S. | Englisch | 2018 | LAP LAMBERT Academic Publishing | EAN 9786139957897 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu.…

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