Quantitative In Silico Chromatography
Quantitative In Silico Chromatography

Author: Toshihiko Hanai

Publisher: Royal Society of Chemistry

Published: 2014-05-07

Total Pages: 353

ISBN-13: 1782620168

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The coupling of mass spectrometry or nuclear magnetic resonance to chromatography has broadened the possibilities for determining organic reaction mechanisms. And while many results have been published reporting these, even more can be achieved through modern computational methods. Combining computational and theoretical techniques with advanced chromatographic methods offers a powerful tool for quantitatively determining molecular interactions . This book presents the possibilities for characterising biological applications by combining analytical and computational chemistries. Written by the author of “HPLC: A Practical Guide” (RSC, 1999), the book examines not only the behaviour of biological reactions per se, but also describes the behaviour of biological molecules in chromatography systems. Various software packages are reviewed, and most computations can be performed on a standard PC using accessible software. Consideration is given to a variety of chromatographic techniques and strategies for high-sensitivity detection are presented. The first book of its kind, it will inspire readers to explore the possibilities of combining these techniques in their own work, whether at an industrial or academic level.

Quantitative In Silico Chromatography
Quantitative In Silico Chromatography

Author: Toshihiko Hanai

Publisher: Royal Society of Chemistry

Published: 2014-06-15

Total Pages: 352

ISBN-13: 1849739919

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Written by the author of "HPLC: A Practical Guide" (RSC, 1999), this book presents the possibilities for characterising biological applications by combining analytical and computational chemistries.

Mechanochromic Fluorescent Materials
Mechanochromic Fluorescent Materials

Author: Jiarui Xu

Publisher: Royal Society of Chemistry

Published: 2014-05-30

Total Pages: 352

ISBN-13: 1849738211

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Introduction to the concept of mechanofluorochromism and the variety of applications of this group of materials.

Advances in Chromatography, Volume 49
Advances in Chromatography, Volume 49

Author: Eli Grushka

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 433

ISBN-13: 143984092X

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Advances in Chromatography is a venerable series that has reported on the latest state-of-the-art developments in the field for the past four decades. The newest installment, Volume 49, continues the tradition of compiling the work of expert contributors who present timely and cutting edge reviews of current and emerging methods and applications in

Validation of Chromatography Data Systems
Validation of Chromatography Data Systems

Author: Robert McDowall

Publisher: Royal Society of Chemistry

Published: 2016-11-23

Total Pages: 778

ISBN-13: 1782624074

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Guiding chromatographers working in regulated industries and helping them to validate their chromatography data systems to meet data integrity, business and regulatory needs. This book is a detailed look at the life cycle and documented evidence required to ensure a system is fit for purpose throughout the lifecycle. Initially providing the regulatory, data integrity and system life cycle requirements for computerised system validation, the book then develops into a guide on planning, specifying, managing risk, configuring and testing a chromatography data system before release. This is followed by operational aspects such as training, integration and IT support and finally retirement. All areas are discussed in detail with case studies and practical examples provided as appropriate. The book has been carefully written and is right up to date including recently released FDA data integrity guidance. It provides detailed guidance on good practice and expands on the first edition making it an invaluable addition to a chromatographer’s book shelf.

In Silico Chemistry and Biology
In Silico Chemistry and Biology

Author: Girish Kumar Gupta

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2022-05-09

Total Pages: 274

ISBN-13: 3110492458

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In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.

Quantitative Structure
Quantitative Structure

Author: Roman Kaliszan

Publisher: Wiley-Interscience

Published: 1987-10-14

Total Pages: 328

ISBN-13:

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The use of computers in numerical characterization of molecular structures has given chemists fundamentally new information on chemical structures, leading to major developments in physical, analytical, and medicinal chemistry. This book, written by a pioneer in the field, extends and updates research on quantitative structure retention relationships (QSRR) by consolidating and critically reviewing the extensive literature on the subject while providing basic theoretical and practical information required in all investigations involving chromatography, analytical chemistry, biochemistry, and pharmaceutical research. Coverage includes detailed discussions of the general theories and mechanisms of chromatographic separations, prediction of retention coefficients, statistical techniques and formal requirements of QSRR studies, specific applications of chromatographic data, and much more. Also provides several carefully selected figures and tables plus extensive bibliographies.

Advances in Chromatography
Advances in Chromatography

Author: Eli Grushka

Publisher: CRC Press

Published: 2014-03-18

Total Pages: 274

ISBN-13: 1482223503

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Presenting the latest developments in the field for more than four decades, the Advances in Chromatography series is relied on by scientists and researchers for the most up-to-date information on a wide range of chromatographic methods and applications. Volume 52 continues this tradition with contributions by established, well-known chemists, offering cutting-edge reviews of chromatographic methods with applications in the life sciences. Featured topics include The history, development, and theory behind aerosol-based detectors Protein and peptide biomarkers that are chromatographic endpoints measured in biological fluids and tissues, such as serum, urine, and tissue biopsies Multisegment linear gradient optimization strategy in reversed-phase and hydrophilic interaction chromatographic systems Enantioselective gas chromatography performed using three distinct chiral stationary phases based on hydrogen bonding, metal ion complexation, and inclusion Analysis of the dynamic phenomena of liquid chromatographic systems with six typical reactions in the mobile phase Providing a clear presentation of topics and vivid illustrations for which this series has become known, the latest volume makes the material accessible and engaging to analytical, biochemical, organic, polymer, and pharmaceutical chemists at all levels of technical skill.

Qualitative and Quantitative Analysis of Bioactive Natural Products 2018
Qualitative and Quantitative Analysis of Bioactive Natural Products 2018

Author: Maria Carla Marcotullio

Publisher: MDPI

Published: 2019-04-04

Total Pages: 374

ISBN-13: 3038977888

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Throughout most of history, medicinal plants and their active metabolites have represented a valuable source of compounds used to prevent and to cure several diseases. Interest in natural compounds is still high as they represent a source of novel biologically/pharmacologically active compounds. Due to their high structural diversity and complexity, they are interesting structural scaffolds that can offer promising candidates for the study of new drugs, functional foods, and food additives. Plant extracts are a highly complex mixture of compounds and qualitative and quantitative analyses are necessary to ensure their quality. Furthermore, greener methods of extraction and analysis are needed today. This book is based on articles submitted for publication in the Special Issue entitled “Qualitative and Quantitative Analysis of Bioactive Natural Products” that collected original research and reviews on these topics.

Optimization in HPLC
Optimization in HPLC

Author: Stavros Kromidas

Publisher: John Wiley & Sons

Published: 2021-08-06

Total Pages: 416

ISBN-13: 3527828516

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Learn to maximize the performance of your HPLC or UHPLC system with this resource from leading experts in the field Optimization in HPLC: Concepts and Strategies delivers tried-and-tested strategies for optimizing the performance of HPLC and UHPLC systems for a wide variety of analytical tasks. The book explains how to optimize the different HPLC operation modes for a range of analyses, including small molecules, chiral substances, and biomolecules. It also shows readers when and how computational tools may be used to optimize performance. The practice-oriented text describes common challenges faced by users and developers of HPLC and UHPLC systems, as well as how those challenges can be overcome. Written for first-time and experienced users of HPLC technology and keeping pace with recent developments in HPLC instrumentation and operation modes, this comprehensive guide leaves few questions unanswered. Readers will also benefit from the inclusion of: A thorough introduction to optimization strategies for different modes and uses of HPLC, including working under regulatory constraints An exploration of computer aided HPLC optimization, including ChromSwordAuto and Fusion QbD A treatment of current challenges for HPLC users in industry as well as large and small analytical service providers Discussions of current challenges for HPLC equipment suppliers Tailor-made for analytical chemists, chromatographers, pharmacologists, toxicologists, and lab technicians, Optimization in HPLC: Concepts and Strategies will also earn a place on the shelves of analytical laboratories in academia and industry who seek a one-stop reference for optimizing the performance of HPLC systems.