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Quantitative In Silico Chromatography
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Book Synopsis Quantitative In Silico Chromatography by : Toshihiko Hanai
Download or read book Quantitative In Silico Chromatography written by Toshihiko Hanai and published by Royal Society of Chemistry. This book was released on 2014-05-07 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quantitative In Silico Chromatography by : Toshihiko Hanai
Download or read book Quantitative In Silico Chromatography written by Toshihiko Hanai and published by Royal Society of Chemistry. This book was released on 2014-05-07 with total page 353 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Mechanochromic Fluorescent Materials by : Jiarui Xu
Download or read book Mechanochromic Fluorescent Materials written by Jiarui Xu and published by Royal Society of Chemistry. This book was released on 2014-05-30 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to the concept of mechanofluorochromism and the variety of applications of this group of materials.
Book Synopsis Advances in Chromatography, Volume 49 by : Eli Grushka
Download or read book Advances in Chromatography, Volume 49 written by Eli Grushka and published by CRC Press. This book was released on 2016-04-19 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Quantitative Analysis of Multiply [sic] Charged Large Molecules in Human Or Rat Plasma Using Liquid Chromatography Tandem Mass Spectrometry by : Matthew Sean Halquist
Download or read book Quantitative Analysis of Multiply [sic] Charged Large Molecules in Human Or Rat Plasma Using Liquid Chromatography Tandem Mass Spectrometry written by Matthew Sean Halquist and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Immunoassays have traditionally been employed for the determination of plasma concentration-time profiles for pharmacokinetic studies of therapeutic proteins and peptides. These ligand binding assays have high sensitivity but require significant time for antibody generation (1 to 2 years) for assay development. Despite high sensitivity, these assays suffer from cross-reactivity that can lead to inaccurate results. As an alternative to immunoassays, this dissertation was focused on the development and validation of assays that can be used for quantitative analysis of peptides or proteins in plasma using liquid chromatography tandem mass spectrometry (LC-M.S./MS). Two approaches were considered for measurement of proteins and peptides fortified in plasma. The first approach involved employing signature peptides as quantitative surrogates of a target protein. This approach is a multistep process that includes: computer simulated (in silico) peptide predictions, protein purification, proteolytic digestion, peptide purification, and ultimately mass spectrometry. Signature peptides were determined through in silico peptide predictions and iterative tuning processes to represent Amevive℗' (Alefacept), a therapeutic for psoriasis, for quantification in human plasma. Horse heart myoglobin was chosen as a protein analogue internal standard to compensate for errors associated with matrix effects and to track recovery throughout the entire sample pretreatment process. Samples were prepared for analysis by selective precipitation of the target proteins with optimized pH and heat conditions followed by enzymatic digestion, dilution, and filtration. Combining selective precipitation and protein analogue internal standard lead to a method validated according to current FDA guidelines and achieved a linear range (250-10,000 ng/mL) suitable for monitoring the therapeutic levels of Alefacept (500 -6000 ng/mL) without the use of antibodies. A second approach exploited the mass spectrometric behavior of intact polypeptides. A polypeptide can exist in multiple charge states separated by mass to charge ratio (m/z). Herein, the charge state distribution and the formation of product ions to form selected reaction monitoring (SRM) transitions for intact polypeptide quantitative analysis was evaluated in plasma. Oxyntomodulin, a 37 amino acid anorectic peptide (4449 Da), was employed as a model for analysis in rat plasma. The +7 charge state form of OXM was used to form an SRM for quantitative analysis. Two-dimensional reversed phase ion pair chromatography, a modified solid phase extraction, and a multiply charged SRM of oxyntomodulin enabled a lower limit of quantification of 1 ng/mL. Following development of the LC-MS/MS method, a validation of this approach was performed according to FDA guidelines. Finally, to show further utility of LC-MS/MS, the validated oxyntomodulin method was used in a pharmacokinetic study with Sprague-Dawley rats. Rats were dosed with oxyntomodulin through intravenous or intratracheal instillation routes of administration. Plasma concentration-time profiles were determined. Using these profiles, noncompartmental parameters were determined for each dose and routes of administration.
Book Synopsis Quantitative Column Liquid Chromatography by : S.T. Balke
Download or read book Quantitative Column Liquid Chromatography written by S.T. Balke and published by Elsevier. This book was released on 2000-04-01 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative Column Liquid Chromatography
Book Synopsis Quantitative Thin-Layer Chromatography by : Bernd Spangenberg
Download or read book Quantitative Thin-Layer Chromatography written by Bernd Spangenberg and published by Springer. This book was released on 2011-01-05 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thin-layer chromatography (TLC) is widely used particularly for pharmaceutical and food analysis. While there are a number of books on the qualitative identification of chemical substances by TLC, the unique focus here is on quantitative analysis. The authors describe all steps of the analytical procedure, beginning with the basics and equipment for quantitative TLC followed by sample pretreatment and sample application, development and staining, scanning, and finally statistical and chemometric data evaluation and validation. An important feature is the coverage of effect-directed biological detection methods. Chapters are organized in a modular fashion facilitating the easy location of information about individual procedural steps.
Book Synopsis Validation of Chromatography Data Systems by : Robert McDowall
Download or read book Validation of Chromatography Data Systems written by Robert McDowall and published by Royal Society of Chemistry. This book was released on 2016-11-23 with total page 778 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quantitative Chromatographic Analysis by : Thomas Beesley
Download or read book Quantitative Chromatographic Analysis written by Thomas Beesley and published by CRC Press. This book was released on 2000-12-06 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Highlights critical factors involved in successful chromatographic analysis. Details analytical procedures; outlining sample preparation, collection, transportation, and storage. Provides step-by-step guidelines for producing analytical reports.
Book Synopsis Quantitative Thin Layer Chromatography by : Joseph Carey Touchstone
Download or read book Quantitative Thin Layer Chromatography written by Joseph Carey Touchstone and published by . This book was released on 1975 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantitative Anallysis Using Chromatographic Techniques by : E. Katz
Download or read book Quantitative Anallysis Using Chromatographic Techniques written by E. Katz and published by John Wiley & Sons. This book was released on 2009 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Quantitative Thin-Layer Chromatography by : Bernd Spangenberg
Download or read book Quantitative Thin-Layer Chromatography written by Bernd Spangenberg and published by . This book was released on 2011-03-30 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis In Silico Chemistry and Biology by : Girish Kumar Gupta
Download or read book In Silico Chemistry and Biology written by Girish Kumar Gupta and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-05-09 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Advances in Chromatography by : Eli Grushka
Download or read book Advances in Chromatography written by Eli Grushka and published by CRC Press. This book was released on 2014-03-18 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Molecular Descriptors for Chemoinformatics by : Roberto Todeschini
Download or read book Molecular Descriptors for Chemoinformatics written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2009-10-30 with total page 1257 pages. Available in PDF, EPUB and Kindle. Book excerpt: The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.
Book Synopsis Qualitative and Quantitative Analysis of Bioactive Natural Products 2018 by : Maria Carla Marcotullio
Download or read book Qualitative and Quantitative Analysis of Bioactive Natural Products 2018 written by Maria Carla Marcotullio and published by MDPI. This book was released on 2019-04-04 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Optimization in HPLC by : Stavros Kromidas
Download or read book Optimization in HPLC written by Stavros Kromidas and published by John Wiley & Sons. This book was released on 2021-08-06 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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