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Quantitative In Silico Chromatography

Quantitative In Silico Chromatography PDF Author: Toshihiko Hanai
Publisher: Royal Society of Chemistry
ISBN: 1782621504
Category : Science
Languages : en
Pages :

Book Description
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 PDF Author: Toshihiko Hanai
Publisher: Royal Society of Chemistry
ISBN: 1782621504
Category : Science
Languages : en
Pages :

Book Description
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 PDF Author: Toshihiko Hanai
Publisher: Royal Society of Chemistry
ISBN: 1782620168
Category : Science
Languages : en
Pages : 331

Book Description
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 Chromatographic Analysis

Quantitative Chromatographic Analysis PDF Author: Thomas Beesley
Publisher: CRC Press
ISBN: 9780203910788
Category : Science
Languages : en
Pages : 398

Book Description
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.

Mechanochromic Fluorescent Materials

Mechanochromic Fluorescent Materials PDF Author: Jiarui Xu
Publisher: Royal Society of Chemistry
ISBN: 1782621539
Category : Technology & Engineering
Languages : en
Pages : 274

Book Description
Mechanochromic fluorescent (or mechanofluorochromic) materials change their emission colours (spectra) when an appropriate external mechanical force stimulus is applied. This is an important group of materials with a huge range of applications, including use in sensors, memory chips, security inks, and light devices. Mechanochromic Fluorescent Materials introduces the reader to the concept of mechanofluorochromism and the variety of applications of this group of materials. Prominent international figures in mechanofluorochromism consider the innovative research in this field over the last ten years. Chapters provide in depth coverage of most reported mechanofluorochromic systems, including organic and organic-inorganic complexes; polymer and polymer composites; and aggregation-induced emission. This book is aimed to inform all students and researchers with an interest in mechanofluorochromism, and to help researchers identify and synthesize more of these materials, and develop the study and application of mechanofluorochromic materials.

Validation of Chromatography Data Systems

Validation of Chromatography Data Systems PDF Author: Robert McDowall
Publisher: Royal Society of Chemistry
ISBN: 1782624074
Category : Science
Languages : en
Pages : 733

Book Description
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.

Advances in Chromatography, Volume 49

Advances in Chromatography, Volume 49 PDF Author: Eli Grushka
Publisher: CRC Press
ISBN: 143984092X
Category : Medical
Languages : en
Pages : 433

Book Description
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

Quantitative Analysis of Multiply [sic] Charged Large Molecules in Human Or Rat Plasma Using Liquid Chromatography Tandem Mass Spectrometry

Quantitative Analysis of Multiply [sic] Charged Large Molecules in Human Or Rat Plasma Using Liquid Chromatography Tandem Mass Spectrometry PDF Author: Matthew Sean Halquist
Publisher:
ISBN:
Category :
Languages : en
Pages :

Book Description
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.

Quantitative Thin Layer Chromatography

Quantitative Thin Layer Chromatography PDF Author: Joseph Carey Touchstone
Publisher:
ISBN:
Category :
Languages : en
Pages : 330

Book Description


In Silico Chemistry and Biology

In Silico Chemistry and Biology PDF Author: Girish Kumar Gupta
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110492458
Category : Science
Languages : en
Pages : 274

Book Description
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 Thin-Layer Chromatography

Quantitative Thin-Layer Chromatography PDF Author: Bernd Spangenberg
Publisher:
ISBN: 9783642107344
Category :
Languages : en
Pages : 406

Book Description