Computational Techniques For Analytical Chemistry And Bioanalysis

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Computational Techniques For Analytical Chemistry And Bioanalysis

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Author : Philippe B Wilson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-12-08

Computational Techniques For Analytical Chemistry And Bioanalysis written by Philippe B Wilson and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-08 with Science categories.

As analysis, in terms of detection limits and technological innovation, in chemical and biological fields has developed so computational techniques have advanced enabling greater understanding of the data. Indeed, it is now possible to simulate spectral data to an excellent level of accuracy, allowing chemists and biologists access to robust and reliable analytical methodologies both experimentally and theoretically. This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory. Computational approaches provide additional depth to biochemical problems, as well as offering alternative explanations to atomic scale phenomena. Highlighting the innovative and wide-ranging breakthroughs made by leaders in computational spectrum prediction and the application of computational methodologies to analytical science, this book is for graduates and postgraduate researchers showing how computational analytical methods have become accessible across disciplines. Contributed chapters originate from a group of internationally-recognised leaders in the field, each applying computational techniques to develop our understanding of and supplement the data obtained from experimental analytical science.

Effects Of Electric Fields On Structure And Reactivity

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Author : Sason Shaik
language : en
Publisher: Royal Society of Chemistry
Release Date : 2021-03-05

Effects Of Electric Fields On Structure And Reactivity written by Sason Shaik and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-05 with Science categories.

Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels–Alder reaction, which involves two simultaneous C–C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and designed, or even surface induced fields (plasmons), are brought to bear on chemical reactions, molecular structures, and nano-systems, leading to control of reactivity, selectivity, chirality, molecular orientations, changes in structure, and in dynamics. Written by leaders in the field, Effects of Electric Fields on Structure and Reactivity is the first book on this exciting topic. Starting with an overview of the theory behind – and demonstrations of the effect of – electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work. Covering applications and recent theoretical developments, it is a useful resource for theoretical chemists and experimentalists alike.

Green Miniaturized Technologies In Analytical And Bioanalytical Chemistry

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Author : Chaudhery Mustansar Hussain
language : en
Publisher: Elsevier
Release Date : 2025-02-03

Green Miniaturized Technologies In Analytical And Bioanalytical Chemistry written by Chaudhery Mustansar Hussain and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-03 with Science categories.

Green Miniaturized Technologies in Analytical and Bioanalytical Chemistry, Volume 109 looks into the potential of analytical chemistry by studying trends and technologies for the future of the discipline. Chapters in this new release include Green Miniaturized Technologies Based Sample Preparation Techniques, Green Miniaturized Extraction technologies, Green sorbent-based microextraction techniques in sample preparation for food analysis, Sample treatment based on solid miniaturized techniques: An effective approach for biological samples evaluation, Lab on Chip with Green Miniaturized Technologies, Analytical devices based on Green Miniaturized Technologies, and much more.Additional sections delve into Sensing Platforms Based on Green Miniaturized Technologies, Point-of-care applications with Green Miniaturized Technologies, Future of Analytical Chemistry with Green Miniaturized Technologies, Eutectic Mixtures for Efficient Extraction and Enrichment of Bioactive(s) from Complex Sample Matrix: Sample Pretreatment and Measurements, Green miniaturized technologies for microplastic/nanoplastics separation and analysis, and much more. - Explores the latest green miniaturized technologies utilized in analytical and bioanalytical chemistry - Offers comprehensive design and applications for green miniaturized technologies in analytical and bioanalytical chemistry - Focuses on emerging trends and the potential of green miniaturized technologies in future analytical chemistry

Microbial Natural Products Chemistry

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Author : Taícia Pacheco Fill
language : en
Publisher: Springer Nature
Release Date : 2023-10-16

Microbial Natural Products Chemistry written by Taícia Pacheco Fill and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-16 with Science categories.

​This book focuses on the importance of omics strategies and de-replication analysis to unveil new molecules from microbial sources with diverse chemical structures and biological functions. Chapters address metabolomics strategies, which will lead to a better understanding of the chemical interactions between microorganisms, plant-microorganisms, and virus-microorganisms. Authors also describe analytical tools used in microbial metabolomics and natural products discovery, in addition to describing a step-by-step protocol to identify and annotate metabolites using various databases and online platforms. The book presents the newest research, tools, and protocols for chemists, biochemists, bio-and chemical engineers, and biotechnologists, among others.

Issues In Industrial Applied And Environmental Chemistry 2013 Edition

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Author :
language : en
Publisher: ScholarlyEditions
Release Date : 2013-05-01

Issues In Industrial Applied And Environmental Chemistry 2013 Edition written by and has been published by ScholarlyEditions this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-05-01 with Science categories.

Issues in Industrial, Applied, and Environmental Chemistry: 2013 Edition is a ScholarlyEditions™ book that delivers timely, authoritative, and comprehensive information about Synthetic Organic Chemistry. The editors have built Issues in Industrial, Applied, and Environmental Chemistry: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Synthetic Organic Chemistry in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Industrial, Applied, and Environmental Chemistry: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Computational Automation For Water Security

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Author : Ashutosh Kumar Dubey
language : en
Publisher: Elsevier
Release Date : 2025-02-27

Computational Automation For Water Security written by Ashutosh Kumar Dubey and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-27 with Science categories.

Computational Automation for Water Security: Enhancing Water Quality Management is a comprehensive and insightful guide which explores the challenges posed by inefficient and outdated practices, presenting innovative solutions to enhance decision-making, optimizing water treatment processes, and ultimately improving environmental outcomes. Through the coverage of advanced computational techniques, such as data analysis, machine learning, and optimization strategies, readers will gain a deep understanding of how computational automation can revolutionize decision-making. This book is an invaluable resource for professionals, researchers, and policymakers seeking to stay at the forefront of water quality management practices, harnessing the power of computational automation for a cleaner, healthier future. - Offers a holistic understanding of the application of computational automation in water quality management - Contains practical and unique updates to help learners how to apply computational techniques to address water quality challenges - Provides a comprehensive and multidisciplinary perspective on water quality management

Cheminformatics And Bioinformatics At The Interface With Systems Biology

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Author : Aman Chandra Kaushik
language : en
Publisher: Royal Society of Chemistry
Release Date : 2023-09-08

Cheminformatics And Bioinformatics At The Interface With Systems Biology written by Aman Chandra Kaushik and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-09-08 with Science categories.

The cost of drug development is increasing, and investment returns are decreasing. The number of drugs approved by FDA is in decline in terms of the number of new molecular entities (NMEs). Amongst the reasons noted for this are the adverse side effects and reduced efficiency of many of the potential compounds. This is a problem both for the pharmaceutical industry and for those suffering from diseases for which there are no or few available treatments. Advances in computational chemistry, computer science, structural biology and molecular biology have all contributed to improved drug design strategies and reduced the time taken for drug discovery. By interfacing cheminformatics and bioinformatics with systems biology we can create a powerful tool for understanding the mechanisms of patho-physiological systems and identifying lead molecules for various diseases. This integration of drug design approaches can also play a crucial role in the prediction and rationalization of drug effects and side effects, improving safety and efficacy and leading to better approval rates. Addressing the lack of knowledge on the fundamental aspects of the various computational tools for drug discovery, this book is a compilation of recent bioinformatics and cheminformatics approaches, and their integration with systems biology. Written primarily for researchers and academics in chem- and bioinformatics, it may also be a useful resource for advanced-level students.

Chemical Analysis Of Food Techniques And Applications

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Author : Yolanda Picó
language : en
Publisher: Academic Press
Release Date : 2012-07-18

Chemical Analysis Of Food Techniques And Applications written by Yolanda Picó and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-07-18 with Science categories.

"The book contains twenty three chapters written by experts on the subject, is structured in two parts: the first one describes the role of the latest developments in analytical and bioanalytical techniques, and the second one deals with the most innovative applications and issues in food analysis. The two first introductory chapters about sampling technique, from basic one to the most recent advances, which is still a food challenge because is responsible of the quality and assurance of the analysis, and on data analysis and chemometrics are followed by a review of the most recently applied techniques in process (on-line) control and in laboratories for the analysis of major or minor compounds of food. These techniques ranged from the non-invasive and non-destructive ones, such as infrared spectroscopy, magnetic resonance and ultrasounds, to emerging areas as nanotechnology, biosensors and electronic noses and tongues, including those already well-established in food analysis, such as chromatographic and electrophoretic techniques. These chapters also include two important tools for solving problems in chemical and biological analysis such as mass spectrometry and molecular-based techniques"--Provided by publisher.

Structural Dynamics With X Ray And Electron Scattering

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Author : Kasra Amini
language : en
Publisher: Royal Society of Chemistry
Release Date : 2023-12-20

Structural Dynamics With X Ray And Electron Scattering written by Kasra Amini and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-20 with Science categories.

Since the early 20th century, X-ray and electron scattering has provided a powerful means by which the location of atoms can be identified in gas-phase molecules and condensed matter with sub-atomic spatial resolution. Scattering techniques can also provide valuable observables of the fundamental properties of electrons in matter such as an electron’s spin and its energy. In recent years, significant technological developments in both X-ray and electron scattering have paved the way to time-resolved analogues capable of capturing real-time snapshots of transient structures undergoing a photochemical reaction. Structural Dynamics with X-ray and Electron Scattering is a two-part book that firstly introduces the fundamental background to scattering theory and photochemical phenomena of interest. The second part discusses the latest advances and research results from the application of ultrafast scattering techniques to imaging the structure and dynamics of gas-phase molecules and condensed matter. This book aims to provide a unifying platform for X-ray and electron scattering.

Theoretical And Computational Photochemistry

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Author : García Iriepa Cristina
language : en
Publisher: Elsevier
Release Date : 2023-04-21

Theoretical And Computational Photochemistry written by García Iriepa Cristina and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-04-21 with Medical categories.

Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of photoactive systems and photochemical processes. After an introduction to photochemistry, the book discusses the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics to which these methods have been applied. By discussing the synergy between experimental and computational data, the book highlights how theoretical studies could facilitate understanding experimental findings. This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in utilizing computational photochemistry methods for their own work. - Reviews the fundamentals of photochemistry, helping those new to the field in understanding key concepts - Provides detailed guidance and comparison of computational and theoretical methods, highlighting the suitability of each method for different case studies - Outlines current applications to encourage discussion of the synergy between experimental and computational data, and inspiring further application of these methods to other photochemical processes