Searching for Molecular Solutions

Searching for Molecular Solutions

Author: Ian S. Dunn

Publisher: John Wiley & Sons

Published: 2010-01-05

Total Pages: 480

ISBN-13: 0470551445

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A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspects of molecular discovery, as well as the thought processes behind experimental approaches.


Book Synopsis Searching for Molecular Solutions by : Ian S. Dunn

Download or read book Searching for Molecular Solutions written by Ian S. Dunn and published by John Wiley & Sons. This book was released on 2010-01-05 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspects of molecular discovery, as well as the thought processes behind experimental approaches.


Characterizing Student Thinking about Solutions and the Solvation Process

Characterizing Student Thinking about Solutions and the Solvation Process

Author: Oscar Herbert Judd

Publisher:

Published: 2019

Total Pages: 226

ISBN-13: 9780438939011

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Chemistry is all about how atoms and molecules interact with themselves and each other resulting in properties and phenomena that can be detected and observed at the macroscopic scale. It follows quite closely then, that an important goal of chemistry education is to help students understand how macroscopic phenomena are governed by interactions and energy changes that accompany changes in interactions at the molecular level. While the literature is filled with examples of ways student incorrectly understand energy across a wide range of topics in chemistry, there is a growing trend to characterize students understanding along a continuum rather than catalog incorrect ideas. This research seeks to characterize how students in a reformed general chemistry curriculum, Chemistry, Life, the Universe and Everything (CLUE), understand solutions and the solvation process in the context of the dissolution of an ionic salt to form an aqueous solution. Preliminary research uncovered representative ways students successfully and unsuccessfully described an observable temperature change that accompanied the solvation process in a series of student interviews. These findings, as well as reasoning strategies that were observed to help students make connections between atomic-molecular level interactions and energy and macroscopic level temperature changes, were used to design a formative assessment activity targeting this phenomenon. Specific assessment tasks in which students constructed representations and explanations of the temperature change that accompanied solvation were then operationalized as research tools and administered as formative and summative assessments. Subsequent analysis of student responses resulted in development of robust coding schemes that were used to characterize how students used mechanistic components in their representations and explanations. In spite of extensive literature describing student difficulties representing solutions, the vast majority of students in the CLUE curriculum were observed to be able to represent the fully dissolved solution as being composed of separated ions each individually interacting with solvent molecules. Further revision of the explanation prompt, leveraging principles influenced by the scaffolding and evidence centered design literature, resulted in a medium to large increase in sophistication of students' use of interactions from representation to explanation tasks; these results were replicated in multiple student populations. Finally, implications of this work relevant to enacting curricular support for students to use atomic-molecular scale interactions in a mechanistic way are presented, including the importance of designing assessments capable of eliciting evidence of student understanding.


Book Synopsis Characterizing Student Thinking about Solutions and the Solvation Process by : Oscar Herbert Judd

Download or read book Characterizing Student Thinking about Solutions and the Solvation Process written by Oscar Herbert Judd and published by . This book was released on 2019 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry is all about how atoms and molecules interact with themselves and each other resulting in properties and phenomena that can be detected and observed at the macroscopic scale. It follows quite closely then, that an important goal of chemistry education is to help students understand how macroscopic phenomena are governed by interactions and energy changes that accompany changes in interactions at the molecular level. While the literature is filled with examples of ways student incorrectly understand energy across a wide range of topics in chemistry, there is a growing trend to characterize students understanding along a continuum rather than catalog incorrect ideas. This research seeks to characterize how students in a reformed general chemistry curriculum, Chemistry, Life, the Universe and Everything (CLUE), understand solutions and the solvation process in the context of the dissolution of an ionic salt to form an aqueous solution. Preliminary research uncovered representative ways students successfully and unsuccessfully described an observable temperature change that accompanied the solvation process in a series of student interviews. These findings, as well as reasoning strategies that were observed to help students make connections between atomic-molecular level interactions and energy and macroscopic level temperature changes, were used to design a formative assessment activity targeting this phenomenon. Specific assessment tasks in which students constructed representations and explanations of the temperature change that accompanied solvation were then operationalized as research tools and administered as formative and summative assessments. Subsequent analysis of student responses resulted in development of robust coding schemes that were used to characterize how students used mechanistic components in their representations and explanations. In spite of extensive literature describing student difficulties representing solutions, the vast majority of students in the CLUE curriculum were observed to be able to represent the fully dissolved solution as being composed of separated ions each individually interacting with solvent molecules. Further revision of the explanation prompt, leveraging principles influenced by the scaffolding and evidence centered design literature, resulted in a medium to large increase in sophistication of students' use of interactions from representation to explanation tasks; these results were replicated in multiple student populations. Finally, implications of this work relevant to enacting curricular support for students to use atomic-molecular scale interactions in a mechanistic way are presented, including the importance of designing assessments capable of eliciting evidence of student understanding.


Beyond the Molecular Frontier

Beyond the Molecular Frontier

Author: National Research Council

Publisher: National Academies Press

Published: 2003-03-19

Total Pages: 238

ISBN-13: 0309168392

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Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.


Book Synopsis Beyond the Molecular Frontier by : National Research Council

Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.


Molecular Theory of Solutions

Molecular Theory of Solutions

Author: Arieh Ben-Naim

Publisher: OUP Oxford

Published: 2006-07-27

Total Pages: 398

ISBN-13: 0191538493

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This book presents new and updated developments in the molecular theory of mixtures and solutions. It is based on the theory of Kirkwood and Buff which was published more than fifty years ago. This theory has been dormant for almost two decades. It has recently become a very powerful and general tool to analyze, study and understand any type of mixtures from the molecular, or the microscopic point of view. The traditional approach to mixture has been, for many years, based on the study of excess thermodynamic quantities. This provides a kind of global information on the system. The new approach provides information on the local properties of the same system. Thus, the new approach supplements and enriches our information on mixtures and solutions.


Book Synopsis Molecular Theory of Solutions by : Arieh Ben-Naim

Download or read book Molecular Theory of Solutions written by Arieh Ben-Naim and published by OUP Oxford. This book was released on 2006-07-27 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents new and updated developments in the molecular theory of mixtures and solutions. It is based on the theory of Kirkwood and Buff which was published more than fifty years ago. This theory has been dormant for almost two decades. It has recently become a very powerful and general tool to analyze, study and understand any type of mixtures from the molecular, or the microscopic point of view. The traditional approach to mixture has been, for many years, based on the study of excess thermodynamic quantities. This provides a kind of global information on the system. The new approach provides information on the local properties of the same system. Thus, the new approach supplements and enriches our information on mixtures and solutions.


The Potential Distribution Theorem and Models of Molecular Solutions

The Potential Distribution Theorem and Models of Molecular Solutions

Author: Thomas L. Beck

Publisher:

Published: 2006

Total Pages: 230

ISBN-13: 9780511241017

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An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This book explains molecular solution modeling utilising the potential distribution theorem. The text is illustrated with models of solution thermodynamics, numerous exercises and is intended for research students working in the field of molecular science.


Book Synopsis The Potential Distribution Theorem and Models of Molecular Solutions by : Thomas L. Beck

Download or read book The Potential Distribution Theorem and Models of Molecular Solutions written by Thomas L. Beck and published by . This book was released on 2006 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This book explains molecular solution modeling utilising the potential distribution theorem. The text is illustrated with models of solution thermodynamics, numerous exercises and is intended for research students working in the field of molecular science.


De novo Molecular Design

De novo Molecular Design

Author: Gisbert Schneider

Publisher: John Wiley & Sons

Published: 2013-10-10

Total Pages: 540

ISBN-13: 3527677038

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Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.


Book Synopsis De novo Molecular Design by : Gisbert Schneider

Download or read book De novo Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2013-10-10 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.


Molecular Design

Molecular Design

Author: Gisbert Schneider

Publisher: John Wiley & Sons

Published: 2008-02-26

Total Pages: 284

ISBN-13: 9783527314324

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Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).


Book Synopsis Molecular Design by : Gisbert Schneider

Download or read book Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2008-02-26 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).


Chemistry 2e

Chemistry 2e

Author: Paul Flowers

Publisher:

Published: 2019-02-14

Total Pages: 0

ISBN-13: 9781947172623

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Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.


Book Synopsis Chemistry 2e by : Paul Flowers

Download or read book Chemistry 2e written by Paul Flowers and published by . This book was released on 2019-02-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.


Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

Author: Dastmalchi, Siavoush

Publisher: IGI Global

Published: 2016-05-11

Total Pages: 386

ISBN-13: 1522503633

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As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.


Book Synopsis Applied Case Studies and Solutions in Molecular Docking-Based Drug Design by : Dastmalchi, Siavoush

Download or read book Applied Case Studies and Solutions in Molecular Docking-Based Drug Design written by Dastmalchi, Siavoush and published by IGI Global. This book was released on 2016-05-11 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.


Molecular Thermodynamics Of Electrolyte Solutions (Second Edition)

Molecular Thermodynamics Of Electrolyte Solutions (Second Edition)

Author: Lloyd L Lee

Publisher: World Scientific

Published: 2021-01-07

Total Pages: 295

ISBN-13: 9811233012

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Electrolytes and salt solutions are ubiquitous in chemical industry, biology and nature. This unique compendium introduces the elements of the solution properties of ionic mixtures. In addition, it also serves as a bridge to the modern researches into the molecular aspects of uniform and non-uniform charged systems. Notable subjects include the Debye-Hückel limit, Pitzer's formulation, Setchenov salting-out, and McMillan-Mayer scale. Two new chapters on industrial applications — natural gas treating, and absorption refrigeration, are added to make the book current and relevant.This textbook is eminently suitable for undergraduate and graduate students. For practicing engineers without a background in salt solutions, this introductory volume can also be used as a self-study.


Book Synopsis Molecular Thermodynamics Of Electrolyte Solutions (Second Edition) by : Lloyd L Lee

Download or read book Molecular Thermodynamics Of Electrolyte Solutions (Second Edition) written by Lloyd L Lee and published by World Scientific. This book was released on 2021-01-07 with total page 295 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrolytes and salt solutions are ubiquitous in chemical industry, biology and nature. This unique compendium introduces the elements of the solution properties of ionic mixtures. In addition, it also serves as a bridge to the modern researches into the molecular aspects of uniform and non-uniform charged systems. Notable subjects include the Debye-Hückel limit, Pitzer's formulation, Setchenov salting-out, and McMillan-Mayer scale. Two new chapters on industrial applications — natural gas treating, and absorption refrigeration, are added to make the book current and relevant.This textbook is eminently suitable for undergraduate and graduate students. For practicing engineers without a background in salt solutions, this introductory volume can also be used as a self-study.