First do no harm : a chemist's guide to molecular design for reduced hazard / Predrag V. Petrociv, Paul T., Anastas.

Format:

Book

Author/Creator:

Petrovic, Predrag V., author.

Anastas, Paul T., 1962- author.

Language:

English

Subjects (All):

Green chemistry.

Toxicology.

Physical Description:

xxv, 236 pages : illustrations (some colour) ; 24 cm

Place of Publication:

Singapore : Jenny Stanford Publishing, [2023]

Biography/History:

Predrag V. Petrovic is an associate research scientist at the Yale School of the Environment, Yale University, Connecticut, USA. He obtained a joint PhD in organometallic chemistry at the University of Belgrade, Serbia, and the University of Strasbourg, France, in 2014 where he applied experimental and theoretical approaches in studying non-covalent interactions in organometallic complexes. In 2017, he joined the Center for Green Chemistry and Green Engineering at Yale where his main research focus is setting a foundation for the methodology that will help safer chemical design that complies with the 12 principles of green chemistry by using various computational tools. Paul T. Anastas is the Teresa and H. John Heinz III Professor in the practice of chemistry for the environment. He has appointments in the School of the Environment, School of Public Health, Department of Chemistry, and Department of Chemical Engineering at Yale University, Connecticut, USA. In addition, Prof. Anastas serves as the director of the Center for Green Chemistry and Green Engineering at Yale. He has also served as the assistant administrator and science advisor at the US Environmental Protection Agency (US EPA); director of the ACS Green Chemistry Institute in Washington, DC; and assistant director for the environment in the White House Office of Science and Technology Policy. He is credited with establishing the field of green chemistry during his time working for the US EPA and is a recipient of the Volvo Environment prize for pioneering work in developing non-hazardous chemicals in 2021.

Summary:

One of the fundamental principles of green chemistry is to design chemical products that minimize adverse consequences to human health and the environment. While chemists have been designing molecules for 200 years to have a limitless range of commercial applications, little or no attention has been given to developing commercial chemicals while avoiding hazards and toxicity. This book is the first to provide chemists with useful, practical guidance on how to minimize or avoid a wide range of hazards. Building on the insights gained from the pharmaceutical industry over the past 25 years on how to create desirable biological effects, the authors demonstrate how to avoid undesirable biological effects by design.

Contents:

Introduction

Chapter 1: Hazard

1.1: What Is a Chemical Hazard?

1.2: What Is a Toxicological Hazard?

1.3: What Is an Ecotoxicological Hazard?

1.4: What Is a Physical Hazard?

1.5: What Causes Explosivity?

1.6: What Is "Oxygen Balance" and How Does It Calculate Explosivity?

1.7: What Is a Global Hazard?

Chapter 2: ADME

2.1: Why Is Absorption Crucial to Toxicity?

2.2: What Is Lipinski's Rule of Five?

2.3: What Is Log P/Log Kow?

2.4: How Does Log P Affect Absorption?

2.5: What Is the Difference Between Active and Passive Transport?

2.6: Why Is Metabolism Crucial to Toxicity?

2.7: What Is the Bioactivation Step in Metabolism?

2.8: What Is the Detoxification Step in Metabolism?

2.9: What Is Distribution and Why Is It Crucial to Toxicity?

2.10: What Properties Promote Distribution?

2.11: What Is Excretion and Why Is It Crucial to Toxicity?

Chapter 3: Degradability

3.1: What Is the Difference Between Degradability and Biodegradability?

3.2: What Is Photolytic Degradation?

3.3: What Is Hydrolytic Degradation?

3.4: What Are Thermolytic Degradation and Pyrolysis?

3.5: How Is Biodegradability Measured?

3.6: What Is Aerobic Degradation?

3.7: What Is Anaerobic Degradation?

3.8: How Does Branching of a Carbon Chain Impact Biodegradation?

3.9: How Do Fused Rings Impact Biodegradation?

3.10: How Do Heteroatoms Impact Biodegradation?

3.11: How Do Charged Functional Groups Impact Biodegradation?

3.12: What Is Persistence?

3.13: Why Are Perfluorinated Compounds so Persistent?

Chapter 4: Dose/Response/Risk

4.1: What Is a Dose?

4.2: What Is Dose-Response?

4.3: What Can Dose-Response Curves Tell Us?

4.4: What Is Toxic Dose Versus Effective Dose?

4.5: What Are the Pathways of Exposure?

Chapter 5: Pharmacodynamics

5.1: What Is Pharmacodynamics?

5.2: What Are Receptor Interactions?

5.3: What Does the HOMO-LUMO Gap Has to Do with Pharmacodynamics?

Chapter 6: Classes of Chemicals

6.1: What Are the Biggest Concerns About Organohalogens?

6.2: What Are the Biggest Concerns for Epoxides?

6.3: What Are the Biggest Concerns for Polymers?

6.4: What Are the Biggest Concerns with Nitriles?

6.5: What Are the Biggest Concerns with Electrophiles?

6.6: What Are the Biggest Concerns with Asbestos?

Chapter 7: Design Rules for Safer Chemicals

7.1: Strategies to Minimize Hazard

7.2: How to Design to Reduce Toxicity?

7.3: How to Design for Minimized Ignition?

7.4: How to Design to Minimize Explosivity?

7.5: How to Design to Reduce Absorption?

7.6: How Can We Change Properties/Structure to Minimize Inhalation?

7.7: How Can We Change Properties/Structure to Minimize Transport Across the Gastrointestinal Tract?

7.8: How Can We Change Properties/Structure to Minimize Transport Across Skin?

Notes:

Includes bibliographical references and index.

Other Format:

ebook version :

ISBN:

9789814968591

9814968595

OCLC:

1369339239

Publisher Number:

99994769316