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Mark McAuley - Computer Modelling for Nutritionists

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Mark McAuley Computer Modelling for Nutritionists

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Mark Toms Mc Auley Computer Modelling for Nutritionists Mark Toms Mc - photo 1
Mark Toms Mc Auley
Computer Modelling for Nutritionists
Mark Toms Mc Auley Faculty of Science and Engineering University of Chester - photo 2
Mark Toms Mc Auley
Faculty of Science and Engineering, University of Chester, Chester, UK
ISBN 978-3-319-39992-8 e-ISBN 978-3-319-39994-2
https://doi.org/10.1007/978-3-319-39994-2
Springer Nature Switzerland AG 2019
This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed.
The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use.
The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, expressed or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

This Springer imprint is published by the registered company Springer Nature Switzerland AG

The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland

Preface

This book is about computational modelling of nutrient focused biological systems. The book is aimed at students, researchers, and those with an interest in learning how to build a computational model. The book is the product of many years of teaching computational modelling to undergraduates, postgraduates, and researchers with limited, or no background in computational modelling. What I learned from these experiences is those new to modelling are invariably apprehensive about it and approach it with a degree of trepidation, or even scepticism. However, from tentative initial steps, they quickly realize that modelling is not as challenging or as academically intimidating as they initially perceive it; and after gaining familiarity with the essential components of model building they rapidly become cognizant that it offers an alternative lens to view a biological system and learn new insights about its underlying dynamic behaviour.

In this book, I provide a practical introduction to modelling, for those who are interested in exploring the dynamics of nutrient-based systems. My rationale for undertaking this project is based on my experience of interacting with nutritionists in recent years. As a result of many fruitful discussions, I identified a growing need for a book of this nature, which is specifically tailored to nutritionists. My aims are to provide the reader with a solid grounding in computational modelling, and how it dovetails within the burgeoning field of systems biology. For the reader, this will involve learning how a model is assembled, what software tools are available for model building, what the different paradigms are for simulating a model, and how to analyse and interpret the output from in silico simulations. The only expectation I make of you, as a reader, is that you are enthusiastic about learning how to use new software tools. In exchange for your engagement, I will provide you with ample practical exercises, which will help to consolidate your learning and will make your computational modelling journey a rewarding and enjoyable experience.

Mark Toms Mc Auley
Chester, UK
Acknowledgements

I sincerely acknowledge Dr. Amy Morgan for proofreading this manuscript and for providing advice on the formatting of figures. I would also like to acknowledge Dr. Bernard Corfe, at the University of Sheffield for providing me with the opportunity to teach computational modelling to his M.Sc. in Oncology students, for the last 5 years. These sessions helped to inform the development of much of the material used in this book. Finally, I would like to thank all the students and researchers I have taught computational modelling over the years. Your open-mindedness, enthusiasm, and feedback have been invaluable in shaping the content of this book.

Contents
About the Author
Mark Toms Mc Auley

is a senior lecturer in Chemical Engineering at the University of Chester. He has an undergraduate B.Sc. (Hons) degree in biochemical sciences from Ulster University, a M.Sc. in computer science, also from Ulster University, and a Ph.D. in mathematical modelling from Newcastle University. In addition, he is a qualified secondary school teacher, having specialized in biology and mathematics. His research interests are computational modelling of nutrient-based systems and their intersection with ageing, specifically, folate and cholesterol metabolism.

Springer Nature Switzerland AG 2019
M. T. Mc Auley Computer Modelling for Nutritionists https://doi.org/10.1007/978-3-319-39994-2_1
1. Introduction
Mark Toms Mc Auley
(1)
Faculty of Science and Engineering, University of Chester, Chester, UK
Mark Toms Mc Auley
Email:
1.1 Introduction: The Systems Biology Paradigm Shift
Traditionally, when nutritionists have investigated complex nutrient centred pathways, they have used an array of laboratory techniques to help decipher the underlying behaviour of these systems. These approaches are in the main reductionist [), and its goal is to use in silico experimentation to provide deeper insights into the underlying behaviour of a biological system.
Fig 11 The interdisciplinary nature of computational systems biology 12 - photo 3
Fig. 1.1

The interdisciplinary nature of computational systems biology

1.2 What Is Computational Modelling?
As outlined in the previous section, computational modelling resides at the centre of the systems approach. So what is computational modelling, and why has it become so important? In essence, computational modelling involves representing a biological system in an extremely precise manner using mathematics [).
Fig 12 The cyclical nature of computational systems biology The contribution - photo 4
Fig. 1.2

The cyclical nature of computational systems biology

The contribution this methodology can make to our understanding of intricate biological systems is evident; as output from model simulations can be used to explore the behaviour of a biological system under a range of conditions [].

1.3 Why Nutrition Needs Modelling

In addition to the generic advantages of computational modelling outlined in Sect. ]. Although computational modelling does not completely solve all these problems it provides a means of alleviating them. In the following sections we will observe how modelling has been used to elucidate two keys areas of nutrition.

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