Preface |
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xi | |
Part 1 Basics |
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3 | |
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1.1 Overview of biomolecular EPR spectroscopy |
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3 | |
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1.2 How to use this book and associated software |
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4 | |
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1.3 A brief history of bioEPR |
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5 | |
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Chapter 2 The Spectrometer |
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9 | |
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2.1 The concept of magnetic resonance |
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9 | |
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2.2 The microwave frequency |
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12 | |
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2.3 Overview of the spectrometer |
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15 | |
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2.5 From source to detector |
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20 | |
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2.7 Phase-sensitive detection |
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23 | |
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2.8 Tuning the spectrometer |
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2.9 Indicative budget considerations |
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27 | |
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33 | |
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3.1 Sample tube and sample size |
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33 | |
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36 | |
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3.4 Biological relevance of a frozen sample |
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40 | |
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3.5 Sample preparation on the vacuum/gas manifold |
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47 | |
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Chapter 4 Experimental Key Parameters |
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53 | |
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4.1 Boltzmann and Heisenberg dictate optimal (P,T) pairs |
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4.2 Homogeneous versus inhomogeneous lines |
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58 | |
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4.3 Spin multiplicity and its practical implications... |
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61 | |
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Chapter 5 Resonance Condition |
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67 | |
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5.1 Main players in EPR theory: B,S, and I |
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71 | |
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5.3 Hyperfine interactions |
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5.6 Zero-field interactions |
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5.8 Interpretation of g,A,D |
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95 | |
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6.3 Walking the unit sphere |
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100 | |
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103 | |
Part 2 Theory |
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Chapter 7 Energy Matrices |
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7.2 Molecular Hamiltonian and spin Hamiltonian |
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112 | |
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7.3 Simple example: S = 1/2 |
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115 | |
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7.4 Not-so-simple example: S = 3/2 |
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119 | |
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7.5 Challenging example: integer spin S 2 |
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123 | |
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7.6 Compounded (or product) spin wavefunctions |
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131 | |
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Chapter 8 Biological Spin Hamiltonians |
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135 | |
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8.1 Higher powers of spin operators |
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135 | |
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8.2 Tensor noncolinearity |
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140 | |
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8.3 General EPR intensity expression |
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141 | |
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8.4 Numerical implementation of diagonalization solutions |
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145 | |
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8.5 A brief on perturbation theory |
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147 | |
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Chapter 9 Conformational Distributions |
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153 | |
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9.1 Classical models of anisotropic linewidth |
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153 | |
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9.2 Statistical theory of g-strain |
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157 | |
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9.3 Special case of full correlation |
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159 | |
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9.4 A (bio)molecular interpretation of g-strain |
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162 | |
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9.5 A-strain and D-strain: coupling to other interactions |
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164 | |
Part 3 Specific Experiments |
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Chapter 10 Aqueous Solutions |
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169 | |
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169 | |
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10.2 Spin labels in isotropic media |
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171 | |
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10.3 Spin labels in anisotropic media |
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177 | |
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10.4 Metalloproteins in solution |
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179 | |
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11.1 Dipole–dipole interactions |
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181 | |
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11.2 Dipolar interaction in multicenter proteins |
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184 | |
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11.3 Exchange interactions |
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188 | |
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196 | |
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197 | |
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Chapter 12 High Spins Revisited |
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199 | |
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12.1 Rhombograms for S = 7/2 and S = 9/2 |
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199 | |
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12.2 D-strain modeled as a rhombicity distribution |
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204 | |
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12.3 Population of half-integer spin multiplets |
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205 | |
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12.4 Intermediate-field case for S = 5/2 |
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207 | |
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12.5 Analytical lineshapes for integer spins |
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208 | |
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Chapter 13 Black Box Experiments |
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213 | |
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13.1 EPR-monitored binding experiments |
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214 | |
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13.2 EPR monitoring of redox states |
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215 | |
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13.3 EPR monitored kinetics |
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221 | |
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13.4 EPR of whole cells and organelles |
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222 | |
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Chapter 14 Strategic Considerations |
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225 | |
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14.1 Bio-integrated bioEPR |
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225 | |
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14.2 To be advanced or not to be advanced |
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14.3 Friday afternoon experiment |
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228 | |
References |
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231 | |
Index |
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241 | |