Allen850413 (Talk | contribs) |
|||
(16 intermediate revisions by 4 users not shown) | |||
Line 6: | Line 6: | ||
<meta name="viewport" content="width=device-width, initial-scale=1"> | <meta name="viewport" content="width=device-width, initial-scale=1"> | ||
− | |||
<script> | <script> | ||
$(document).ready(function(){ | $(document).ready(function(){ | ||
Line 83: | Line 82: | ||
<div class="container"> | <div class="container"> | ||
<ul class="front"> | <ul class="front"> | ||
+ | |||
<div id="home_button" style="cursor:pointer;" onclick="location.href= | <div id="home_button" style="cursor:pointer;" onclick="location.href= | ||
'https://2018.igem.org/Team:CCU_Taiwan';"> <img src="https://static.igem.org/mediawiki/2018/0/08/T--CCU_Taiwan--home_button.png"></img></div> | 'https://2018.igem.org/Team:CCU_Taiwan';"> <img src="https://static.igem.org/mediawiki/2018/0/08/T--CCU_Taiwan--home_button.png"></img></div> | ||
Line 92: | Line 92: | ||
<a href="https://2018.igem.org/Team:CCU_Taiwan/Medal"><li class="list" id="home3">Medals</li></a> | <a href="https://2018.igem.org/Team:CCU_Taiwan/Medal"><li class="list" id="home3">Medals</li></a> | ||
<a href="https://2018.igem.org/Team:CCU_Taiwan/Judge"><li class="list" id="home4">For Judges</li></a> | <a href="https://2018.igem.org/Team:CCU_Taiwan/Judge"><li class="list" id="home4">For Judges</li></a> | ||
+ | <a href="https://2018.igem.org/Team:CCU_Taiwan/Achievements"><li class="list" id="home5">Achievements</li></a> | ||
</ul> | </ul> | ||
</li> | </li> | ||
Line 130: | Line 131: | ||
<a href="https://2018.igem.org/Team:CCU_Taiwan/Entrepreneurship"><li class="list" id="human_practice3">Entrepreneurship</li></a> | <a href="https://2018.igem.org/Team:CCU_Taiwan/Entrepreneurship"><li class="list" id="human_practice3">Entrepreneurship</li></a> | ||
<a href="https://2018.igem.org/Team:CCU_Taiwan/engaging_experts"><li class="list" id="human_practice4">Engaging Experts</li></a> | <a href="https://2018.igem.org/Team:CCU_Taiwan/engaging_experts"><li class="list" id="human_practice4">Engaging Experts</li></a> | ||
− | <a href="https://2018.igem.org/Team:CCU_Taiwan/ | + | <a href="https://2018.igem.org/Team:CCU_Taiwan/Integrate"><li class="list" id="human_practice5">Integrated HP</li></a> |
</ul> | </ul> | ||
</li> | </li> | ||
Line 147: | Line 148: | ||
</header> | </header> | ||
+ | <div class="indicator"> | ||
+ | <div class="pointerModeling" id="1"><a href="#ca1">Free radicals</a></div> | ||
+ | <div class="pointerModeling" id="2"><a href="#ca2">Dimer formation</a></div> | ||
+ | </div> | ||
<div class="backgroundModeling"> | <div class="backgroundModeling"> | ||
Line 155: | Line 160: | ||
<p class="first">Gibbs free energy</p> | <p class="first">Gibbs free energy</p> | ||
<br> | <br> | ||
− | <p class="description">   | + | <p class="description">  Literature shows that coniferyl alcohol (monolignol G) forms resonance structure after creating a free radical, these resonance structures would form dimers (β-5, β-O-4, β-β). <br> |
− | + |   The reactions starts from the catalytic of the enzyme and the addition of water. We first assumed that our conditions may be different as the literature, so we decided to confirm the feasibility of the reaction through Gibbs free energy calculation.<br> | |
(Calculation method using Spartan 16) | (Calculation method using Spartan 16) | ||
</p><br><br> | </p><br><br> | ||
− | <p class="second">(1) From monomeric alcohol to carrying free radicals</p> | + | <p class="second" id="ca1">(1) From monomeric alcohol to carrying free radicals</p> |
<div id="Bind1" class="polaroid" style="display:inline-block"> | <div id="Bind1" class="polaroid" style="display:inline-block"> | ||
− | <img id="twopics"src="https://static.igem.org/mediawiki/2018/f/f2/T--CCU_Taiwan--model1.png | + | <img id="twopics"src="https://static.igem.org/mediawiki/2018/f/f2/T--CCU_Taiwan--model1.png"> |
<img id="twopics" src="https://static.igem.org/mediawiki/2018/8/8e/T--CCU_Taiwan--CCUmodel232.png"> | <img id="twopics" src="https://static.igem.org/mediawiki/2018/8/8e/T--CCU_Taiwan--CCUmodel232.png"> | ||
<div class="container"> | <div class="container"> | ||
− | <p>Figure 1: (Right) Reaction diagram (Vanholme, R. et al. 2010)</p> | + | <p>Figure 1: (Left) Three resonance forms(Wang, Y. et al. 2013), (Right) Reaction diagram (Vanholme, R. et al. 2010)</p> |
</div> | </div> | ||
</div> | </div> | ||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
<br><br> | <br><br> | ||
<div id="Bind2" class="polaroid" style="display:inline-block"> | <div id="Bind2" class="polaroid" style="display:inline-block"> | ||
Line 182: | Line 181: | ||
<br><br> | <br><br> | ||
− | <p class="description">In Figure 2. , we found that the free energy of | + | <p class="description">  In Figure 2. , we found that the free energy of this process is positive, which means it's not spontaneous. Thus, we think the way to make the reactions spontaneous is to use enzymes such as laccase and peroxidase.</p><br><br> |
− | <p class="second">(2) Free radical state | + | <p class="second" id="ca2">(2) Free radical state of dimer formation</p><br> |
<div id="Bind3" class="polaroid" style="display:inline-block"> | <div id="Bind3" class="polaroid" style="display:inline-block"> | ||
<img src="https://static.igem.org/mediawiki/2018/5/58/T--CCU_Taiwan--model2.png" width="100%"> | <img src="https://static.igem.org/mediawiki/2018/5/58/T--CCU_Taiwan--model2.png" width="100%"> | ||
Line 212: | Line 211: | ||
</div> | </div> | ||
</div><br><br> | </div><br><br> | ||
+ | <p class="description">  Through these simulations, it's obvious that these reactions are thermodynamically spontaneous at room temperature with catalysts, and it's also feasible to synthesize these bonds by using our enzymes.</p> | ||
+ | |||
+ | |||
+ | |||
<div id="Bind7" class="polaroid" style="display:inline-block"> | <div id="Bind7" class="polaroid" style="display:inline-block"> | ||
<img src="https://static.igem.org/mediawiki/2018/c/c8/T--CCU_Taiwan--model_table1.png" width="100%"> | <img src="https://static.igem.org/mediawiki/2018/c/c8/T--CCU_Taiwan--model_table1.png" width="100%"> | ||
Line 221: | Line 224: | ||
<img src="https://static.igem.org/mediawiki/2018/a/a5/T--CCU_Taiwan--model_table2.png" width="100%"> | <img src="https://static.igem.org/mediawiki/2018/a/a5/T--CCU_Taiwan--model_table2.png" width="100%"> | ||
<div class="container"> | <div class="container"> | ||
− | <p>Figure 8: Calculation data- | + | <p>Figure 8: Calculation data-resonance form to dimer</p> |
</div> | </div> | ||
</div><br><br> | </div><br><br> | ||
− | + | <p class="second">Reference</p> | |
− | + | <p class="description">Barceló, A. R., Ros, L. G., Gabaldón, C., López-Serrano, M., Pomar, F., Carrión, J. S., & Pedreño, M. A. (2004). Basic peroxidases: the gateway for lignin evolution? . Phytochemistry Reviews. (2004), 3(1-2), 61-78 | |
− | + | <br> | |
− | + | <br> | |
− | + | Vanholme, R., Demedts, B., Morreel, K., Ralph, J., & Boerjan, W. (2010). Lignin biosynthesis and structure.(2010) Plant physiology, 153(3), 895-905. | |
+ | <br> | ||
+ | <br> | ||
+ | Wang, Y., Chantreau, M., Sibout, R., & Hawkins, S. (2013). Plant cell wall lignification and monolignol metabolism. Frontiers in plant science, 4, 220 | ||
</p> | </p> | ||
− | + | <br> | |
− | + | <br> | |
− | + | <br> | |
− | + | <br> | |
− | + | ||
− | + | ||
</div> | </div> | ||
</div> | </div> |
Latest revision as of 08:48, 1 December 2018
BINDING MODEL
Gibbs free energy
Literature shows that coniferyl alcohol (monolignol G) forms resonance structure after creating a free radical, these resonance structures would form dimers (β-5, β-O-4, β-β).
The reactions starts from the catalytic of the enzyme and the addition of water. We first assumed that our conditions may be different as the literature, so we decided to confirm the feasibility of the reaction through Gibbs free energy calculation.
(Calculation method using Spartan 16)
(1) From monomeric alcohol to carrying free radicals
![](https://static.igem.org/mediawiki/2018/f/f2/T--CCU_Taiwan--model1.png)
![](https://static.igem.org/mediawiki/2018/8/8e/T--CCU_Taiwan--CCUmodel232.png)
Figure 1: (Left) Three resonance forms(Wang, Y. et al. 2013), (Right) Reaction diagram (Vanholme, R. et al. 2010)
![](https://static.igem.org/mediawiki/2018/6/6c/T--CCU_Taiwan--CCUmodel213212.png)
Figure 2: Monolignol as the free energy benchmark (1 hartree ≈ 2625.5 kJ/mole)
In Figure 2. , we found that the free energy of this process is positive, which means it's not spontaneous. Thus, we think the way to make the reactions spontaneous is to use enzymes such as laccase and peroxidase.
(2) Free radical state of dimer formation
![](https://static.igem.org/mediawiki/2018/5/58/T--CCU_Taiwan--model2.png)
Figure 3: The green indicator is β-O-4; the blue indicator is β-β; the red indicator is β-5 (Barceló, A. R. et al. 2004)
![](https://static.igem.org/mediawiki/2018/2/2d/T--CCU_Taiwan--model4.png)
Figure 4: β-β free energy changes, (a) is the two resonant monolignols, (b) is the two resonant monolignol bonds, (c) is β-β formation (1 hartree ≈ 2625.5 kJ/mole)
![](https://static.igem.org/mediawiki/2018/f/f5/T--CCU_Taiwan--model5.png)
![](https://static.igem.org/mediawiki/2018/d/da/T--CCU_Taiwan--model6.png)
Figure 5: β-5 free energy changes, (a) is the two resonant monolignols, (b) is the two resonant monolignol bonds, (c) is β-5 formation (1 hartree ≈ 2625.5 kJ/mole)
![](https://static.igem.org/mediawiki/2018/e/ef/T--CCU_Taiwan--model7.png)
![](https://static.igem.org/mediawiki/2018/0/04/T--CCU_Taiwan--model8.png)
Figure 6: β-O-4 free energy change, (a) is two resonance monolignols, (b) is two resonance monolignol bonding, (c) is formed by β-O-4, and water is added to the reaction at 2 to 3 (1 hartree ≈ 2625.5 kJ/mole)
Through these simulations, it's obvious that these reactions are thermodynamically spontaneous at room temperature with catalysts, and it's also feasible to synthesize these bonds by using our enzymes.
![](https://static.igem.org/mediawiki/2018/c/c8/T--CCU_Taiwan--model_table1.png)
Figure 7: Calculation data-coniferyl alcohol to resonance form
![](https://static.igem.org/mediawiki/2018/a/a5/T--CCU_Taiwan--model_table2.png)
Figure 8: Calculation data-resonance form to dimer
Reference
Barceló, A. R., Ros, L. G., Gabaldón, C., López-Serrano, M., Pomar, F., Carrión, J. S., & Pedreño, M. A. (2004). Basic peroxidases: the gateway for lignin evolution? . Phytochemistry Reviews. (2004), 3(1-2), 61-78
Vanholme, R., Demedts, B., Morreel, K., Ralph, J., & Boerjan, W. (2010). Lignin biosynthesis and structure.(2010) Plant physiology, 153(3), 895-905.
Wang, Y., Chantreau, M., Sibout, R., & Hawkins, S. (2013). Plant cell wall lignification and monolignol metabolism. Frontiers in plant science, 4, 220