<mxfile host="app.diagrams.net"><diagram name="roadmap"><mxGraphModel dx="1200" dy="800" grid="1" gridSize="10" guides="1" tooltips="1" connect="1" arrows="1" fold="1" page="1" pageScale="1" pageWidth="900" pageHeight="600" math="0" shadow="0">
  <root>
    <mxCell id="0" />
    <mxCell id="1" parent="0" />
    
    <mxCell id="node1" value="研究问题：底物固有反应性在酶促碳正离子环化中的角色" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#dae8fc;strokeColor=#6c8ebf;fontSize=14;fontStyle=1;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="402" y="40" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="node2" value="策略：综述+计算预测+同位素标记验证" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#d5e8d4;strokeColor=#82b366;fontSize=13;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="440" y="214" width="264" height="64" as="geometry" />
    </mxCell>
    <mxCell id="node3" value="关键改造：DFT计算底物固有反应性" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#ffe6cc;strokeColor=#d79b00;fontSize=13;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="40" y="388" width="243" height="64" as="geometry" />
    </mxCell>
    <mxCell id="node4" value="验证1：Trichodiene合酶路径优选(A→D→E, 8 kcal/mol)" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#f8cecc;strokeColor=#b85450;fontSize=12;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="763" y="388" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="node5" value="验证2：Pentalenene合酶H309A突变体(比例变化1.9倍)" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#f8cecc;strokeColor=#b85450;fontSize=12;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="353" y="388" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="node6" value="验证3-6：Corvol/α-isocemone/Amorphene/环辛二烯合酶(双1,2-氢迁移证据)" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#f8cecc;strokeColor=#b85450;fontSize=12;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="196" y="562" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="node7" value="核心发现：酶无需全程干预，底物固有反应性决定主要路径" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#e1d5e7;strokeColor=#9673a6;fontSize=13;fontStyle=1;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="606" y="562" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="node8" value="结论：量子化学计算可预测酶介入的必要区间" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#fff2cc;strokeColor=#d6b656;fontSize=14;fontStyle=1;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="418" y="736" width="306" height="64" as="geometry" />
    </mxCell>
    
    <mxCell id="edge1" edge="1" parent="1" source="node1" target="node2" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#6c8ebf;" />
    <mxCell id="edge2" edge="1" parent="1" source="node2" target="node3" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#82b366;" />
    <mxCell id="edge3" edge="1" parent="1" source="node3" target="node6" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#d79b00;" />
    <mxCell id="edge4" edge="1" parent="1" source="node2" target="node5" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#82b366;" />
    <mxCell id="edge5" edge="1" parent="1" source="node2" target="node4" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#82b366;" />
    <mxCell id="edge6" edge="1" parent="1" source="node4" target="node7" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#b85450;" />
    <mxCell id="edge7" edge="1" parent="1" source="node5" target="node7" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#b85450;" />
    <mxCell id="edge8" edge="1" parent="1" source="node6" target="node7" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=1;exitY=0.5;exitDx=0;exitDy=0;entryX=0;entryY=0.5;entryDx=0;entryDy=0;strokeColor=#b85450;" />
    <mxCell id="edge9" edge="1" parent="1" source="node7" target="node8" style="edgeStyle=orthogonalEdgeStyle;rounded=1;orthogonalLoop=1;jettySize=auto;html=1;endArrow=block;endFill=1;strokeWidth=1.6;exitX=0.5;exitY=1;exitDx=0;exitDy=0;entryX=0.5;entryY=0;entryDx=0;entryDy=0;strokeColor=#9673a6;" />
  </root>
</mxGraphModel></diagram></mxfile>