<mxfile host="app.diagrams.net"><diagram name="roadmap"><mxGraphModel dx="1422" dy="794" grid="1" gridSize="10" guides="1" tooltips="1" connect="1" arrows="1" fold="1" page="1" pageScale="1" pageWidth="1600" pageHeight="900" math="0" shadow="0">
  <root>
    <mxCell id="0" />
    <mxCell id="1" parent="0" />
    
    <mxCell id="n1" value="研究问题：单萜异构化碳正离子重排难以选择性控制" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#dae8fc;strokeColor=#6c8ebf;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="245" y="40" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n2" value="核心策略：以鲨烯-藿烯环化酶AacSHC为模板进行改造" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#d5e8d4;strokeColor=#82b366;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="245" y="214" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n3" value="半理性单点突变筛选（L36A/W312A/Y609W）" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#d5e8d4;strokeColor=#82b366;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="269" y="388" width="292" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n4" value="迭代饱和突变定向进化（22c-trick）" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#d5e8d4;strokeColor=#82b366;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="286" y="562" width="257" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n5" value="关键改造：八重变体V10（A306W/W312G/G315I/F365W/Y420F/V448I/Y609M/Y612F）" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#fff2cc;strokeColor=#d6b656;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="245" y="736" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n6" value="关键发现：V10实现(+)-龙脑选择性90.2%，de 99.6%，催化效率大幅提升" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#fff2cc;strokeColor=#d6b656;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="245" y="910" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n7" value="机制解析：AlphaFold2建模、CAVER隧道分析、MD模拟与QM-metadynamics" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#f8cecc;strokeColor=#b85450;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="40" y="1084" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n8" value="结果：克级规模制备(+)-龙脑，产率84.3%，转化10 mM底物" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#f8cecc;strokeColor=#b85450;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="450" y="1084" width="340" height="64" as="geometry" />
    </mxCell>
    <mxCell id="n9" value="结论：无离去基团依赖的精准单萜异构化通用策略" style="rounded=1;whiteSpace=wrap;html=1;fillColor=#e1d5e7;strokeColor=#9673a6;fontSize=13;fontFamily=Microsoft YaHei;verticalAlign=middle;align=center;" vertex="1" parent="1">
      <mxGeometry x="248" y="1258" width="334" height="64" as="geometry" />
    </mxCell>

    <mxCell id="e1" edge="1" parent="1" source="n1" target="n2" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
    <mxCell id="e2" edge="1" parent="1" source="n2" target="n3" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
    <mxCell id="e3" edge="1" parent="1" source="n3" target="n4" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
    <mxCell id="e4" edge="1" parent="1" source="n4" target="n5" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
    <mxCell id="e5" edge="1" parent="1" source="n5" target="n6" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
    <mxCell id="e6" edge="1" parent="1" source="n6" target="n7" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
    <mxCell id="e7" edge="1" parent="1" source="n6" target="n8" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
    <mxCell id="e8" edge="1" parent="1" source="n8" target="n9" 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=#999999;">
      <mxGeometry relative="1" as="geometry" />
    </mxCell>
  </root>
</mxGraphModel></diagram></mxfile>