{"id":225845,"date":"2021-08-25T06:30:27","date_gmt":"2021-08-24T22:30:27","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=225845"},"modified":"2021-08-24T22:10:40","modified_gmt":"2021-08-24T14:10:40","slug":"%e6%97%a5%e6%9c%ac%e5%9b%a2%e9%98%9fsci-adv-%ef%bc%9a%e8%87%aa%e7%bb%84%e8%a3%85%e7%a6%bb%e5%ad%90%e6%b6%b2%e6%99%b6%e7%ba%b3%e7%b1%b3%e9%80%9a%e9%81%93%e4%b8%ad%e6%9d%9f%e7%bc%9a%e6%b0%b4%e7%9a%84","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=225845","title":{"rendered":"Sci. Adv.\uff1a\u81ea\u7ec4\u88c5\u79bb\u5b50\u6db2\u6676\u7eb3\u7c73\u901a\u9053\u4e2d\u675f\u7f1a\u6c34\u7684\u5206\u5b50\u7814\u7a76"},"content":{"rendered":"

\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n

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\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n

\u8fd1\u65e5\uff0c\u5728\u65e5\u672c<\/b><\/strong>\u5175\u5e93\u5927\u5b66<\/b><\/strong>\u3001<\/b><\/strong>\u4eac\u90fd\u5927\u5b66<\/b><\/strong>Hitoshi Washizu<\/b><\/strong>\u548c<\/b><\/strong>Yoshiki Ishii\u3001<\/b><\/strong>\u4e1c\u4eac\u5927\u5b66<\/b><\/strong>Takashi Kato<\/b><\/strong>\u56e2\u961f\u7b49\u4eba\u5e26\u9886\u4e0b\uff0c\u901a\u8fc7\u91c7\u7528\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u548c\u5206\u5b50\u52a8\u529b\u5b66\u76f8\u7ed3\u5408\u7684\u81ea\u6d3d\u6a21\u578b\u548c\u5927\u89c4\u6a21\u5206\u5b50\u52a8\u529b\u5b66\u8ba1\u7b97\uff0c\u62a5\u544a\u4e86\u6c34\u5206\u5b50\u5728\u7eb3\u7c73\u901a\u9053\u4e2d\u7684\u5177\u4f53\u884c\u4e3a\u3002\u6a21\u62df\u7ed3\u679c\u6e05\u695a\u5730\u63d0\u4f9b\u4e86\u4e00\u7ef4\uff081D\uff09\u548c\u4e09\u7ef4\uff083D\uff09\u76f8\u4e92\u8fde\u63a5\u7684\u81ea\u7ec4\u88c5\u67f1\u72b6\u548c\u53cc\u8fde\u7eed\u7ed3\u6784\u7eb3\u7c73\u901a\u9053\uff0c\u901a\u8fc7X\u5c04\u7ebf\u884d\u5c04\u6d4b\u91cf\u89c2\u5bdf\u5230\u7684\u7cbe\u786e\u4e2d\u5c3a\u5ea6\u3002\u7136\u540e\uff0c\u6c34\u5206\u5b50\u968f\u7740\u6c22\u952e\u7f51\u7edc\u7684\u5f62\u6210\u88ab\u9650\u5236\u5728\u7eb3\u7c73\u901a\u9053\u5185\u3002\u81ea\u7531\u80fd\u548c\u5404\u5411\u5f02\u6027\u6269\u6563\u7cfb\u6570\u7684\u5b9a\u91cf\u5206\u6790\u8868\u660e\uff0c1D\u7eb3\u7c73\u7574\u7684\u4e2d\u5c3a\u5ea6\u51e0\u4f55\u7ed3\u6784\u901a\u8fc7\u79bb\u5b50\u7eb3\u7c73\u901a\u9053\u5185\u7684\u6eb6\u89e3\u548c\u6269\u6563\u673a\u5236\uff0c\u6709\u5229\u4e8e\u6c34\u7684\u4f20\u8f93\u6027\u8d28\u3002\u8be5\u6210\u679c\u4ee5\u9898\u4e3a\u201cMolecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal\u201d<\/b><\/strong>\u53d1\u8868\u5728\u4e86Sci. Adv.<\/b><\/strong>\u4e0a\u3002<\/p>\n

\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n

\u56fe<\/strong>1 ILC\u7684\u5206\u5b50\u4fe1\u606f\u548cDFT\u8ba1\u7b97\u5f97\u5230\u7684\u7535\u8377\u5206\u5e03<\/strong>\"\"<\/p>\n

(A)\u5206\u5b50\u7ed3\u6784\uff1b(B)\u5316\u5408\u72691\u76843D\u5feb\u7167\uff1b(C)\u5468\u671f\u6027\u4e9a\u7eb3\u7c73\u901a\u9053\u7684\u521d\u59cb\u7ed3\u6784\u3002<\/p>\n

(D)\u4f7f\u7528MD\u548cDFT\u65b9\u6cd5\u5728\u81ea\u6d3d\u65b9\u6848\u4e2d\u6536\u655b\u5206\u5b50\u7535\u8377\u3002<\/p>\n

(E)\u5728\u6700\u7ec8\u8fed\u4ee3\u6b65\u9aa4\u4e2d\u9634\u79bb\u5b50\u3001\u9633\u79bb\u5b50\u548c\u9633\u79bb\u5b50\u5185\u539f\u5b50\u57fa\u56e2\u7684\u7535\u8377\u5206\u5e03\u3002<\/p>\n

\u56fe<\/strong>2 \u5229\u7528OPLS-DFT\u548cTIP3P\u8fdb\u884cMD\u8ba1\u7b97\uff0c\u83b7\u5f97\u7eb3\u7c73\u7ed3\u6784\u81ea\u7ec4\u88c5\u7684\u5feb\u7167\u53ca\u5176\u5b9a\u91cf\u4fe1\u606f<\/strong>\"\"<\/p>\n

(A,D)\u7531\u5b9e\u9a8c\u89c2\u5bdf\u548c(B, C, E\uff0c\u548cF)\u5f97\u5230\u7684\u81ea\u7ec4\u88c5\u53cc\u8fde\u7eed\u548c\u67f1\u72b6LC\u7ed3\u6784\u7684\u793a\u610f\u56fe\u3002(B)\u3001(C)\u3001(E)\u548c(F)\u5206\u522b\u5728\u53cc\u8fde\u7eed\u548c\u67f1\u72b6\u7ed3\u6784\u4e2d\u5f97\u5230\u3002<\/p>\n

(G,J) X\u5c04\u7ebf\u52a0\u6743\u603b\u7ed3\u6784\u56e0\u5b50\u3002<\/p>\n

(H,K)\u6c34\u5206\u5b50\u7a7a\u95f4\u5bc6\u5ea6\u5206\u5e03\u3002\u5206\u522b\u5728\u53cc\u8fde\u7eed\u548c\u67f1\u72b6\u7ed3\u6784\u4e2d\u8ba1\u7b97(G)\u3001(H)\u3001(J)\u548c(K)\u56fe\u3002(H,K)\u4e2d\u7684\u7a7a\u95f4\u5bc6\u5ea6\u5206\u5e03\u6cbf(C)\u548c(F)\u4e2d\u7684y\u8f74\u8ba1\u7b97\u3002<\/p>\n

(I)\u76f8\u5173\u957f\u5ea6\u548c(L)\u6c34\u901a\u8def\u5927\u5c0f\u5206\u522b\u7531\u603b\u7ed3\u6784\u56e0\u5b50\u7684FSDP\u548c\u6c34\u5206\u5b50\u7684\u90e8\u5206\u5bc6\u5ea6\u5206\u5e03\u5b9a\u4e49\u3002<\/p>\n

\u56fe<\/strong>3 <\/strong>\u5229<\/strong>\u7528OPLS-DFT\u548cTIP3P\u8fdb\u884cMD\u8ba1\u7b97<\/strong>\u5f97\u5230<\/strong>\u7eb3\u7c73\u901a\u9053\u5185\u7684\u77ed\u7a0b\u7ed3\u6784<\/strong>\"\"<\/p>\n

\u56fe<\/strong>4 \u901a\u8fc7OPLS-DFT\u548cTIP3P\u7684MD\u8ba1\u7b97\u5f97\u5230\u4e86\u7eb3\u7c73\u901a\u9053\u4e2d<\/strong>\u675f\u7f1a\u6c34<\/strong>\u7684\u6c22\u952e\u7ed3\u6784<\/strong>\"\"<\/p>\n

(A)\u6c34\u5206\u5b50\u4e0e\u5176\u4ed6\u6c34\u548c\u79bb\u5b50\u90e8\u5206\u7684\u6c22\u952e\u5e73\u5747\u6570\u3002<\/p>\n

(B)\u6c22\u952e\u6c34\u7c07\u7684\u6982\u7387\u3002<\/p>\n

(C)\u6c22\u952e\u6c34\u7c07\u7684\u5e73\u5747\u6570\u91cf\u3002<\/p>\n

\u56fe<\/strong>5<\/strong>\u00a0\u7528OPLS-DFT\u548cTIP3P\u8fdb\u884cMD\u8ba1\u7b97\u5f97\u5230\u7684\u7eb3\u7c73\u901a\u9053\u4e2d<\/strong>\u675f\u7f1a<\/strong>\u6c34\u7684\u6c22\u952e\u72b6\u6001\u548c\u81ea\u7531\u80fd\u5b66\u3002<\/strong>\"\"<\/p>\n

(A)\u6807\u8bb0\u6c34\u5206\u5b50\u7684\u6c22\u952e(HB)\u72b6\u6001\u5206\u6570\u548c(B) ILC\u4e2d\u7684\u6eb6\u8d28-\u6eb6\u5242\u52bf\u80fd\u3002\u6c22\u952e\u6001\u5206\u4e3a\u5b64\u7acb\u6001\u3001\u754c\u9762\u6001\u3001\u4f53\u79ef\u6001\u548c\u758f\u6c34\u6001\u56db\u79cd\u6a21\u5f0f\u3002<\/p>\n

(C)\u8ba1\u7b97\u6c34\u4ece\u7eaf\u6c34\u5230ILC\u4ecb\u8d28\u7684\u81ea\u7531\u80fd\u53d8\u5316\u7684\u70ed\u529b\u5b66\u5faa\u73af\u6982\u8ff0\u3002<\/p>\n

(D)\u6c34\u5206\u5b50\u5728ILC\u4e2d\u7684\u6eb6\u5242\u5316\u81ea\u7531\u80fd\u0394\u03bcin-ILC<\/sup>\u548c(E)\u7eaf\u6c34\u4ecb\u8d28\u4e0eILC\u4e4b\u95f4\u7684\u6eb6\u5242\u5316\u81ea\u7531\u80fd\u0394\u0394\u03bc\u7684\u53d8\u5316\u3002<\/p>\n

\u56fe<\/strong>6<\/strong>\u00a0\u901a\u8fc7MD\u8ba1\u7b97\u5f97\u5230\u4e86\u6c34\u548c\u79bb\u5b50\u7684\u8f93\u8fd0\u6027\u8d28\uff0c\u5e76\u5b9a\u91cf\u6bd4\u8f83\u4e86\u53cc\u8fde\u7eed\u548c\u67f1\u72b6\u7ed3\u6784\u4e4b\u95f4\u7684\u6269\u6563\u548c\u81ea\u7531\u80fd\u5206\u5e03<\/strong>\"\"<\/p>\n

(A)\u7528OPLS-DFT\u548cTIP3P\u8fdb\u884cMD\u8ba1\u7b97\u5f97\u5230\u7684\u94f5\u57fa\u9633\u79bb\u5b50\u3001BF4<\/sub>\u9634\u79bb\u5b50\u548c\u6c34\u5206\u5b50\u7684\u81ea\u6269\u6563\u7cfb\u6570\u548c(B)\u53cc\u8fde\u7eed\u548c\u67f1\u72b6\u7ed3\u6784\u7684\u79bb\u5b50\u7535\u5bfc\u7387\u3002<\/p>\n

(C,D)\u6bd4\u8f83\u6c34\u5206\u5b50\u5728\u53cc\u8fde\u7eed\u548c\u67f1\u72b6\u7ed3\u6784\u4e2d\u7684(C)\u6eb6\u5242\u5316\u81ea\u7531\u80fd\u53d8\u5316\u0394\u0394\u03bc (BIC)\u548c\u0394\u0394\u03bc (COL)\uff0c\u4ee5\u53ca(D)\u81ea\u6269\u6563\u7cfb\u6570\u3001Dw<\/sub>(BIC)\u548cDw<\/sub>||<\/sup>(COL)\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5<\/b><\/strong>\uff1aMolecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal<\/u><\/a>\uff08Sci. Adv.\uff0c2021\uff0cDOI\uff1a10.1126\/sciadv.abf0669\uff09<\/p>\n

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