{"id":266385,"date":"2025-04-22T07:07:20","date_gmt":"2025-04-21T23:07:20","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=266385"},"modified":"2025-04-21T22:09:37","modified_gmt":"2025-04-21T14:09:37","slug":"j-am-chem-soc-%e6%b1%a4%e5%af%8c%e6%9d%b0%e7%a8%8b%e4%bf%8a%e5%9b%a2%e9%98%9f%e9%80%9a%e8%bf%87%e6%9c%ba%e5%99%a8%e5%ad%a6%e4%b9%a0%e6%a0%b8%e7%a3%81%e5%85%b1%e6%8c%af%e8%b0%b1%e6%8f%ad","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=266385","title":{"rendered":"J. Am. Chem. Soc. | \u6c64\u5bcc\u6770&#038;\u7a0b\u4fca\u56e2\u961f\u901a\u8fc7\u673a\u5668\u5b66\u4e60\u6838\u78c1\u5171\u632f\u8c31\u63ed\u793a\u7535\u89e3\u8d28\u52a8\u6001\u6eb6\u5242\u5316\u7ed3\u6784\u7684\u7ade\u4e89\u6548\u5e94"},"content":{"rendered":"<p>&nbsp;<\/p>\n<p>\u3010\u6587\u7ae0\u7b80\u4ecb\u3011<\/p>\n<p>\u8fd1\u65e5\uff0c\u53a6\u95e8\u5927\u5b66\u4e0e\u5609\u5e9a\u521b\u65b0\u5b9e\u9a8c\u5ba4\u5229\u7528\u673a\u5668\u5b66\u4e60\u8054\u7528\u65b9\u6cd5\uff0c\u5728\u8ba1\u7b97\u7535\u89e3\u6db2\u52a8\u6001\u6838\u78c1\u5171\u632f\uff08NMR\uff09\u8c31\u89e3\u6790\u9886\u57df\u53d6\u5f97\u91cd\u8981\u7a81\u7834\uff0c\u5b9e\u73b0\u4e86\u5bf9\u53cc\u6c1f\u78fa\u9170\u4e9a\u80fa\u9502\uff08LiFSI\uff09\/\u4e8c\u7532\u919a\uff08DME\uff09\u7535\u89e3\u6db2\u4e2d\u52a8\u6001\u7684\u2077Li\u6838\u78c1\u5171\u632f\u5316\u5b66\u4f4d\u79fb\u7684\u9884\u6d4b\u3002\u9884\u6d4b\u7ed3\u679c\u7cbe\u51c6\u63ed\u793a\u4e86\u2077Li\u6838\u78c1\u5171\u632f\u5316\u5b66\u4f4d\u79fb\u7684\u53cd\u8f6c\u73b0\u8c61\uff0c\u4e0e\u5b9e\u9a8c\u89c2\u6d4b\u7ed3\u679c\u543b\u5408\u3002\u8be5\u6210\u679c\u662f\u56e2\u961f\u7ee7\u7535\u6c60\u6b63\u6781\u6750\u6599\u52a8\u6001\u6838\u78c1\u8c31\u7814\u7a76\u548cNMRNet\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6\u4e4b\u540e\uff0c\u5728\u76f8\u5173\u9886\u57df\u7684\u53c8\u4e00\u6b21\u65b9\u6cd5\u8fed\u4ee3\u4e0e\u4f53\u7cfb\u5e94\u7528\u62d3\u5c55\uff0c\u76f8\u5173\u7814\u7a76\u6210\u679c\u5df2\u53d1\u8868\u4e8e\u9876\u7ea7\u5316\u5b66\u671f\u520a\u300aJournal of the American Chemical Society\u300b\u3002<\/p>\n<p>\u8be5\u9879\u7814\u7a76\u6210\u679c\u7684\u901a\u8baf\u4f5c\u8005\u4e3a\u53a6\u95e8\u5927\u5b66\u7a0b\u4fca\u6559\u6388\u548c\u6c64\u5bcc\u6770\u526f\u6559\u6388\uff0c\u53a6\u95e8\u5927\u5b66\u5316\u5b66\u5316\u5de5\u5b66\u96622023\u7ea7\u535a\u58eb\u7814\u7a76\u751f\u5c24\u797a\u548c\u535a\u58eb\u540e\u5b59\u5ca9\u4e3a\u5171\u540c\u7b2c\u4e00\u4f5c\u8005\uff0c\u5609\u5e9a\u521b\u65b0\u5b9e\u9a8c\u5ba4\u526f\u7814\u7a76\u5458\u738b\u950b\u5728\u7814\u7a76\u8fc7\u7a0b\u4e2d\u63d0\u4f9b\u4e86\u534f\u52a9\u3002\u8be5\u7814\u7a76\u5de5\u4f5c\u53d7\u5230\u56fd\u5bb6\u81ea\u7136\u79d1\u5b66\u57fa\u91d1\uff08\u8d44\u52a9\u53f7\uff1a22021001\u300122225302\u300121991151\u300121991150\u300192161113\uff09\u3001\u4e2d\u592e\u9ad8\u6821\u57fa\u7840\u7814\u7a76\u57fa\u91d1\uff08\u8d44\u52a9\u53f7\uff1a20720220009\uff09\u548c\u56fd\u5bb6\u91cd\u70b9\u7814\u53d1\u8ba1\u5212\uff08\u8d44\u52a9\u53f7\uff1a2024YFA1210804\uff09\u7684\u8d44\u91d1\u652f\u6301\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>\u3010\u7814\u7a76\u80cc\u666f\u3011<\/p>\n<p>\u6838\u78c1\u5171\u632f\uff08NMR\uff09\u8c31\u4f5c\u4e3a\u4e00\u79cd\u65e0\u635f\u4e14\u5bf9\u5c40\u57df\u7ed3\u6784\u654f\u611f\u7684\u8868\u5f81\u624b\u6bb5\uff0c\u9002\u5408\u7528\u4e8e\u6eb6\u5242\u5316\u7ed3\u6784\u4e2d\u7279\u5b9a\u539f\u5b50\u6838\u5316\u5b66\u73af\u5883\u7684\u8868\u5f81\u3002\u6b64\u5916\uff0c\u5b9e\u9a8cNMR\u8c31\u8fd8\u80fd\u63ed\u793a\u5f1b\u8c6b\u65f6\u95f4\u3001\u4ea4\u6362\u52a8\u529b\u5b66\u7b49\u4fe1\u606f\u3002\u7136\u800c\uff0c\u5c06\u89c2\u6d4b\u5230\u7684NMR\u8c31\u53d8\u5316\u4e0e\u5185\u5728\u5206\u5b50\u7ed3\u6784\u53d8\u5316\u8054\u7cfb\u8d77\u6765\u662f\u4e00\u9879\u6781\u5177\u6311\u6218\u6027\u7684\u4efb\u52a1\u3002\u4e00\u4e9b\u91c7\u7528\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8ba1\u7b97\u7684\u7814\u7a76\uff0c\u901a\u8fc7\u590d\u6742\u7684\u91c7\u6837\u65b9\u6cd5\u8fdb\u884c\u56e2\u7c07\u63d0\u53d6\uff0c\u80fd\u591f\u4e3a\u7535\u89e3\u8d28NMR\u8c31\u7684\u53d8\u5316\u8d8b\u52bf\u63d0\u4f9b\u6709\u9650\u4fe1\u606f\u3002\u5df2\u6709\u8bb8\u591a\u9759\u6001\u8ba1\u7b97\u5c1d\u8bd5\u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u65b9\u6cd5\u8ba1\u7b97\u00b9H\u3001\u2077Li\u3001\u00b9\u2077O\u3001\u00b2\u2075Mg\u3001\u2074\u00b3Ca\u3001\u2076\u2077Zn NMR\u8c31\u6765\u89e3\u91ca\u7ed3\u6784-\u5149\u8c31\u5173\u7cfb\u3002\u5c3d\u7ba1\u5982\u6b64\uff0c\u5b9e\u9a8c\u5316\u5b66\u4f4d\u79fb\u53cd\u6620\u7684\u662f\u6765\u81ea\u4e0d\u540c\u5c40\u57df\u4f4d\u70b9\u7684\u52a0\u6743\u5e73\u5747\uff0c\u878d\u5408\u4e86\u5c40\u57df\u7ed3\u6784\u548c\u52a8\u529b\u5b66\u4fe1\u606f\uff0c\u8fd9\u79cd\u7edf\u8ba1\u5e73\u5747\u4f7f\u5f97\u4fe1\u53f7\u5206\u8fa8\u53d8\u5f97\u590d\u6742\uff0c\u4e5f\u52a0\u5927\u4e86\u89e3\u6790\u8c31\u6784\u5173\u7cfb\u7684\u96be\u5ea6\u3002<\/p>\n<p>\u5206\u5b50\u52a8\u529b\u5b66\uff08MD\uff09\u6a21\u62df\u80fd\u591f\u501f\u52a9\u7ecf\u5178\u529b\u573a\u65b9\u6cd5\u3001\u7b2c\u4e00\u6027\u539f\u7406\u65b9\u6cd5\u4ee5\u53ca\u673a\u5668\u5b66\u4e60\u65b9\u6cd5\u6765\u6355\u6349\u5404\u7c7b\u7535\u89e3\u8d28\u4e2d\u7684\u52a8\u6001\u7ed3\u6784\u53d8\u5316\u3002\u4f46\u7531\u4e8e\u4eceMD\u6a21\u62df\u6784\u578b\u4e2d\u83b7\u53d6\u5355\u4e00\u5149\u8c31\u54cd\u5e94\u7684\u8ba1\u7b97\u6210\u672c\u9ad8\u6602\uff0c\u4e14\u5728\u590d\u6742\u7535\u89e3\u8d28\u4f53\u7cfb\u4e2d\u8fd0\u7528NMR-DFT\u8ba1\u7b97\u65f6\u6784\u578b\u91c7\u6837\u7684\u9009\u62e9\u8fc7\u4e8e\u590d\u6742\u96be\u4ee5\u5b9e\u65bd\uff0c\u56e0\u6b64\u5c06\u5206\u5b50\u7ed3\u6784\u4e0e\u5b9e\u9a8c\u5149\u8c31\u89c2\u6d4b\u503c\u76f4\u63a5\u8054\u7cfb\u8d77\u6765\u4ecd\u9887\u5177\u6311\u6218\u3002\u4e0d\u8fc7\uff0c\u5df2\u6709\u7814\u7a76\u5c1d\u8bd5\u901a\u8fc7\u5bf9\u56fa\u6001\u7ed3\u6784\u7684\u7ed3\u6784\u63cf\u8ff0\u7b26\u53ca\u5176\u76f8\u5e94 NMR\u5316\u5b66\u4f4d\u79fb\u8fdb\u884c\u8bad\u7ec3\uff0c\u4f7f\u673a\u5668\u5b66\u4e60\u6a21\u578b\u5728\u4fdd\u6301\u9ad8\u7cbe\u5ea6\u7684\u540c\u65f6\u63d0\u9ad8\u5316\u5b66\u4f4d\u79fb\u9884\u6d4b\u901f\u5ea6\u3002\u76ee\u524d\uff0c\u5173\u4e8e\u7535\u89e3\u8d28\u52a8\u6001\u7ed3\u6784\u7279\u5f81\u4e0e\u5176\u5b9e\u9a8c\u5149\u8c31\u89c2\u6d4b\u503c\u4e4b\u95f4\u7684\u5173\u7cfb\u5c1a\u672a\u8fbe\u6210\u660e\u786e\u5171\u8bc6\uff0c\u56e0\u6b64\u4e00\u79cd\u5f3a\u5927\u7684\u8ba1\u7b97\u65b9\u6cd5\u81f3\u5173\u91cd\u8981\u3002\u6b64\u5916\uff0c\u9a8c\u8bc1\u6a21\u62df\u7ed3\u679c\u5e76\u5c06\u5176\u4e0e\u5b9e\u9a8c\u89c2\u6d4b\u7ed3\u679c\u76f8\u5173\u8054\u6781\u5177\u6311\u6218\uff0c\u4f46\u5374\u662f\u8861\u91cf\u6a21\u62df\u53ef\u9760\u6027\u7684\u91cd\u8981\u57fa\u51c6\u3002<\/p>\n<p>\u3010\u7814\u7a76\u5185\u5bb9\u3011<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-266386\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72471-35.png\" alt=\"\" width=\"1159\" height=\"625\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72471-35.png 1159w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72471-35-300x162.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72471-35-768x414.png 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72471-35-1024x552.png 1024w\" sizes=\"(max-width: 1159px) 100vw, 1159px\" \/>\u00a0\u00a0<\/p>\n<p><strong><b>\u56fe1: <\/b><\/strong><strong><b>\u9884\u6d4b\u6838\u78c1\u5171\u632f\uff08NMR\uff09\u8c31\u7684<\/b><\/strong><strong><b>\u6d41\u7a0b<\/b><\/strong><strong><b>\u3002\uff08\u5de6\uff09\u8bad\u7ec3\u795e\u7ecf\u7f51\u7edc\uff08NN\uff09\u6a21\u578b\u7684\u65b9\u6cd5\u3002<\/b><\/strong><strong><b>\u6355\u6349<\/b><\/strong><strong><b>\u4e0d\u540c\u6d53\u5ea6\u4e0b\u7684\u5404\u79cd\u7ed3\u6784\uff0c\u5e76\u63d0\u53d6<\/b><\/strong><strong><b>Li<\/b><\/strong><strong><b>\u207a<\/b><\/strong><strong><b>\u7684\u6eb6\u5242\u5316\u7ed3\u6784<\/b><\/strong><strong><b>\u3002\u968f\u540e\uff0c\u4f7f\u7528\u63cf\u8ff0\u7b26\u5bf9\u7ed3\u6784\u8fdb\u884c\u7f16\u7801\uff0c\u5e76\u8ba1\u7b97\u5176\u76f8\u5e94\u7684\u5316\u5b66\u4f4d\u79fb\u3002\uff08\u53f3\uff09<\/b><\/strong><strong><b>NMR\u8c31<\/b><\/strong><strong><b>\u9884\u6d4b<\/b><\/strong><strong><b>\u6d41\u7a0b<\/b><\/strong><strong><b>\u3002\u4f7f\u7528\u673a\u5668\u5b66\u4e60\u5206\u5b50\u52a8\u529b\u5b66\uff08MLMD\uff09\u6a21\u62df\u751f\u6210\u8f68\u8ff9\uff0c\u7136\u540e\u5229\u7528\u6240\u5f97\u5230\u7684\u6838\u78c1\u5171\u632f\u9884\u6d4b\u795e\u7ecf\u7f51\u7edc\u6a21\u578b\u6765\u83b7\u53d6\u6838\u78c1\u5171\u632f\u5149\u8c31\u3002<\/b><\/strong><\/p>\n<p>\u9884\u6d4b\u6838\u78c1\u5171\u632f\uff08NMR\uff09\u8c31\u7684\u6d41\u7a0b\u5982\u56fe1\u6240\u793a\u3002\u6784\u5efa\u795e\u7ecf\u7f51\u7edc\uff08NN\uff09\u6a21\u578b\u65f6\uff0c\u6211\u4eec\u5148\u4eceMLMD\u8f68\u8ff9\u4e2d\u7a00\u758f\u91c7\u6837\u6784\u578b\uff0c\u63d0\u53d6\u9502\u79bb\u5b50\u5468\u56f4\u7684\u7b2c\u4e00\u6eb6\u5242\u5316\u5c42\uff0c\u5c06\u5176\u4f5c\u4e3a\u56e2\u7c07\u5e76\u52a0\u4ee5\u6807\u8bb0\uff0c\u5e76\u8fd0\u7528LMBTR\u63cf\u8ff0\u7b26\u5bf9\u7ed3\u6784\u8fdb\u884c\u7f16\u7801\uff0c\u8fdb\u800c\u5f97\u5230\u4e00\u4e2a\u57fa\u4e8e\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u7684\u6570\u636e\u96c6\uff0c\u5176\u4e2d\u5305\u542b\u7ea628000\u4e2a\u2077Li\u5316\u5b66\u4f4d\u79fb\u6570\u636e\u3002\u968f\u540e\uff0c\u6211\u4eec\u5229\u7528LiFSI\/DME\u6eb6\u6db2\u5bf9\u57fa\u4e8e\u795e\u7ecf\u7f51\u7edc\u7684\u6838\u78c1\u5171\u632f\u8c31\u6a21\u578b\u5c55\u5f00\u9a8c\u8bc1\uff0c\u6d4b\u8bd5\u96c6\u4e2d\u2077Li\u5404\u5411\u540c\u6027\u503c\u7684\u5747\u65b9\u6839\u8bef\u5dee\u7ea6\u4e3a0.13 ppm\u3002\u83b7\u5f97\u795e\u7ecf\u7f51\u7edc\u6a21\u578b\u540e\uff0c\u6211\u4eec\u5bf9\u56db\u4e2a\u6d53\u5ea6\u4e0bLiFSI\/DME\u6eb6\u6db2\u7684\u673a\u5668\u5b66\u4e60\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u5f97\u5230\u7684\u8f68\u8ff9\u9884\u6d4b\u6838\u78c1\u5171\u632f\u8c31\u3002\u6211\u4eec\u5bf9\u56db\u4e2a\u6d53\u5ea6\u4e0b\u7684\u8f68\u8ff9\u8fdb\u884c\u7b49\u95f4\u9694\u62bd\u53d6\uff0c\u786e\u4fdd\u6bcf\u79cd\u6d53\u5ea6\u4e0b\u9502\u79bb\u5b50\u6570\u91cf\u7ea6\u4e3a90000\u4e2a\uff0c\u968f\u540e\u7531LMBTR\u63cf\u8ff0\u7b26\u7f16\u7801Li\u207a\u7684\u6eb6\u5242\u5316\u7ed3\u6784\uff0c\u4f5c\u4e3a\u795e\u7ecf\u7f51\u7edc\u6a21\u578b\u7684\u8f93\u5165\u6765\u9884\u6d4b\u6838\u78c1\u5171\u632f\u5316\u5b66\u4f4d\u79fb\uff0c\u9884\u6d4b\u7ed3\u679c\u5982\u56fe2b\u6240\u793a\uff0c\u5176\u4e0e\u5b9e\u9a8c\u7ed3\u679c\uff08\u56fe2a\uff09\u5728\u4e0d\u540c\u6d53\u5ea6\u7535\u89e3\u6db2\u4e2d\u7684\u53d8\u5316\u8d8b\u52bf\u76f8\u4f3c\uff0c\u57284 M\u6d53\u5ea6\u65f6\u5747\u51fa\u73b0\u4e86\u2077Li\u5316\u5b66\u4f4d\u79fb\u7684\u53cd\u8f6c\u73b0\u8c61\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-266387\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72472-35.png\" alt=\"\" width=\"805\" height=\"426\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72472-35.png 805w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72472-35-300x159.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72472-35-768x406.png 768w\" sizes=\"(max-width: 805px) 100vw, 805px\" \/><\/p>\n<p><strong><b>\u56fe2: NMR\u8c31\u9884\u6d4b\u7ed3\u679c\u4e0e\u5b9e\u9a8c\u7ed3\u679c<\/b><\/strong><strong><b>\u7684\u5bf9\u6bd4\u3002<\/b><\/strong><strong><b>1 M\u52304 M LiFSI\/DME\u6eb6\u6db2\u7684<\/b><\/strong><strong><b>\uff08a\uff09<\/b><\/strong><strong><b>\u00a0\u5b9e\u9a8cNMR\u8c31<\/b><\/strong><strong><b>\u3002\uff08b\uff09<\/b><\/strong><strong><b>\u00a0\u795e\u7ecf\u7f51\u7edc\u9884\u6d4b\u7684NMR<\/b><\/strong><strong><b>\u8c31\u3002\u7ea2\u8272\u66f2\u7ebf\u7528\u4e8e\u76f4\u89c2\u5c55\u793a<\/b><\/strong><strong><b>NMR\u8c31<\/b><\/strong><strong><b>\u968f\u7740\u6d53\u5ea6\u589e\u52a0\u7684\u53d8\u5316\u8d8b\u52bf\u3002<\/b><\/strong><\/p>\n<p>\u4e3a\u63ed\u793a\u8c31\u6784\u5173\u7cfb\uff0c\u6df1\u5165\u89e3\u6790\u56e0\u6d53\u5ea6\u53d8\u5316\u5bfc\u81f4NMR\u8c31\u4f4d\u79fb\u53d8\u5316\u80cc\u540e\u5185\u5728\u7684\u5206\u5b50\u7ed3\u6784\u6f14\u53d8\u673a\u5236\u548c\u76f8\u4e92\u4f5c\u7528\u89c4\u5f8b\uff0c\u6211\u4eec\u91c7\u7528\u4e86\u65e0\u76d1\u7763\u4e3b\u6210\u5206\u5206\u6790\uff08PCA\uff09\u5bf9\u9502\u79bb\u5b50\u7684\u5c40\u57df\u7ed3\u6784\u7684\u63cf\u8ff0\u7b26\u8fdb\u884c\u964d\u7ef4\u5904\u7406\uff0c\u7ed3\u679c\u5982\u56fe3a\u6240\u793a\u3002\u6211\u4eec\u53d1\u73b0\u4e3b\u6210\u5206PC#1\u53cd\u6620\u4e86\u6eb6\u5242\u5316\u7ed3\u6784\u7684\u5bf9\u79f0\u6027\u4ee5\u53caLi\u207a\u5468\u56f4\u5206\u5b50\u7684\u53d6\u5411\u53d8\u5316\uff1b\u800c\u4e3b\u6210\u5206PC#2\u5219\u6355\u6349\u5230\u4e86Li\u207a\u5468\u56f4\u7684\u5c40\u57df\u73af\u5883\u4fe1\u606f\u3002\u5316\u5b66\u4f4d\u79fb\u503c\u6700\u5927\u7684\u533a\u57df\uff08\u7ea2\u8272\uff09\u4e0e\u6eb6\u5242\u5206\u79bb\u79bb\u5b50\u5bf9\uff08SSIPs\uff0c\u6b64\u65f6\u6eb6\u5242\u58f3\u5c42\u5185\u7684FSI\u207b\u6570\u91cfn<sub>FSI<\/sub><sub>\u207b<\/sub>=0\uff09\u76f8\u5173\uff1b\u9ec4\u8272\u533a\u57df\u5bf9\u5e94\u63a5\u89e6\u79bb\u5b50\u5bf9\uff08CIPs\uff0cn<sub>FSI<\/sub><sub>\u207b<\/sub>=1\uff09\uff1b\u7eff\u8272\u533a\u57df\u4e0e\u805a\u96c6\u4f53\uff08AGGs\uff0cn<sub>FSI<\/sub><sub>\u207b<\/sub>=2\u6216n<sub>FSI<\/sub><sub>\u207b<\/sub>=3\uff09\u76f8\u5173\u8054\uff1b\u800c\u5316\u5b66\u4f4d\u79fb\u503c\u6700\u5c0f\u7684\u60c5\u51b5\uff0c\u51fa\u73b0\u5728AGGs\u548cAGGs+\u4e2d\uff0c\u6b64\u65f6n<sub>FSI<\/sub><sub>\u207b<\/sub>\u22653\u3002\u8fd9\u4e00\u53d1\u73b0\u7b26\u5408\u5316\u5b66\u76f4\u89c9\uff0c\u4e5f\u5c55\u73b0\u4e86\u4e3b\u6210\u5206\u5206\u6790\u65b9\u6cd5\u80fd\u591f\u6709\u6548\u5730\u6355\u6349\u5c40\u90e8\u73af\u5883\u53d8\u5316\u5bf9\u5468\u56f4\u7535\u5b50\u5bc6\u5ea6\u7684\u5f71\u54cd\u3002\u56fe3b\u63ed\u793a\u4e86\u6d53\u5ea6\u4ece3 M\u52304\u00a0M\u65f6\uff0c\u5360\u4e3b\u5bfc\u7684\u4e2d\u7b49\uff08\u9ec4\u8272\uff09\u548c\u8f83\u9ad8\uff08\u7eff\u8272\uff09NMR\u503c\uff08\u7edd\u5bf9\u503c\uff09\u7684\u7ed3\u6784\uff0c\u524d\u8005\u5360\u6bd4\u4e0a\u5347\uff0c\u540e\u8005\u6bd4\u4f8b\u4e0b\u964d\u3002\u63a8\u6d4bCIP\uff08\u9ec4\u8272\uff09\u7ed3\u6784\u5360\u6bd4\u4e0a\u5347\uff0c\u662f\u56e0Li\u207a-Li\u207a\u76f8\u4e92\u4f5c\u7528\u4fc3\u4f7f\u9ad8\u5ea6\u5c40\u57df\u5316\u7684AGGs+\u7ed3\u6784\u51fa\u73b0\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-266388\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72473-33.png\" alt=\"\" width=\"846\" height=\"553\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72473-33.png 846w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72473-33-300x196.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72473-33-768x502.png 768w\" sizes=\"(max-width: 846px) 100vw, 846px\" \/><\/p>\n<p><strong><b>\u56fe3: <\/b><\/strong><strong><b>(a)<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>\u5bf9\u4e0d\u540c\u6d53\u5ea6\u4e0b\u9502\u79bb\u5b50<\/b><\/strong><strong><b>Li<\/b><\/strong><strong><b>\u207a<\/b><\/strong><strong><b>\u6eb6\u5242\u5316\u7ed3\u6784\u6a21\u5f0f\u7684\u4e3b\u6210\u5206\u5206\u6790\uff08PCA\uff09\u3002\u6bcf\u4e2a\u70b9<\/b><\/strong><strong><b>\u7684<\/b><\/strong><strong><b>\u989c\u8272\u7f16\u7801\u4ee3\u8868\u76f8\u5e94\u7684\u6838\u78c1\u5171\u632f\u5316\u5b66\u4f4d\u79fb\u503c<\/b><\/strong><strong><b>\u3002x<\/b><\/strong><strong><b>\u8f74\u548c<\/b><\/strong><strong><b>y<\/b><\/strong><strong><b>\u8f74\u8868\u793a\u4e24\u4e2a\u6700\u91cd\u8981\u7684\u4e3b\u6210\u5206<\/b><\/strong><strong><b>PC#1\u548cPC#2<\/b><\/strong><strong><b>\u3002\u4ee3\u8868\u6027\u7247\u6bb5\u7684\u989c\u8272\u6807\u8bb0\u5982\u4e0b\uff1a\u7ea2\u8272\u4ee3\u8868\u6eb6\u5242\u5206\u79bb\u79bb\u5b50\u5bf9\uff08SSIP\uff09\uff0c\u9ec4\u8272\u4ee3\u8868\u63a5\u89e6\u79bb\u5b50\u5bf9\uff08CIP\uff09\uff0c\u7eff\u8272\u4ee3\u8868\u805a\u96c6\u4f53\uff08AGGs\uff09\uff0c\u84dd\u8272\u4ee3\u8868<\/b><\/strong><strong><b>FSI<\/b><\/strong><strong><b>\u207b<\/b><\/strong><strong><b>\u9634\u79bb\u5b50\u6570\u91cf<\/b><\/strong><strong><b>n<\/b><\/strong><strong><sub><b>FSI<\/b><\/sub><\/strong><strong><sub><b>\u207b<\/b><\/sub><\/strong><strong><b>=<\/b><\/strong><strong><b>3<\/b><\/strong><strong><b>\u7684<\/b><\/strong><strong><b>AGG<\/b><\/strong><strong><b>\u4ee5\u53ca<\/b><\/strong><strong><b>n<\/b><\/strong><strong><sub><b>FSI<\/b><\/sub><\/strong><strong><sub><b>\u207b<\/b><\/sub><\/strong><strong><b>&gt;3\u7684<\/b><\/strong><strong><b>AGGs+\u3002(b)<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>\u4e0d\u540c\u989c\u8272<\/b><\/strong><strong><b>\u7684<\/b><\/strong><strong><b>\u4ee3\u8868\u6027<\/b><\/strong><strong><b>\u6eb6\u5242\u5316\u7ed3\u6784<\/b><\/strong><strong><b>\u6bd4\u4f8b<\/b><\/strong><strong><b>\u968f<\/b><\/strong><strong><b>LiFSI\u6d53\u5ea6<\/b><\/strong><strong><b>\u7684\u53d8<\/b><\/strong><strong><b>\u5316\u60c5\u51b5\u3002<\/b><\/strong><\/p>\n<p>\u8fdb\u4e00\u6b65\u6765\u770b\uff0c\u4e3b\u6210\u5206\u5206\u6790\uff08PCA\uff09\u7684\u7ed3\u679c\u5f97\u5230\u4e86n<sub>FSI<\/sub><sub>\u207b<\/sub>\u548cLSI\uff08\u5c40\u57df\u7ed3\u6784\u6307\u6570\uff0c\u8868\u5f81Li\u207a\u5468\u56f4\u7684\u6c27\u539f\u5b50\u5f84\u5411\u8ddd\u79bb\u5206\u5e03\u7684\u4e0d\u5747\u5300\u6027\uff09\u7b49\u5c40\u57df\u7ed3\u6784\u53c2\u6570\u7684\u652f\u6301\u3002\u56fe4a\u5c55\u793a\u4e86\u6838\u78c1\u5171\u632f\u5316\u5b66\u4f4d\u79fb\u503c\u968f\u5404\u79cdLSI\u503c\u7684\u53d8\u5316\u60c5\u51b5\uff0c\u989c\u8272\u6839\u636en<sub>FSI<\/sub><sub>\u207b<\/sub>\u6765\u533a\u5206\u3002\u5904\u4e8e\u8f83\u9ad8n<sub>FSI<\/sub><sub>\u207b<\/sub>\u6eb6\u5242\u5316\u73af\u5883\u4e2d\u7684Li\u207a\uff0c\u5176\u5316\u5b66\u4f4d\u79fb\u5f80\u5f80\u5411\u9ad8\u573a\u65b9\u5411\u79fb\u52a8\uff0c\u53cd\u4e4b\u4ea6\u7136\uff0c\u8fd9\u4e3aPCA\u4e2d\u6eb6\u5242\u5316\u7ed3\u6784\u7684\u533a\u57df\u5212\u5206\u63d0\u4f9b\u4e86\u4f9d\u636e\u3002\u6b64\u5916\uff0c\u6211\u4eec\u5c06LSI\u5212\u5206\u4e3a\u4e09\u4e2a\u8303\u56f4\uff0c\u5e76\u8ba1\u7b97\u4e86\u76f8\u5e94\u7684\u5e73\u5747\u5316\u5b66\u4f4d\u79fb\uff0c\u5176\u76f4\u65b9\u56fe\u89c1\u56fe4b\uff0c\u8fd9\u8868\u660e\u8f83\u5c0f\u7684LSI\u8303\u56f4\u4e3b\u8981\u5bf9\u5e94\u8f83\u4f4e\u7684\u5316\u5b66\u4f4d\u79fb\u8303\u56f4\u3002\u968f\u7740\u5316\u5b66\u4f4d\u79fb\u503c\u51cf\u5c0f\uff0cLSI\u503c\u964d\u4f4e\uff0c\u8fd9\u79cd\u8d8b\u52bf\u5728\u56db\u79cd\u6d53\u5ea6\u4e0b\u4e00\u81f4\u3002\u9020\u6210\u8fd9\u4e00\u73b0\u8c61\u7684\u539f\u56e0\u5728\u4e8e\uff0c\u5f53\u914d\u4f4d\u6570\u8fbe\u5230\u8f83\u9ad8\u6c34\u5e73n<sub>FSI<\/sub><sub>\u207b<\/sub>\u22654\u7684\u6784\u578b\u503e\u5411\u4e8e\u5f62\u6210\u586b\u6ee1\u4e9a\u95f4\u9699\u7ed3\u6784\u7684\u957f\u94fe\u7c07\u96c6\u3002\u4e0e\u6b64\u540c\u65f6\uff0c\u57284 M\u6d53\u5ea6\u4e0b\uff0c\u914d\u4f4d\u6570\u4e3an<sub>FSI<\/sub><sub>\u207b<\/sub>=0\u62161\u7684\u6eb6\u5242\u5316\u7ed3\u6784\uff08\u84dd\u8272\u533a\u57df\uff09\u4f34\u968f\u7740n<sub>FSI<\/sub><sub>\u207b<\/sub>\u22654\u7684\u6eb6\u5242\u5316\u7ed3\u6784\u51fa\u73b0\uff0c\u59824d\u4e0ee\u6240\u793a\uff0c\u8fd9\u4e9b\u7ed3\u6784\u56f4\u7ed5\u7740AGGs+\u7c7b\u578b\u7684\u805a\u96c6\u4f53\u5206\u5e03\uff0c\u4ece\u800c\u4f7f\u6574\u4f53LSI\u503c\u76f8\u8f83\u4e8e3 M\u6d53\u5ea6\u66f4\u4f4e\u3002\u6b64\u5916\uff0c\u6211\u4eec\u5bf91\u00a0M\u81f34\u00a0M\u6d53\u5ea6\u8303\u56f4\u5185\u7684\u4e00\u4e9b\u6eb6\u5242\u5316\u7ed3\u6784\u8fdb\u884c\u7814\u7a76\uff0c\u4ee5\u91cf\u5316\u9502\u539f\u5b50\u6838\u7684\u7535\u5b50\u5b9a\u57df\u51fd\u6570\uff08ELF\uff09\u7684\u5f62\u53d8\u56e0\u5b50<em><i>\u0278<\/i><\/em>\uff0c1-4 M\u6d53\u5ea6\u4e0b\u7684\u5e73\u5747\u503c\u5206\u522b\u7ea6\u4e3a1.0130\u00b10.0002\u30011.0128\u00b10.0002\u30011.0127\u00b10.0001\u548c1.0130\u00b10.0001\uff0c\u56fe4c\u5c55\u793a\u4e86ELF\u5f62\u53d8\u7a0b\u5ea6\u53d8\u5316\u7684\u793a\u610f\u56fe\u3002\u5982\u56fe\u6240\u793a\uff0c\u968f\u7740\u5f62\u53d8\u56e0\u5b50\u589e\u52a0\uff0cELF\u5f62\u53d8\u66f4\u52a0\u660e\u663e\u3002\u5f53\u53d8\u5f62\u66f4\u663e\u8457\u65f6\uff0c\u9502\u539f\u5b50\u6838\u5468\u56f4\u7684\u7535\u5b50\u5c4f\u853d\u51cf\u5f31\uff0c\u5bfc\u81f4\u5316\u5b66\u4f4d\u79fb\u5411\u4f4e\u573a\u79fb\u52a8\u3002\u56e0\u6b64\uff0c\u5e73\u5747\u5f62\u53d8\u56e0\u5b50\u4ece1\u00a0M\u52303\u00a0M\u4e0b\u964d\uff0c\u4ece3\u00a0M\u52304\u00a0M\u4e0a\u5347\uff0c\u8fd9\u4e0e\u6838\u78c1\u5171\u632f\u5316\u5b66\u4f4d\u79fb\u5148\u5411\u9ad8\u573a\u79fb\u52a8\u3001\u518d\u5411\u4f4e\u573a\u79fb\u52a8\u7684\u60c5\u51b5\u4e00\u81f4\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-266389\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72474-30.png\" alt=\"\" width=\"1167\" height=\"565\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72474-30.png 1167w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72474-30-300x145.png 300w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72474-30-768x372.png 768w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2025\/04\/\u56fe\u72474-30-1024x496.png 1024w\" sizes=\"(max-width: 1167px) 100vw, 1167px\" \/><\/p>\n<p><strong><b>\u56fe4: <\/b><\/strong><strong><b>(a) \u6bcf\u79cd\u6d53\u5ea6\u4e0b<\/b><\/strong><strong><b>\u5c40\u57df<\/b><\/strong><strong><b>\u7ed3\u6784\u6307\u6570<\/b><\/strong><strong><b>\uff08<\/b><\/strong><strong><b>LSI<\/b><\/strong><strong><b>\uff09<\/b><\/strong><strong><b>\u4e0e\u5316\u5b66\u4f4d\u79fb\u503c\u4e4b\u95f4\u7684\u76f8\u5173\u56fe\u3002<\/b><\/strong><strong><b>\u5404\u70b9\u7684\u989c\u8272\u4e0e<\/b><\/strong><strong><b>n<\/b><\/strong><strong><sub><b>FSI<\/b><\/sub><\/strong><strong><sub><b>\u207b<\/b><\/sub><\/strong><strong><b>\u7684\u503c\u76f8\u5339\u914d\u3002<\/b><\/strong><strong><b>(b)<\/b><\/strong><strong><b>\u00a0\u4e0d\u540c<\/b><\/strong><strong><b>LSI\u8303\u56f4<\/b><\/strong><strong><b>\u5bf9\u5e94\u7684\u5316<\/b><\/strong><strong><b>\u5b66\u4f4d\u79fb\u76f4\u65b9\u56fe\uff0c\u7ea2\u8272\u3001\u7d2b\u8272\u548c\u84dd\u8272\u865a\u7ebf\u5206\u522b\u8868\u793a\u5bf9\u5e94\u4e8eLSI\u8303\u56f4\u4e3a<\/b><\/strong><strong><b>0.1 \u00c5\u00b2<\/b><\/strong><strong><b>\u3001<\/b><\/strong><strong><b>0.1~0.2 \u00c5\u00b2\u548c0.2~0.8 \u00c5\u00b2<\/b><\/strong><strong><b>\u7684\u5e73\u5747\u5316\u5b66\u4f4d\u79fb\u3002(c) \u56f4\u7ed5\u9502\u539f\u5b50\u6838\uff08\u7c89\u7ea2\u8272\u7403\u4f53\uff09\u5177\u6709\u4e0d\u540c<\/b><\/strong><strong><b>\u5f62\u53d8<\/b><\/strong><strong><b>\u56e0\u5b50<\/b><\/strong><strong><em><b><i>\u0278<\/i><\/b><\/em><\/strong><strong><b>\u7684\u7535\u5b50<\/b><\/strong><strong><b>\u5c40\u57df\u51fd<\/b><\/strong><strong><b>\u6570\uff08\u84dd\u8272\uff09\u7684<\/b><\/strong><strong><b>\u793a\u610f\u56fe<\/b><\/strong><strong><b>\u3002(d)<\/b><\/strong><strong><b>,<\/b><\/strong><strong><b>\u00a0(e) Li<\/b><\/strong><strong><b>\u207a<\/b><\/strong><strong><b>\u4e0eFSI<\/b><\/strong><strong><b>\u207b<\/b><\/strong><strong><b>\u957f\u94fe\u56e2\u7c07\u7684\u793a\u610f\u56fe<\/b><\/strong><strong><b>\uff0c<\/b><\/strong><strong><b>\u5143\u7d20\u7684\u989c\u8272\u6807\u8bb0\u5982\u4e0b\uff1a\u9502\uff08Li\uff09\u4e3a\u7c89\u7ea2\u8272\uff0c\u78b3\uff08C\uff09\u4e3a\u7070\u8272\uff0c\u6c22\uff08H\uff09\u4e3a\u767d\u8272\uff0c\u6c27\uff08O\uff09\u4e3a\u7ea2\u8272\uff0c\u786b\uff08S\uff09\u4e3a\u9ec4\u8272\uff0c\u6c2e\uff08N\uff09\u4e3a\u84dd\u8272\uff0c\u6c1f\uff08F\uff09\u4e3a\u7eff\u8272\u3002<\/b><\/strong><\/p>\n<p>&nbsp;<\/p>\n<p>\u3010\u603b\u7ed3\u4e0e\u5c55\u671b\u3011<\/p>\n<p>\u8be5\u9879\u5de5\u4f5c\u63d0\u51fa\u4e00\u79cd\u57fa\u4e8e\u673a\u5668\u5b66\u4e60\u7684\u65b9\u6cd5\uff0c\u8054\u7528MLP\u548cNN\u6a21\u578b\uff0c\u8ba1\u7b97 LiFSI\/DME\u6eb6\u6db2\u7684\u52a8\u6001NMR\u8c31\u3002LiFSI\u6d53\u5ea6\u4ece1 M\u589e\u81f33 M\u65f6\uff0c\u6eb6\u5242\u5316\u7ed3\u6784\u53d8\u5316\u4f7fNMR\u5316\u5b66\u4f4d\u79fb\u5411\u9ad8\u573a\u79fb\u52a8\uff0c4 M\u65f6\u5219\u5411\u4f4e\u573a\u79fb\u52a8\u3002\u6211\u4eec\u6784\u5efa\u4e86\u5206\u5b50\u7ed3\u6784\u4e0eNMR\u8c31\u7684\u5b9a\u91cf\u5173\u7cfb\uff0c\u6df1\u5165\u5256\u6790\u4e86\u6eb6\u5242\u5316\u7ed3\u6784\u5f52\u5c5e\u3002\u7814\u7a76\u8868\u660e\uff0c\u5b58\u5728\u4e24\u79cd\u76f8\u4e92\u7ade\u4e89\u7684\u5c40\u90e8\u6eb6\u5242\u5316\u7ed3\u6784\uff0c\u7535\u89e3\u8d28\u6d53\u5ea6\u63a5\u8fd1\u4e0a\u9650\u65f6\uff0c\u5176\u4e3b\u5bfc\u5730\u4f4d\u4ea4\u66ff\uff0c\u5bfc\u81f4\u2077Li\u5316\u5b66\u4f4d\u79fb\u53d8\u5316\u3002\u8be5\u65b9\u6cd5\u7cbe\u51c6\u9ad8\u6548\uff0c\u9884\u6d4b\u7ed3\u679c\u4e0e\u5b9e\u9a8c\u8c31\u9ad8\u5ea6\u543b\u5408\u3002\u6709\u671b\u62d3\u5c55\u5230\u5176\u4ed6\u590d\u6742\u7535\u89e3\u8d28\u4f53\u7cfb\uff0c\u5e76\u9884\u6d4b\u5176\u4ed6\u539f\u5b50\u6838\u5316\u5b66\u4f4d\u79fb\u3002<\/p>\n<p>\u8fd9\u9879\u5de5\u4f5c\u4e3a\u7406\u89e3\u6eb6\u5242\u5316\u7ed3\u6784\u4e0eNMR\u5316\u5b66\u4f4d\u79fb\u5173\u7cfb\u63d0\u4f9b\u4e86\u65b0\u89c6\u89d2\uff0c\u662f\u7814\u7a76\u7535\u89e3\u8d28\u6eb6\u6db2\u7684\u9ad8\u6548\u624b\u6bb5\uff0c\u52a0\u6df1\u4e86\u5bf9\u7535\u89e3\u8d28\u6eb6\u5242\u5316\u7ed3\u6784\u7684\u7406\u89e3\uff0c\u4e3a\u4f18\u5316\u7535\u89e3\u8d28\u8bbe\u8ba1\u5f00\u62d3\u4e86\u65b0\u8def\u5f84\u3002<\/p>\n<p>\u3010\u81f4\u8c22\u3011<\/p>\n<p>\u611f\u8c22\u534e\u4e1c\u5e08\u8303\u5927\u5b66\u80e1\u70b3\u6587\u6559\u6388\u548c\u4e0a\u6d77\u79d1\u6280\u5927\u5b66\u5218\u6d77\u94ed\u6559\u6388\u7684\u5b9d\u8d35\u5efa\u8bae\u3002\u7a0b\u4fca\u6559\u6388\u611f\u8c22\u56fd\u5bb6\u81ea\u7136\u79d1\u5b66\u57fa\u91d1\uff08\u8d44\u52a9\u53f7\uff1a22021001\u300122225302\u300121991151\u300121991150\u300192161113\uff09\u3001\u4e2d\u592e\u9ad8\u6821\u57fa\u7840\u7814\u7a76\u57fa\u91d1\uff08\u8d44\u52a9\u53f7\uff1a20720220009\uff09\u3001\u4eba\u5de5\u667a\u80fd\u5e94\u7528\u7535\u5316\u5b66\u5b9e\u9a8c\u5ba4\uff08AI4EC\uff09\u3001IKKEM\uff08\u8d44\u52a9\u53f7\uff1aRD2023100101\u548c RD2022070501\uff09\u7684\u8d44\u91d1\u652f\u6301\u3002\u6c64\u5bcc\u6770\u526f\u6559\u6388\u611f\u8c22\u79d1\u6280\u90e8\u91cd\u70b9\u7814\u53d1\u8ba1\u5212\uff08\u8d44\u52a9\u53f7\uff1a2024YFA1210804\uff09\u548c\u53a6\u95e8\u5927\u5b66\u7684\u542f\u52a8\u8d44\u91d1\u652f\u6301\u3002<\/p>\n<p><strong><b>\u8bba\u6587\u94fe\u63a5\uff1a<\/b><\/strong><\/p>\n<ul>\n<li>https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.5c02710<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>&nbsp; \u3010\u6587\u7ae0\u7b80\u4ecb\u3011 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