{"id":61911,"date":"2017-01-18T06:30:23","date_gmt":"2017-01-17T22:30:23","guid":{"rendered":"\/\/m.iemloyee.com\/?p=61911"},"modified":"2017-02-06T12:32:09","modified_gmt":"2017-02-06T04:32:09","slug":"%e5%ad%a6%e6%9c%af%e5%b9%b2%e8%b4%a7%e6%a0%b8%e7%a3%81%e5%85%b1%e6%8c%af%e5%a5%bd%e5%9f%ba%e5%8f%8bmestrenova-%e6%89%8b%e6%8a%8a%e6%89%8b%e6%95%99%e4%bd%a0%e5%81%9a%e5%87%ba%e4%b8%80%e5%bc%a0","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=61911","title":{"rendered":"\u6d4b\u8bd5\u5e72\u8d27|\u6838\u78c1\u5171\u632f\u597d\u57fa\u53cbMestReNova\u2014\u624b\u628a\u624b\u6559\u4f60\u505a\u51fa\u4e00\u5f20\u6838\u78c1\u8c31\u56fe"},"content":{"rendered":"
\u6838\u78c1\u5171\u632f<\/b>\uff08NMR<\/b><\/span>\uff0cN<\/b>uclear M<\/b>agnetic R<\/b>esonance<\/span>\uff09\u662f\u57fa\u4e8e\u539f\u5b50\u5c3a\u5ea6\u7684\u91cf\u5b50\u78c1\u7269\u7406\u6027\u8d28\u3002\u5177\u6709\u5947\u6570\u8d28\u5b50\u6216\u4e2d\u5b50\u7684\u6838\u5b50\uff0c\u5177\u6709\u5185\u5728\u7684\u6027\u8d28\uff1a\u6838\u81ea\u65cb\uff0c\u81ea\u65cb\u89d2\u52a8\u91cf\u3002\u6838\u81ea\u65cb\u4ea7\u751f\u78c1\u77e9\u3002NMR\u89c2\u6d4b\u539f\u5b50\u7684\u65b9\u6cd5\uff0c\u662f\u5c06\u6837\u54c1\u7f6e\u4e8e\u5916\u52a0\u5f3a\u5927\u7684\u78c1\u573a\u4e0b\uff0c\u73b0\u4ee3\u7684\u4eea\u5668\u901a\u5e38\u91c7\u7528\u4f4e\u6e29\u8d85\u5bfc\u78c1\u94c1\u3002\u6838\u81ea\u65cb\u672c\u8eab\u7684\u78c1\u573a\uff0c\u5728\u5916\u52a0\u78c1\u573a\u4e0b\u91cd\u65b0\u6392\u5217\uff0c\u5927\u591a\u6570\u6838\u81ea\u65cb\u4f1a\u5904\u4e8e\u4f4e\u80fd\u6001\u3002\u6211\u4eec\u989d\u5916\u65bd\u52a0\u7535\u78c1\u573a\u6765\u5e72\u6d89\u4f4e\u80fd\u6001\u7684\u6838\u81ea\u65cb\u8f6c\u5411\u9ad8\u80fd\u6001\uff0c\u518d\u56de\u5230\u5e73\u8861\u6001\u4fbf\u4f1a\u91ca\u653e\u51fa\u5c04\u9891\uff0c\u8fd9\u5c31\u662fNMR\u8baf\u53f7\u3002\u5229\u7528\u8fd9\u6837\u7684\u8fc7\u7a0b\uff0c\u53ef\u4ee5\u8fdb\u884c\u5206\u5b50\u79d1\u5b66\u7684\u7814\u7a76\uff0c\u5982\u5206\u5b50\u7ed3\u6784\u3001\u52a8\u6001\u7b49\u3002<\/span><\/p>\n \u5728\u5bf9\u6838\u78c1\u8fdb\u884c\u5206\u6790\u7684\u65f6\u5019\uff0c\u5c0f\u4f19\u4f34\u4eec\u4e00\u5b9a\u79bb\u4e0d\u5f00MestReNova<\/strong><\/span>\u8fd9\u4e2a\u57fa\u7840\u8f6f\u4ef6\u3002\u7b80\u5355\u7684\u5206\u6790\u60f3\u5fc5\u5927\u5bb6\u90fd\u4f1a\uff0c\u53ef\u662f\u5982\u679c\u662f\u8981\u653e\u5728\u6587\u7ae0\u91cc\u7684\u8bdd\uff0c\u53ef\u80fd\u5c31\u9700\u8981\u4e0b\u4e00\u756a\u529f\u592b\u4e86\u3002\u4eca\u5929\u5c0f\u7f16\u5e26\u9886\u5404\u4f4d\u770b\u5b98\u4e00\u8d77\u505a\u4e00\u5f20\u53ef\u4ee5\u653e\u5728\u6587\u7ae0\u4e2d\u7684\u6838\u78c1\u8c31\u56fe\u3002\uff08\u591a\u56fe\u9884\u8b66\uff09<\/p>\n \u8981\u5206\u6790\u6838\u78c1\u56fe\uff0c\u9996\u5148\u8981\u5148\u4f1a\u6253\u5f00\u5b83\uff08\u4ee5\u5c0f\u7f16\u505a\u7684\u4e00\u4e2a\u6750\u6599\u4e3a\u4f8b\uff0c\u6eb6\u5242\u4e3aCDCl3<\/sub>\uff09\u3002\u6253\u5f00\u6587\u4ef6\u5939\uff0c\u9009\u62e9\u4efb\u610f\u4e00\u4e2a\u6587\u4ef6\uff08\u4ee5acqus\u4e3a\u4f8b\uff09\u540e\u9009\u62e9\u7528MestReNova\u6253\u5f00\u3002\u6211\u4eec\u6700\u5e38\u7528\u7684\u5c31\u662f\u4e0b\u56fe\u4e2d\u7ea2\u8272\u6846\u5185\u7684\u51e0\u4e2a\u6309\u94ae\u4e86\u3002<\/p>\n \u6253\u5f00\u4e4b\u540e\u7684\u8f6f\u4ef6\u754c\u9762\u5982\u4e0b\u56fe\u3002<\/p>\n \u9996\u5148\u7528\u4e0b\u56fe\u4e2d\u7ea2\u6846\u6309\u94ae\u5bf9\u60f3\u7740\u91cd\u89c2\u5bdf\u7684\u533a\u57df\u653e\u5927\uff0c\u4e00\u822c\u60c5\u51b5\u4e0b\u6211\u4eec\u9996\u5148\u89c2\u5bdf\u82b3\u9999\u533a\uff0c\u4e5f\u5c31\u662f\u5316\u5b66\u4f4d\u79fb\u57287\u5de6\u53f3\u7684\u533a\u57df\u3002<\/p>\n \u7528\u7ea2\u6846\u4e2d\u7684\u952e\u5bf9\u6eb6\u5242\u5cf0\u5b9a\u6807\uff08\u9009\u62e97.26\u9644\u8fd1\u7684\u5cf0\uff0c\u5c06ppm\u503c\u6539\u4e3a7.26\uff09<\/p>\n \u9009\u62e9\u56fe\u4e2d\u7ea2\u6846\u56fe\u6807\uff0c\u91c7\u7528\u4eba\u5de5\u6807\u5cf0\u3002\u6846\u9009\u51fa\u4f60\u8981\u6807\u7684\u5cf0\uff0c\u7136\u540e\u677e\u624b\u3002<\/p>\n \u5cf0\u7684\u5316\u5b66\u4f4d\u79fb\u503c\u5982\u4e0b\u56fe\u6240\u793a\u3002\u70f7\u57fa\u533a\u540c\u4e0a\u3002<\/p>\n \u9009\u62e9\u56fe\u4e2d\u7ea2\u6846\u9009\u4e2d\u6309\u94ae\u9009\u62e9\u4eba\u5de5\u79ef\u5206\u3002\u6807\u5b9a\u4e4b\u540e\u5982\u56fe\u4e2d\u6240\u793a\u3002<\/p>\n \u9009\u62e9\u56fe\u4e2d\u7ea2\u6846\u9009\u4e2d\u6309\u94ae\uff0c\u9009\u62e9\u201cAutomatic\u201d\u3002<\/p>\n \u7535\u8111\u5c31\u4f1a\u81ea\u52a8\u5bf9\u5df2\u7ecf\u5df2\u7ecf\u79ef\u5206\u7684\u90e8\u5206\u8fdb\u884c\u8ba1\u7b97\u3002\u7ed3\u679c\u5982\u4e0b\u56fe\u6240\u793a\u3002 \u4e00\u822c\u6765\u8bf4\uff0c\u6587\u7ae0\u6b63\u6587\u4e2d\u4e0d\u4f1a\u51fa\u73b0\u6838\u78c1\u8c31\u56fe\uff0c\u6838\u78c1\u8c31\u56fe\u901a\u5e38\u4f1a\u653e\u5728supporting information\u91cc\uff0c\u6587\u7ae0\u6b63\u6587\u4e2d\u901a\u5e38\u653e\u6587\u5b57\u3002\u90a3\u4e48\u600e\u4e48\u5c06\u6838\u78c1\u56fe\u8f6c\u5316\u4e3a\u6587\u5b57\u5462\uff1f\u4e0d\u8981\u7740\u6025 \uff0c\u4e14\u542c\u6211\u4e00\u4e00\u9053\u6765\u3002<\/p>\n \u70b9\u9009\u201cReport\u201d\uff0c\u5728\u56fe\u8868\u4e2d\u5c31\u4f1a\u51fa\u73b0\u6838\u78c1\u7684\u6587\u5b57\u5206\u6790\u7ed3\u679c\u3002<\/p>\n \u9009\u4e2d\u4e4b\u540e\uff0c\u5c31\u53ef\u4ee5\u76f4\u63a5\u9ecf\u8d34\u5728\u4f60\u7684\u6b63\u6587\u4e2d\u4e86\uff08\u522b\u5fd8\u4e86\u5220\u9664\u6846\u6846\u54e6\uff09\u3002<\/p>\n \u5206\u6790\u6b63\u786e\u4e4b\u540e\uff0c\u5982\u679c\u76f4\u63a5\u628a\u8fd9\u6837\u7684\u8c31\u56fe\u653e\u5728\u6587\u7ae0\u91cc\uff0c\u603b\u89c9\u5f97\u548c\u767d\u82b1\u82b1\u7684\u80cc\u666f\u6709\u4e9b\u7ef4\u548c\uff0c\u4e3a\u4e86\u8ba9\u56fe\u8c31\u770b\u7684\u66f4\u52a0\u548c\u8c10\uff0c\u6211\u4eec\u5c31\u9700\u8981\u5bf9\u5176\u8fdb\u884c\u7f8e\u5316\u3002<\/p>\n \u9009\u62e9\u56fe\u4e2d\u7ea2\u6846\u7684\u201c\u5c0f\u624b\u201d\uff0c\u7136\u540e\u5728\u7a7a\u767d\u5904\u53cc\u51fb\u5de6\u952e\u3002<\/p>\n <\/p>\n <\/p>\n \u9009\u62e9\u53f3\u8fb9\u7b2c2\u4e2a\u9009\u9879\u5361\uff0c\u6309\u56fe\u4e2d\u6240\u793a\uff0c\u52fe\u9009\u63893\u4e2d\u7684\u4e24\u4e2a\u5bf9\u94a9\uff0c\u8fd9\u6837\u56fe\u8c31\u4e2d\u80cc\u666f\u5c31\u4f1a\u53d8\u6210\u7a7a\u767d\u3002<\/p>\n \u52fe\u9009\u6389\u201cVertical\u201d\uff0c\u8fd9\u6837\u56fe\u8c31\u4e2d\u7684\u7eb5\u5750\u6807\u5c31\u6ca1\u6709\u4e86\u3002<\/p>\n \u9009\u62e9\u7b2c3\u4e2a\u9009\u9879\u5361\uff0c\u5982\u56fe\u6240\u793a\uff0c\u9009\u62e9\u5408\u9002\u7684\u5b57\u4f53\u5b57\u53f7\u7b49\u3002<\/p>\n \u9009\u62e9\u7b2c4\u4e2a\u9009\u9879\u5361\uff0c\u5982\u56fe\u6240\u793a\uff0c\u5c06\u201cCurve\u201d\u52fe\u9009\u6389\uff0c\u53bb\u6389\u66f2\u7ebf\uff1b\u5c062%\u6539\u4e3a3%\uff0c\u5c06\u79ef\u5206\u4e0a\u79fb\u3002<\/p>\n \u6700\u540e\u9009\u62e9\u201cOK\u201d\u8fd9\u6837\u4f60\u5c31\u5f97\u5230\u4e86\u4e00\u5f20\u6f02\u4eae\u7684\u6838\u78c1\u56fe\u4e86\u3002<\/p>\n \u4e3a\u4e86\u4f7f\u56fe\u5f62\u5728\u653e\u5927\u7f29\u5c0f\u65f6\u4e0d\u5931\u771f\uff0c\u6211\u4eec\u9700\u8981\u628a\u56fe\u5f62\u4fdd\u5b58\u4e3a\u77e2\u91cf\u56fe\u3002<\/p>\n \u9009\u62e9File\uff0csave as\uff0c\u5c06\u4fdd\u5b58\u7c7b\u578b\u8bbe\u4e3atiff\uff0c\u4fdd\u5b58\u4e3a\u77e2\u91cf\u56fe\u3002<\/p>\n \u8fd9\u6837\uff0c\u4e00\u5f20\u53ef\u4ee5\u653e\u5230\u6587\u7ae0\u4e2d\u7684\u6807\u51c6NMR\u56fe\u5c31\u51fa\u7089\u4e86\uff01<\/p>\n \u603b\u4f53\u6d41\u7a0b\u5c31\u662f\uff1a\u5b9a\u6807\u3001\u6807\u5cf0\u3001\u79ef\u5206\u3001\u6807\u5b9a\u5076\u6781\u77e9\u3001\u7f8e\u5316\u3002<\/p>\n \u5982\u679c\u80fd\u7ed3\u5408\u7740Chemdraw\uff0c\u5c06\u5316\u5b66\u5206\u5b50\u5f0f\u8d34\u5165\u6838\u78c1\u8c31\u56fe\u4e2d<\/p>\n \u5c11\u5e74\uff0c\u53d1Nature\u5c31\u6307\u65e5\u53ef\u5f85\u4e86!<\/p>\n (Chemdraw\u4f7f\u7528\u6559\u7a0b\u53c2\u770b\u5b66\u672f\u5e72\u8d27|\u5316\u5de5\u6750\u6599\u5b66\u5b50\u57fa\u7840\u5165\u95e8\u5fc5\u5907\u2013ChemDraw\u7684\u4f7f\u7528\u65b9\u6cd5<\/a>)<\/p>\n \u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u5b66\u672f\u5e72\u8d27\u7ec4 \u5927\u5b8b\u3001\u9ad8\u9a8f\u00a0<\/span>\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u7f16\u8f91\u6574\u7406\u3002 \u6750\u6599\u4eba\u7f51\u4e13\u6ce8\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u53ca\u884c\u4e1a\u8fdb\u5c55\uff0c\u8fd9\u91cc\u6c47\u96c6\u4e86\u5404\u5927\u9ad8\u6821\u7855\u535a\u751f\u3001\u4e00\u7ebf\u79d1\u7814\u4eba\u5458\u4ee5\u53ca\u884c\u4e1a\u4ece\u4e1a\u8005\uff0c\u5982\u679c\u60a8\u5bf9\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u8fdb\u5c55\uff0c\u89e3\u8bfb\u9ad8\u6c34\u5e73\u6587\u7ae0\u6216\u662f\u8bc4\u8ff0\u884c\u4e1a\u6709\u5174\u8da3\uff0c\u70b9\u6211\u52a0\u5165\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n \u6750\u6599\u4eba\u7f51\u5411\u5404\u5927\u56e2\u961f\u8bda\u5fc3\u7ea6\u7a3f\uff0c\u8bfe\u9898\u7ec4\u6700\u65b0\u6210\u679c\u3001\u65b9\u5411\u603b\u7ed3\u3001\u56e2\u961f\u8bbf\u8c08\u3001\u5b9e\u9a8c\u6280\u80fd\u7b49\u7686\u53ef\u6295\u7a3f\uff0c\u4f18\u79c0\u7a3f\u4ef6\u4e00\u7ecf\u5f55\u7528\uff0c\u6211\u4eec\u4f1a\u5949\u4e0a\u7a3f\u916c\uff0c\u8bf7\u8054\u7cfb\uff1a\u90ae\u7bb1tougao@cailiaoren.com \u6216 QQ\uff1a97482208\u3002<\/p>\n \u4eea\u5668\u8bbe\u5907\u3001\u8bd5\u5242\u8017\u6750\u3001\u6750\u6599\u6d4b\u8bd5\u3001\u6570\u636e\u5206\u6790\uff0c\u627e\u6750\u6599\u4eba<\/a>\u3001\u4e0a\u6d4b\u8bd5\u8c37<\/a>\uff01<\/p>\n","protected":false},"excerpt":{"rendered":" \u6838\u78c1\u5171\u632f\uff08NMR\uff0cNuclear Magnetic Resonance\uff09\u662f\u57fa\u4e8e\u539f\u5b50\u5c3a\u5ea6\u7684\u91cf\u5b50\u78c1\u7269\u7406\u6027\u8d28\u3002\u5177\u6709\u5947\u6570\u8d28\u5b50\u6216\u4e2d\u5b50\u7684\u6838\u5b50\uff0c\u5177\u6709\u5185\u5728\u7684\u6027\u8d28\uff1a\u6838\u81ea\u65cb\uff0c\u81ea\u65cb\u89d2…<\/p>\n","protected":false},"author":742,"featured_media":61983,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[4],"tags":[981],"class_list":["post-61911","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-ganhuo","tag-test"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/61911"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/742"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=61911"}],"version-history":[{"count":10,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/61911\/revisions"}],"predecessor-version":[{"id":62197,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/61911\/revisions\/62197"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/61983"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=61911"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=61911"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=61911"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}
\u7b2c\u4e00\u6b65\uff1a\u5b9a\u6807<\/strong><\/span><\/h2>\n
<\/p>\n
<\/p>\n
<\/a><\/p>\n
<\/p>\n
<\/p>\n
\u7b2c\u4e8c\u6b65\uff1a\u6807\u5cf0<\/strong><\/span><\/h2>\n
<\/p>\n
<\/p>\n
\u7b2c\u4e09\u6b65\uff1a\u79ef\u5206<\/strong><\/span><\/h2>\n
<\/p>\n
\u7b2c\u56db\u6b65\uff1a\u6807\u5b9a\u5076\u6781\u77e9<\/strong><\/span><\/h2>\n
<\/p>\n
<\/p>\n
<\/p>\n
<\/p>\n
\u7b2c\u4e94\u6b65\uff1a\u4fee\u9970\u3001\u7f8e\u5316<\/strong><\/span><\/h2>\n
<\/p>\n
<\/p>\n
<\/p>\n
<\/p>\n
<\/p>\n
<\/p>\n
<\/p>\n
<\/p>\n
\u603b\u7ed3\uff1a<\/strong><\/span><\/h2>\n
\n<\/span><\/p>\n