{"id":22496,"date":"2023-12-04T09:18:23","date_gmt":"2023-12-04T14:18:23","guid":{"rendered":"https:\/\/www.bumc.bu.edu\/ppb\/?page_id=22496"},"modified":"2025-07-09T09:15:03","modified_gmt":"2025-07-09T13:15:03","slug":"nmr-spectroscopy-lab","status":"publish","type":"page","link":"https:\/\/www.bumc.bu.edu\/ppb\/nmr-spectroscopy-lab\/","title":{"rendered":"NMR Spectroscopy Lab"},"content":{"rendered":"<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p style=\"text-align: center;\"><img loading=\"lazy\" src=\"\/ppb\/files\/2023\/12\/nmr_lab.jpg\" alt=\"\" width=\"650\" height=\"488\" class=\"aligncenter size-full wp-image-22499\" srcset=\"https:\/\/www.bumc.bu.edu\/ppb\/files\/2023\/12\/nmr_lab.jpg 650w, https:\/\/www.bumc.bu.edu\/ppb\/files\/2023\/12\/nmr_lab-400x300.jpg 400w\" sizes=\"(max-width: 650px) 100vw, 650px\" \/><br \/>\n<strong>Dr. C. James McKnight<\/strong><br \/>\nDirector<\/p>\n<p style=\"text-align: center;\"><strong>Jonathan Vural<\/strong><br \/>\nSpectroscopist<\/p>\n<p style=\"text-align: center;\">\u00a0<strong>Structural NMR Spectroscopy<\/strong><br \/>\nChobanian &amp; Avedisian School of Medicine<br \/>\nDepartment of Pharmacology, Physiology &amp; Biophysics<br \/>\n700 Albany Street\u2013Room W334<br \/>\nBoston MA, 02118<\/p>\n<p>&nbsp;<\/p>\n<p><strong>Spectrometer<\/strong><\/p>\n<p>The Program in Biophysics houses a state-of-the-art NMR facility with a high resolution spectrometer operating at 500 (11.7 Tesla). Instruction and maintenance of the instruments is provided by Jonathan Vural.<\/p>\n<p>Our instrument is a Bruker Avance III HD 4-channel system (1H, 13C, 15N, 2H) with a TCI-cryoprobe and a Z- gradient. The instrument runs Bruker\u2019s Topspin (version 3.6.3) software. This instrument is part of the Boston University NMR Core Facility directed by Dr. C. James McKnight.<\/p>\n<p>In addition to the computers associated with the spectrometers, extensive computer facilities are available for off-line NMR processing, peak picking, analysis and structure determination.<\/p>\n<p><strong>Contact<\/strong><\/p>\n<p><span style=\"text-decoration: underline;\">For inquiries about usage:<\/span><br \/>\nC. James McKnight<br \/>\nDirector<br \/>\n617-358-9553<br \/>\ncjmck@bu.edu<\/p>\n<p><span style=\"text-decoration: underline;\">For scheduling:<\/span><br \/>\nJonathan Vural<br \/>\n617-358-4946<br \/>\nvural@bu.edu<\/p>\n<p><strong>NMR Software Links<\/strong><\/p>\n<p><a href=\"https:\/\/nmrfx.org\/\">NMRFx<\/a> (formerly NmrView)<\/p>\n<p><a href=\"https:\/\/www.ibbr.umd.edu\/\/nmrpipe\/install.html\">NmrPipe<\/a> (data processing)<\/p>\n<p><a href=\"http:\/\/mestrelab.com\/\" class=\"inline\">Mnova <\/a>(1 and 2-D display\/analysis)<\/p>\n<p><a href=\"https:\/\/www.bruker.com\/products\/mr\/nmr.html\" class=\"inline\">Bruker NMR<\/a><\/p>\n<p><a href=\"https:\/\/sourceforge.net\/projects\/molmol\/\" class=\"inline\">MOLMOL <\/a>(molecular graphics)<\/p>\n<p><a href=\"http:\/\/cns-online.org\/v1.3\/\" class=\"inline\">CNSsolve (structure calculation)<\/a><\/p>\n<p><a href=\"http:\/\/spincore.com\/nmrinfo\/\" class=\"inline\">NMR information server<\/a><\/p>\n<p><a href=\"https:\/\/bmrb.io\/\" class=\"inline\">BioMagResBank <\/a>(repository of all things NMR)<\/p>\n<p><a href=\"http:\/\/www.ebi.ac.uk\/thornton-srv\/software\/PROCHECK\/\" class=\"inline\">Pro-check NMR <\/a>(structure validation software)<\/p>\n<p><a href=\"https:\/\/www.rcsb.org\/\">Protein Data Base<\/a><\/p>\n<p><a href=\"https:\/\/www.cgl.ucsf.edu\/chimerax\/\">UCSF ChimeraX<\/a> (Molecular Display)<\/p>\n<p><a href=\"https:\/\/sdbs.db.aist.go.jp\/sdbs\/cgi-bin\/cre_index.cgi?lang=eng\"><span>Spectral Database for Organic Compounds<\/span><\/a><\/p>\n<p><a href=\"\/ppb\/files\/2023\/12\/nmrchart.pdf\">NMR Solvent Data Chart<\/a> from CIL<\/p>\n<p><a href=\"http:\/\/www.nmrdb.org\/new_predictor\/index.shtml?v=v2.130.1\">NMRDB.org<\/a> Software to Predict NMR Spectra<\/p>\n<p>Hans Reich\u2019s (University of Wisconsin \u2013 Madison) teachings of <a href=\"https:\/\/organicchemistrydata.org\/hansreich\/resources\/nmr\/?page=nmr-content%2F\">NMR theory<\/a><\/p>\n<p>Introduction to the lectures series <a href=\"https:\/\/www.youtube.com\/watch?v=nM7jQFhrvR0&amp;list=PLE20foNk9J6L1dh9X27RaPiaul8_7wrAY\">\u201cUnderstanding NMR spectroscopy\u201d<\/a> by Dr. James Keeler<\/p>\n","protected":false},"excerpt":{"rendered":"<p>&nbsp; &nbsp; Dr. C. James McKnight Director Jonathan Vural Spectroscopist \u00a0Structural NMR Spectroscopy Chobanian &amp; Avedisian School of Medicine Department of Pharmacology, Physiology &amp; Biophysics 700 Albany Street\u2013Room W334 Boston MA, 02118 &nbsp; Spectrometer The Program in Biophysics houses a state-of-the-art NMR facility with a high resolution spectrometer operating at 500 (11.7 Tesla). Instruction and [&hellip;]<\/p>\n","protected":false},"author":1811,"featured_media":0,"parent":0,"menu_order":24,"comment_status":"closed","ping_status":"closed","template":"page-templates\/no-sidebars.php","meta":[],"_links":{"self":[{"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/pages\/22496"}],"collection":[{"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/users\/1811"}],"replies":[{"embeddable":true,"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/comments?post=22496"}],"version-history":[{"count":13,"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/pages\/22496\/revisions"}],"predecessor-version":[{"id":23796,"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/pages\/22496\/revisions\/23796"}],"wp:attachment":[{"href":"https:\/\/www.bumc.bu.edu\/ppb\/wp-json\/wp\/v2\/media?parent=22496"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}