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Robert","family":"Scheidt","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, and Department of Physics and Center for Interdisciplinary Research on Complex Systems, Northeastern University, Boston, Massachusetts 02115"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2009,1,22]]},"reference":[{"key":"ref1\/cit1","volume-title":"The Smallest Biomolecules: Diatomics and Their Interactions with Heme Proteins","author":"Ghosh A.","year":"2008"},{"key":"ref2\/cit2a","doi-asserted-by":"crossref","first-page":"544","DOI":"10.1007\/s007750050169","volume":"2","author":"Olson J. S.","year":"1997","journal-title":"J. Biol. Inorg. Chem."},{"key":"ref2\/cit2b","doi-asserted-by":"crossref","first-page":"3168","DOI":"10.1016\/S0021-9258(19)39749-2","volume":"265","author":"Rohlfs R. J.","year":"1990","journal-title":"J. Biol. Chem."},{"key":"ref3\/cit3a","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1016\/0022-2836(86)90470-5","volume":"192","author":"Kuriyan J.","year":"1986","journal-title":"J. Mol. Biol."},{"key":"ref3\/cit3b","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1016\/0022-2836(91)90020-7","volume":"220","author":"Cheng X.","year":"1991","journal-title":"J. Mol. Biol."},{"key":"ref4\/cit4a","doi-asserted-by":"crossref","first-page":"2153","DOI":"10.1016\/S0006-3495(99)77056-6","volume":"77","author":"Vojt\u011bchovsk\u00fd J.","year":"1999","journal-title":"Biophys. J."},{"key":"ref4\/cit4b","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1126\/science.284.5413.473","volume":"284","author":"Kachalova G. S.","year":"1999","journal-title":"Science"},{"key":"ref5\/cit5a","doi-asserted-by":"crossref","first-page":"6363","DOI":"10.1021\/jp953543h","volume":"100","author":"Ghosh A.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref5\/cit5b","doi-asserted-by":"crossref","first-page":"526","DOI":"10.1007\/s007750050166","volume":"2","author":"Vangberg T.","year":"1997","journal-title":"J. Biol. Inorg. Chem."},{"key":"ref6\/cit6a","doi-asserted-by":"crossref","first-page":"808","DOI":"10.1038\/371808a0","volume":"371","author":"Schlichting I.","year":"1994","journal-title":"Nature"},{"key":"ref6\/cit6b","doi-asserted-by":"crossref","first-page":"7013","DOI":"10.1073\/pnas.93.14.7013","volume":"93","author":"Hartmann H.","year":"1996","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref6\/cit6c","doi-asserted-by":"crossref","first-page":"12087","DOI":"10.1021\/bi971140x","volume":"36","author":"Teng T.-Y.","year":"1997","journal-title":"Biochemistry"},{"key":"ref7\/cit7","volume-title":"The Smallest Biomolecules: Diatomics and Their Interactions with Heme Proteins","author":"Gilles-Gonzalez M.-A.","year":"2008"},{"key":"ref8\/cit8","unstructured":"The following abbreviations are used in this paper: NO, nitric oxide;mono-[Fe(TpFPP)(NO)(1-MeIm)], monoclinic form of (1-methylimidazole)(nitrosyl)meso-(para-fluorotetraphenylporphyrinato)iron;tri-[Fe(TpFPP)(NO)(1-MeIm)], triclinic form of (1-methylimidazole)(nitrosyl)meso-(para-fluorotetraphenylporphyrinato)iron; Porph, generalized porphyrin dianion; TpOCH3PP,meso-para-methoxytetraphenylporphyrin; TpCF3PP,meso-para-trifluoromethyltetraphenylporphyrin; TpNO2PP,meso-para-nitrotetraphenylporphyrin; TPP, dianion ofmeso-tetraphenylporphyrin; His, histidine; 1-MeIm, 1-methylimidazole."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"352","DOI":"10.1161\/01.RES.52.3.352","volume":"52","author":"Rapoport R. M.","year":"1983","journal-title":"Circ. Res."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"4997","DOI":"10.1016\/S0021-9258(19)89205-0","volume":"261","author":"Ignarro L. J.","year":"1986","journal-title":"J. Biol. Chem."},{"key":"ref11\/cit11a","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1111\/j.1476-5381.1986.tb10218.x","volume":"88","author":"Azuma H.","year":"1986","journal-title":"Br. J. Pharmacol."},{"key":"ref11\/cit11b","doi-asserted-by":"crossref","first-page":"687","DOI":"10.1111\/j.1476-5381.1987.tb11221.x","volume":"90","author":"Furlong B.","year":"1987","journal-title":"Br. J. Pharmacol."},{"key":"ref11\/cit11c","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1111\/j.1476-5381.1987.tb11367.x","volume":"92","author":"Radomski M. W.","year":"1987","journal-title":"Br. J. Pharmacol."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1016\/0166-2236(91)90022-M","volume":"14","author":"Garthwaite J.","year":"1991","journal-title":"Trends Neurosci."},{"key":"ref13\/cit13a","doi-asserted-by":"crossref","first-page":"1861","DOI":"10.1126\/science.1470903","volume":"258","author":"Koshland D. E.","year":"1992","journal-title":"Science"},{"key":"ref13\/cit13b","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1039\/cs9932200233","author":"Butler A. R.","year":"1993","journal-title":"Chem. Soc. Rev."},{"key":"ref13\/cit13c","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/S0031-6997(25)06663-3","volume":"43","author":"Moncada S.","year":"1991","journal-title":"Pharmacol. Rev."},{"key":"ref14\/cit14","unstructured":"Sousa, E. H. S., Gonzalez, G., and Gilles-Gonzalez, M.A.InThe Smallest Biomolecules: Diatomics and Their Interactions with Heme Proteins;Ghosh, A., Ed.Elsevier:Amsterdam, 2008; pp534\u2212535."},{"key":"ref15\/cit15","first-page":"490","volume":"6","author":"Iyer L. M.","year":"2003","journal-title":"BMC Genomics"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"1550","DOI":"10.1126\/science.1103596","volume":"306","author":"Nioche P.","year":"2004","journal-title":"Science"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"10203","DOI":"10.1021\/bi049374l","volume":"43","author":"Karow D, S.","year":"2004","journal-title":"Biochemistry"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"12854","DOI":"10.1073\/pnas.0405188101","volume":"101","author":"Pellicena P.","year":"2004","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1111\/j.1432-1033.1987.tb13436.x","volume":"168","author":"Schappacher M.","year":"1987","journal-title":"Eur. J. Biochem."},{"key":"ref20\/cit20a","doi-asserted-by":"crossref","first-page":"850","DOI":"10.1021\/ic50182a012","volume":"17","author":"Jameson G. B.","year":"1978","journal-title":"Inorg. Chem."},{"key":"ref20\/cit20b","doi-asserted-by":"crossref","first-page":"3224","DOI":"10.1021\/ja00529a055","volume":"102","author":"Jameson G. B.","year":"1980","journal-title":"J. Am. Chem. Soc."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1913","DOI":"10.1021\/ja00423a044","volume":"98","author":"Scheidt W. R.","year":"1976","journal-title":"J. Am. Chem. Soc."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"5722","DOI":"10.1021\/ic034473t","volume":"42","author":"Wyllie G. R. A.","year":"2003","journal-title":"Inorg. Chem."},{"key":"ref23\/cit23a","doi-asserted-by":"crossref","first-page":"5375","DOI":"10.1063\/1.431343","volume":"63","author":"Spartalian K.","year":"1975","journal-title":"J. Chem. Phys."},{"key":"ref23\/cit23b","doi-asserted-by":"crossref","first-page":"3829","DOI":"10.1021\/ja9832820","volume":"121","author":"Godbout N.","year":"1999","journal-title":"J. Am. Chem. Soc."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"912","DOI":"10.1021\/ic701700p","volume":"47","author":"Silvernail N. J.","year":"2008","journal-title":"Inorg. Chem."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1038\/222339a0","volume":"222","author":"Giglio E.","year":"1969","journal-title":"Nature"},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"2466","DOI":"10.1107\/S0567740873006862","volume":"29","author":"Shmueli U.","year":"1973","journal-title":"Acta Crystallogr."},{"key":"ref27\/cit27","unstructured":"Li, J.F., Nair, S., Noll, B. C., Oliver, A. G., Schulz, C. E., and Scheidt, W. R.Work in progress. An analysis of the apparent disorder of the dioxygen species is more complex than that of the NO species. The multiple positions of the terminal oxygen atom in the bent FeO2group in several crystal structures currently under study appears to reflect both disorder and crystallographic problems related to unresolved twinning."},{"key":"ref28\/cit28","unstructured":"The Oxford control unit was calibrated at the factory using the phase change of Rochelle\u2019s salt at 109 K.(29)The factory calibration was checked in our laboratory with an iron\u2212constantan thermocouple and an Omega 199 temperature meter. All of the reported temperatures are believed to be accurate to within 2 K."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1080\/01411599208222899","volume":"38","author":"Tomaszewski P. E.","year":"1992","journal-title":"Phase Trans."},{"key":"ref30\/cit30","volume-title":"SADABS","author":"Sheldrick G. M.","year":"2006"},{"key":"ref31\/cit31","volume-title":"TWINABS","author":"Sheldrick G. M.","year":"2006"},{"key":"ref32\/cit32a","volume-title":"XS","author":"Sheldrick G. M.","year":"2001"},{"key":"ref32\/cit32b","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1103\/PhysRev.46.372","volume":"46","author":"Patterson A. L.","year":"1934","journal-title":"Phys. Rev."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1107\/S0108767307043930","volume":"64","author":"Sheldrick G. M.","year":"2008","journal-title":"Acta Crystallogr."},{"key":"ref34\/cit34a","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1107\/S002188980600731X","volume":"39","author":"Macrae C. F.","year":"2006","journal-title":"J. Appl. Crystallogr."},{"key":"ref34\/cit34b","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1107\/S0108768102003324","volume":"58","author":"Bruno I. J.","year":"2002","journal-title":"Acta Crystallogr."},{"key":"ref34\/cit34c","doi-asserted-by":"crossref","first-page":"815","DOI":"10.1107\/S010876810101360X","volume":"57","author":"Taylor R.","year":"2001","journal-title":"Acta Crystallogr."},{"key":"ref35\/cit35","volume-title":"Gaussian 03","author":"Frisch M. J.","year":"2004"},{"key":"ref36\/cit36a","first-page":"5684","volume":"98","author":"Becke A. D.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref36\/cit36b","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee C.","year":"1988","journal-title":"Phys. Rev. B"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"2571","DOI":"10.1063\/1.463096","volume":"97","author":"Schafer A.","year":"1992","journal-title":"J. Phys. Chem."},{"key":"ref38\/cit38","unstructured":"Cambridge Crystallographic Data Centre Web site.http:\/\/www.ccdc.cam.ac.uk\/products\/csd\/radii\/(accessed April 20, 2008)."},{"key":"ref39\/cit39","unstructured":"When two oxygen atom positions are observed, the starting point is taken from the major-occupancy position."},{"key":"ref40\/cit40","unstructured":"In each curve of the type illustrated in Figure3, we used the atomic coordinates from the structure determined at that temperature. Since some thermal expansion or contraction can be expected, the nonbonded contact sums (svdWro) are expected to show some temperature dependence."},{"key":"ref41\/cit41","unstructured":"The potential energy between \u223c10 and 60\u00b0 at 100 K (but not at 293 K) was slightly underestimated because of the neglect of modest oxygen\u2212fluorine interactions."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"182","DOI":"10.1002\/prot.10495","volume":"53","author":"Copeland D. M.","year":"2003","journal-title":"Proteins: Struct., Funct., Genet."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"352","DOI":"10.1002\/(SICI)1097-0134(19980301)30:4<352::AID-PROT2>3.0.CO;2-L","volume":"30","author":"Brucker E. A.","year":"1998","journal-title":"Proteins"},{"key":"ref44\/cit44","unstructured":"The Protein Data Bank coordinates do not include any hydrogen atom positions."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"5354","DOI":"10.1021\/ic0005691","volume":"39","author":"Patchkovskii S.","year":"2000","journal-title":"Inorg. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"7404","DOI":"10.1021\/ja971140k","volume":"119","author":"Ellison M. K.","year":"1997","journal-title":"J. Am. Chem. Soc."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"4651","DOI":"10.1021\/ja993995y","volume":"122","author":"Scheidt W. R.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"4211","DOI":"10.1021\/ja038526h","volume":"126","author":"Leu B. M.","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"2795","DOI":"10.1021\/ic050865j","volume":"45","author":"Praneeth V. K. K.","year":"2006","journal-title":"Inorg. Chem."},{"key":"ref50\/cit50a","doi-asserted-by":"crossref","first-page":"8101","DOI":"10.1021\/ja000747p","volume":"122","author":"Ghosh A.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ref50\/cit50b","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1021\/ar050121+","volume":"38","author":"Ghosh A.","year":"2005","journal-title":"Acc. Chem. Res."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"7142","DOI":"10.1021\/ja001243u","volume":"122","author":"Cheng L.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"2200","DOI":"10.1021\/ja066869k","volume":"129","author":"Silvernail N. J.","year":"2007","journal-title":"J. Am. Chem. 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