{"id":773,"date":"2019-03-13T17:55:04","date_gmt":"2019-03-13T17:55:04","guid":{"rendered":"http:\/\/www.clowersresearch.com\/main\/?p=773"},"modified":"2019-03-13T20:55:54","modified_gmt":"2019-03-13T20:55:54","slug":"quantifying-proton-bound-heterodimer-association-energies-from-drift-time-shifts","status":"publish","type":"post","link":"http:\/\/www.clowersresearch.com\/main\/quantifying-proton-bound-heterodimer-association-energies-from-drift-time-shifts\/","title":{"rendered":"Quantifying Proton-Bound Heterodimer Association Energies from Drift Time Shifts"},"content":{"rendered":"\n<figure class=\"wp-block-image\"><img loading=\"lazy\" width=\"686\" height=\"980\" src=\"http:\/\/www.clowersresearch.com\/main\/wp-content\/uploads\/2019\/03\/Pearls_fig3.png\" alt=\"\" class=\"wp-image-779\" srcset=\"http:\/\/www.clowersresearch.com\/main\/wp-content\/uploads\/2019\/03\/Pearls_fig3.png 686w, http:\/\/www.clowersresearch.com\/main\/wp-content\/uploads\/2019\/03\/Pearls_fig3-210x300.png 210w, http:\/\/www.clowersresearch.com\/main\/wp-content\/uploads\/2019\/03\/Pearls_fig3-105x150.png 105w\" sizes=\"(max-width: 686px) 100vw, 686px\" \/><\/figure>\n\n\n\n<p>Previously, we <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.analchem.7b03518\">reported<\/a> an approach to quantify the energetics of association between neutral drift gas modifiers and two common chemical warfare agent degradation species by a combination of experimental drift time shift data as well as computational modeling in collaboration with Chris Hogan at the University of Minnesota. As a continuation of this research in conjunction with Dr. Hogan, we are pleased to report the acceptance of our article for publication in <em>The Journal of Physical Chemistry A<\/em> entitled, &#8220;<a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.8b11183\">Deducing Proton-Bound Heterodimer Association Energies from Shifts in Ion Mobility Arrival Time Distributions<\/a>.&#8221; This report describes the Gibbs free energy, enthalpy, and entropy changes as propanol is dimerized with a homologous series of alkylphosphonic acids (methyl-, ethyl-, and propylphosphonic acids) and its conformation with the Kelvin-Thomson-Raoult model.<br><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Previously, we reported an approach to quantify the energetics of association between neutral drift gas modifiers and two common chemical warfare agent degradation species by a combination of experimental drift time shift data as well as computational modeling in collaboration with Chris Hogan at the University of Minnesota. As a continuation of this research in [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":775,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"spay_email":""},"categories":[12,22],"tags":[],"jetpack_featured_media_url":"http:\/\/www.clowersresearch.com\/main\/wp-content\/uploads\/2019\/03\/Pearls_TOC.png","_links":{"self":[{"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/posts\/773"}],"collection":[{"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/comments?post=773"}],"version-history":[{"count":3,"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/posts\/773\/revisions"}],"predecessor-version":[{"id":781,"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/posts\/773\/revisions\/781"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/media\/775"}],"wp:attachment":[{"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/media?parent=773"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/categories?post=773"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.clowersresearch.com\/main\/wp-json\/wp\/v2\/tags?post=773"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}