Scientists are trying to discover the exact sequence of events that occurs when light strikes photoactive proteins, changing their atomic structure, or \u201cshape.\u201d That biochemical process unfolds in processes like photosynthesis.<\/p>\n
Until now, only the first and last states of a molecule before and after certain ultrafast chemical reactions could be determined. Scientists want to know how the absorbed energy affects the protein\u2019s shape in the course of the reaction. Only then can they discover how the protein accomplishes its job.<\/p>\n
A team of researchers, led by Abbas Ourmazd, 51ÁÔÆæ distinguished professor of physics, and Robin Santra from the Deutsches Elektronen-Synchrotron (DESY), has created a machine-learning approach to track the way in which the photoactive yellow protein (PYP) undergoes changes in its structure in a fraction of a second after being excited by light. The details were published Nov. 3 in the journal Nature.<\/p>\n
The event occurs so quickly that current methods of molecular imaging could not capture it. Now, the research team has used their technique to make a 3D movie of it.<\/p>\n
Their algorithm used data from a 2016 molecular movie that showed PYP changing its shape upon sensing light. But the older movie captured what happened on a longer time scale. The new movie reveals how the protein changes in a time window that was so lighting quick, it was \u201chidden\u201d within the older version.<\/p>\n
\u201cEssentially, the algorithm can extract 100 times more information from 100 times less experimental data,\u201d said Ourmazd. \u201cYou don\u2019t have to do anything other than apply the algorithm.\u201d<\/p>\n
The resulting movies show the way PYP\u2019s atomic structure changes as the 2,000-atom protein passes through a \u201cconical intersection\u201d in only a few femtoseconds (quadrillionths of a second).<\/p>\n
Their movie shows how the protein changes even before the photon\u2019s energy is manifested as heat after it is absorbed, said Marius Schmidt, a 51ÁÔÆæ professor of physics. Schmidt led the 2016 experiment that generated the data used for this project.<\/p>\n
The new data-science technique \u201ccaptures\u201d ultrafast motions of the protein as it reacts to the absorption of a photon, said Ahmad Hosseinizadeh, 51ÁÔÆæ scientist and the paper\u2019s first author. \u201cThis has been done in the presence of extreme noise and with almost 97% incomplete information,\u201d Hosseinizadeh said.<\/p>\n
Besides its application to structural biology, the algorithm can be used to solve other problems involving timing uncertainties. For example, in 2020 the 51ÁÔÆæ group used the algorithm to greatly improve the estimation of the fetal gestational age, when the exact date of conception is unknown. This is important for predicting premature birth, the leading cause of death in young children.<\/p>\n
Work described in the just-published Nature paper was performed in association with BioXFEL, a Science and Technology Center created in 2013 by the National Science Foundation to use X-ray Free Electron Lasers (XFELs) to create 3D movies of molecular events, such as drugs binding or proteins working on ultrafast timescales. The development of underlying algorithms was supported by the U.S. Department of Energy.<\/p>\n
XFELs produce a stream of extremely intense X-rays, firing in short pulses so rapid that they can capture images of some of the fastest processes in nature. In XFEL imaging, Ourmazd\u2019s team mathematically reconstructs the multitude of single images produced by X-ray scattering to form 3D movies. Their algorithm dramatically improves that process.<\/p>\n
The 51ÁÔÆæ team also included Associate Professor Peter Schwander and Senior Scientist Russell Fung.<\/p>\n
By Laura Otto<\/strong>, University Relations<\/small><\/p>\n","protected":false},"excerpt":{"rendered":" Scientists are trying to discover the exact sequence of events that occurs when light strikes photoactive proteins, changing their atomic structure, or \u201cshape.\u201d That biochemical process unfolds in processes like photosynthesis. Until now, only the first and last states of …<\/p>\n","protected":false},"author":28112,"featured_media":17127,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":"","uwm_wg_additional_authors":[]},"categories":[1715],"tags":[1862],"class_list":["post-17116","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-in-focus-2021","tag-december"],"yoast_head":"\n