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DTSTART:19960101T000000 END:STANDARD BEGIN:STANDARD TZNAME:GMT TZOFFSETFROM:+0100 TZOFFSETTO:+0000 DTSTART:19961027T020000 RRULE:FREQ=YEARLY;BYMONTH=10;BYDAY=-1SU END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTAMP:20260625T215135Z DTSTART;VALUE=DATE-TIME:20161124T130000 DTEND;VALUE=DATE-TIME:20161124T140000 SUMMARY:Theory Seminar: Ivan Coluzza (Vienna): Design of patchy polymers: biomimetic self-knotting chains TZID:Europe/London UID:20161124-094d434557c2372c0157c3147f121c0e@warwick.ac.uk CREATED:20161014T120442Z DESCRIPTION:We present a novel theoretical framework within which we are able to design new experimentally realisable materials with tuneable sel f-assembling properties. Our work takes inspiration from the results obt ained with our recently developed protein coarse graining procedure\, na mely the “Caterpillar†model [1\,2]. Based on these results we postulate d the “minimum valence principle" (MVP). According to the MVP in order f or a generalised bead-spring system to be designable and foldable\, it i s sufficient for the chain to have a sequence of different isotropic int eractions combined with directional interactions that further constrain the configurational space. Based on this principle we introduced an opti mal set of modular sub-units\, and the definition of a design procedure necessary to choose a string of the units that once bonded into a chain will spontaneously fold to a specific target structure [3-5]. We show th at such structures can be highly non-symmetrical and posses interesting topological properties fully controllable by the sequence of beads along the chain. Biomimetic patchy polymers represent a considerable step for ward in the synthesis of novel materials\, because they are based on a l imited alphabet of particles that can be reused and assembled\, practica lly\, in an infinite number of combinations. Artificial modular self ass embling systems such as this one are not available at the moment and the one we propose is the first of this kind. [1] Coluzza\, I. (2011). A co arse-grained approach to protein design: learning from design to underst and folding. PloS one\, 6(7)\, e20853. doi:10.1371/journal.pone.0020853 [2] Coluzza\, I. (2013). Transferable coarse-grained potential for de no vo protein folding and design. Submitted. [3] Coluzza\, I.\, & Dellago\, C. (2012). The configurational space of colloidal patchy polymers with heterogeneous sequences. Journal of Physics: Condensed Matter\, 24(28)\, 284111. doi:10.1088/0953-8984/24/28/284111 [4] Coluzza\, I.\, van Oostr um\, P. D. J.\, Capone\, B.\, Reimhult\, E.\, & Dellago\, C. (2012). Des ign and folding of colloidal patchy polymers. Soft Matter. doi:10.1039/c 2sm26967h [5] Coluzza\, I.\, van Oostrum\, P. D. J.\, Capone\, B.\, Reim hult\, E.\, & Dellago\, C. (2013). Sequence Controlled Self-Knotting Col loidal Patchy Polymers. Physical Review Letters\, 110(7)\, 075501. doi:1 0.1103/PhysRevLett.110.075501 LOCATION:PS1.28 URL:http://homepage.univie.ac.at/ivan.coluzza/Home_Page/Welcome.html ATTACH:http://homepage.univie.ac.at/ivan.coluzza/Home_Page/Welcome.html CATEGORIES:Theory Seminar LAST-MODIFIED:20161117T173852Z ORGANIZER;CN=Gareth Alexander: END:VEVENT END:VCALENDAR