2026-09-24T14:36:00Z https://www.ideals.illinois.edu/oai-pmh

oai:www.ideals.illinois.edu:2142/113292 2023-07-11 col_2142_5131 col_2142_14789 com_2142_5130 com_2142_14788 com_2142_8903

Burke, Martin D Burke, Martin D van der Donk, Wilfred A Mitchell, Douglas A Peng, Jian Simons, Claire Lillian Wolfe 2022-01-12T22:55:02Z 2022-01-12T22:55:02Z 2024-01-12T22:56:20Z 2021-07-14 2021-08 The synthesis of small molecule natural products has long captivated the attention of chemists and has generally proceeded via custom solutions to specific molecules. We propose to instead utilize a human guided algorithm to analyze a building block approach to natural products and identify key methodologies. Additionally, the stereochemical make up around each coupling can be used to help guide the creation of a substrate table. Herein we report the use of an algorithm to systematically fragment all linear natural product, conduct an optimization to choose the smallest set of blocks required to cover >75% of natural product chemical space, and establish a list of impactful couplings. We then selected one of the couplings and used a data driven substrate scope to guide methodological development that covered the predetermined substrates. Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2023-08-01 The student, Claire Simons, accepted the attached license on 2021-07-09 at 12:36. The student, Claire Simons, submitted this Dissertation for approval on 2021-07-09 at 12:54. This Dissertation was approved for publication on 2021-07-14 at 08:43. DSpace SAF Submission Ingestion Package generated from Vireo submission #16830 on 2022-01-12 at 13:04:20 Made available in DSpace on 2022-01-12T22:55:02Z (GMT). No. of bitstreams: 2 SIMONS-DISSERTATION-2021.pdf: 11557584 bytes, checksum: 278e04f62b91d06d12c71d4573a5fddb (MD5) LICENSE.txt: 4210 bytes, checksum: 7c80c652a8778b2d7794b99bdc4b63a2 (MD5) Previous issue date: 2021-07-14 Embargo set by: Seth Robbins for item 121220 Lift date: 2024-01-12T22:55:09Z Reason: Author requested closed access (OA after 2yrs) in Vireo ETD system Embargo set by: Seth Robbins for item 121220 Lift date: 2024-01-12T22:56:20Z Reason: Author requested closed access (OA after 2yrs) in Vireo ETD system Author requested closed access (OA after 2yrs) in Vireo ETD system Limited application/pdf http://hdl.handle.net/2142/113292 en Copyright 2021 Claire Simons Natural product synthesis building block synthesis computationally guided methodology Development of algorithmically prioritized methods for generalized natural product synthesis text Thesis Chemistry Chemistry University of Illinois at Urbana-Champaign Dissertation Ph.D.