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oai:figshare.com:article/33969719 2026-09-23T03:07:54Z category_1 category_4 category_146 category_8 category_15 category_19 category_24 category_931 category_122 portal_63 item_type_3 month_year_09_2026

Design Principles to Promote Acid–Base Interactions with a Weak Second-Sphere Lewis Acid Alice L. Atkins (20284768) Matthias Zeller (526374) Nathaniel K. Szymczak (1366959) Biophysics Biochemistry Space Science Microbiology Neuroscience Pharmacology Evolutionary Biology Information Systems not elsewhere classified Mental Health sphere chemistry due facilitates substrate binding appended nhc scaffold enable cooperative binding enable cooperativity weak second weak acidity metal center Boronic esters such as BPin are underutilized in secondary-sphere chemistry due to their weak acidity. We report a design strategy to enable cooperative binding with a BPin-appended NHC scaffold. Employing a shortened tether enhances preorganization and facilitates substrate binding in tandem with the metal center. Experimental and computational analyses clarify principles of the design that enable cooperativity. 2026-09-22T00:00:00Z Dataset Dataset 10.1021/acs.inorgchem.6c04135.s002 https://figshare.com/articles/dataset/Design_Principles_to_Promote_Acid_Base_Interactions_with_a_Weak_Second-Sphere_Lewis_Acid/33969719 CC BY-NC 4.0