John A. Montgomery
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View article: Versatile Imidazole Scaffold with Potent Activity against Multiple Apicomplexan Parasites
Versatile Imidazole Scaffold with Potent Activity against Multiple Apicomplexan Parasites Open
Malaria, toxoplasmosis, and cryptosporidiosis are caused by apicomplexan parasites Plasmodium spp., Toxoplasma gondii, and Cryptosporidium parvum, respectively, and pose major health challenges. Their therapies are inadequate, ineffective …
View article: Charge Transfer via Temporary Bonds in $C_{60} + C_{60}^+$ Molecular Collisions
Charge Transfer via Temporary Bonds in $C_{60} + C_{60}^+$ Molecular Collisions Open
We present a theoretical description of resonant charge transfer in collisions of nano-particles, specifically for $C_{60} + C_{60}^+$ collisions. We predict that transient bonds between colliding fullerenes can significantly extend the in…
View article: CCDC 2177624: Experimental Crystal Structure Determination
CCDC 2177624: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Model of Charge Transfer Collisions Between $C_{60}$ and Slow Ions
Model of Charge Transfer Collisions Between $C_{60}$ and Slow Ions Open
A semi-classical model describing the charge transfer collisions of $C_{60}$ fullerene with different slow ions has been developed to explain available experimental data. This data reveals multiple Breit-Wigner like peaks in the cross sect…
View article: Photoassociation of ultracold long-range polyatomic molecules
Photoassociation of ultracold long-range polyatomic molecules Open
We explore the feasibility of optically forming long-range tetratomic and\nlarger polyatomic molecules in their ground electronic state from ultracold\npairs of polar molecules aligned by external fields. Depending on the relative\norienta…
View article: CCDC 2074326: Experimental Crystal Structure Determination
CCDC 2074326: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2074325: Experimental Crystal Structure Determination
CCDC 2074325: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Engineering P450 TamI as an Iterative Biocatalyst for Selective Late-Stage C-H Functionalization and Epoxidation of Tirandamycin Antibiotics
Engineering P450 TamI as an Iterative Biocatalyst for Selective Late-Stage C-H Functionalization and Epoxidation of Tirandamycin Antibiotics Open
Iterative P450 enzymes are powerful biocatalysts for selective late-stage C-H oxidation of complex natural product scaffolds. These enzymes represent new tools for selectivity and cascade reactions, facilitating direct access to core st…
View article: Enantioselective alpha-Arylation of Benzamides via Synergistic Nickel and Metallaphotoredox Catalysis
Enantioselective alpha-Arylation of Benzamides via Synergistic Nickel and Metallaphotoredox Catalysis Open
A new method to access alpha-arylated benzamides has been enabled by metallaphotoredox catalysis. This system allows for non-directed C–H functionalization of N-alkyl benzamides using a dual nickel/iridium catalytic system to form tertiary…
View article: Fluoride Migration Catalysis Enables Simple, Stereoselective, and Iterative Glycosylation
Fluoride Migration Catalysis Enables Simple, Stereoselective, and Iterative Glycosylation Open
Challenges in the assembly of glycosidic bonds pose a bottleneck in enabling the remarkable promise of advances in the glycosciences. We report a strategy that applies unique features of electrophilic boron catalysts in addressing current …
View article: Synthesis of mixed hypermetallic oxide BaOCa <sup>+</sup> from laser-cooled reagents in an atom-ion hybrid trap
Synthesis of mixed hypermetallic oxide BaOCa <sup>+</sup> from laser-cooled reagents in an atom-ion hybrid trap Open
A chilly meeting of barium and calcium The periodic table is an excellent predictor of element ratios in chemical compounds that form at temperatures that we commonly experience, give or take a factor of 10. Strange things start happening …
View article: Computationally efficient double hybrid density functional theory using dual basis methods
Computationally efficient double hybrid density functional theory using dual basis methods Open
We examine the application of the recently developed dual basis methods of Head-Gordon and co-workers to double hybrid density functional computations. Using the B2-PLYP, B2GP-PLYP, DSD-BLYP and DSD-PBEP86 density functionals, we assess th…