Kevin M. Smith
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View article: Ladder-Type Cu(II) Coordination Polymer with π–π Stacking of Planar Blatter Radical Ligands: Structural and Magnetic Characterization
Ladder-Type Cu(II) Coordination Polymer with π–π Stacking of Planar Blatter Radical Ligands: Structural and Magnetic Characterization Open
The synthesis of two C(2)-pyridyl derivatives of the planar Blatter radical was developed by using the tris-(trimethylsilyl)-silane (TTMSS)-assisted cyclization of appropriate iodoarenes. These monodentate paramagnetic ligands were charact…
View article: Chemical templates of the Central Molecular Zone
Chemical templates of the Central Molecular Zone Open
Context . The Central Molecular Zone (CMZ) of the Milky Way exhibits extreme conditions, including high gas densities, elevated temperatures, enhanced cosmic-ray ionization rates, and large-scale dynamics. This makes it a perfect laborator…
View article: Modeling Finite Deformations in Alloying Electrodes -- A Closer Look at Cracks and Pores During Phase Transformation
Modeling Finite Deformations in Alloying Electrodes -- A Closer Look at Cracks and Pores During Phase Transformation Open
Nanostructured electrodes with voids or interconnected pores accommodate large volume changes, shorten ion diffusion pathways, and enhance the structural reversibility of alloying electrodes. While these nanoporous features improve the per…
View article: An A‐T Hoogsteen Base Pair in a Naked DNA Hairpin Motif: A Protein‐Recognized Conformation
An A‐T Hoogsteen Base Pair in a Naked DNA Hairpin Motif: A Protein‐Recognized Conformation Open
In duplex DNA, A‐T and G‐C form Watson‐Crick base pairs, and Hoogsteen pairing only dominates upon protein binding or DNA damage. Using NMR, we show that an A‐T Hoogsteen base pair previously observed in crystal structures of transposon DN…
View article: 173. Identifying Opportunities for Urine Culture Diagnostic Stewardship in a Pediatric Health System
173. Identifying Opportunities for Urine Culture Diagnostic Stewardship in a Pediatric Health System Open
Background Reflex urine cultures based on urinalysis (UA) parameters are commonly used to avoid excess urine cultures and reduce treatment of asymptomatic bacteriuria in adults. Reflex testing is less common in pediatrics and optimal UA pa…
View article: An A-T Hoogsteen base pair in a naked DNA hairpin motif: A Protein-Recognized Conformation
An A-T Hoogsteen base pair in a naked DNA hairpin motif: A Protein-Recognized Conformation Open
In duplex DNA, A-T and G-C form Watson-Crick base pairs, and Hoogsteen pairing only dominates upon protein binding or DNA damage. Using NMR, we show that an A-T Hoogsteen base pair previously observed in crystal structures of transposon DN…
View article: Perturbed Traceless SU(2) Character Varieties of Tangle Sums
Perturbed Traceless SU(2) Character Varieties of Tangle Sums Open
If a link $L$ can be decomposed into the union of two tangles $T\cup_{S^2} S$ along a 2-sphere intersecting $L$ in 4 points, then the intersections of perturbed traceless SU(2) character varieties of tangles in a space called the pillowcas…
View article: Synthesis and Regioselective Functionalization of Tetrafluorobenzo-[α]-Fused BOPYPY Dyes
Synthesis and Regioselective Functionalization of Tetrafluorobenzo-[α]-Fused BOPYPY Dyes Open
The synthesis of a new bis-BF2 tetrafluorobenzo-[α]-fused BOPYPY dye from 4,5,6,7-tetrafluoroisoindole and 2-hydrazinopyrazine is reported. The regioselectivity of nucleophilic substitution reactions at the periphery of the tetrafluorinate…
View article: Pilot study to evaluate the safety and effectiveness of etidronate treatment for arterial calcification due to deficiency of CD73 (ACDC)
Pilot study to evaluate the safety and effectiveness of etidronate treatment for arterial calcification due to deficiency of CD73 (ACDC) Open
Background: Arterial calcification due to deficiency of CD73 (ACDC; OMIM 211800) is a rare genetic disease resulting in calcium deposits in arteries and small joints causing claudication, resting pain, severe joint pain, and deformities. C…
View article: CCDC 2302279: Experimental Crystal Structure Determination
CCDC 2302279: 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 2302278: Experimental Crystal Structure Determination
CCDC 2302278: 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: 5- and 10-oxocorroles from β-octaalkylcorroles
5- and 10-oxocorroles from β-octaalkylcorroles Open
5- and 10-oxocorrole species can be readily obtained by reaction of Zn ions with β-octaalkylcorrole.
View article: Cover Feature: Palladium Complexes of <i>N</i>‐Methylcorroles (Chem. Eur. J. 64/2023)
Cover Feature: Palladium Complexes of <i>N</i>‐Methylcorroles (Chem. Eur. J. 64/2023) Open
Corroles at a looking glass: The inner-core N-methylation of a corrole can afford two monoalkylated regioisomers that are intrinsically chiral. The enantiomeric pairs have been separated by chromatography, and their absolute configuration …
View article: CCDC 2269993: Experimental Crystal Structure Determination
CCDC 2269993: 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 2269995: Experimental Crystal Structure Determination
CCDC 2269995: 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 2269992: Experimental Crystal Structure Determination
CCDC 2269992: 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 2269994: Experimental Crystal Structure Determination
CCDC 2269994: 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 2269991: Experimental Crystal Structure Determination
CCDC 2269991: 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: Palladium Complexes of <i>N</i>‐Methylcorroles
Palladium Complexes of <i>N</i>‐Methylcorroles Open
Alkylation of one of the inner‐core nitrogen atoms is one possible approach to obtain dianionic corrole ligands, suitable for the coordination of divalent metal ions, such as Pd II . Inner‐core N‐methylation can be obtained by treating the…
View article: Multi-Functional Boron-Delivery Agents for Boron Neutron Capture Therapy of Cancers
Multi-Functional Boron-Delivery Agents for Boron Neutron Capture Therapy of Cancers Open
Boron neutron capture therapy (BNCT) is a binary cancer treatment that involves the irradiation of 10B-containing tumors with low-energy neutrons (thermal or epithermal). The alpha particles and recoiling Li nuclei that are produced in the…
View article: Obesity and Autoimmune Diseases: Current Understanding and Future Directions
Obesity and Autoimmune Diseases: Current Understanding and Future Directions Open
Obesity and Autoimmune Diseases: Current Understanding and Future Directions Introduction:The relationship between obesity and autoimmune diseases has gained increasing attention inrecent years. Autoimmune diseases are characterized by an …
View article: Amino Acid Derivatives of Chlorin-e6—A Review
Amino Acid Derivatives of Chlorin-e6—A Review Open
Details of the structural elucidation of the clinically useful photodynamic therapy sensitizer NPe6 (15) are presented. NPe6, also designated as Laserphyrin, Talaporfin, and LS-11, is a second-generation photosensitizer derived from chloro…
View article: Safety and Tolerability of SER-109 as an Investigational Microbiome Therapeutic in Adults With Recurrent <i>Clostridioides difficile</i> Infection
Safety and Tolerability of SER-109 as an Investigational Microbiome Therapeutic in Adults With Recurrent <i>Clostridioides difficile</i> Infection Open
Importance A safe and effective treatment for recurrent Clostridioides difficile infection (CDI) is urgently needed. Antibiotics kill toxin-producing bacteria but do not repair the disrupted microbiome, which promotes spore germination and…
View article: Time-domain simulation of the crab cavity/beam interaction
Time-domain simulation of the crab cavity/beam interaction Open
The Electron-Ion Collider (EIC) will employ crab cavities to maximize luminosity. A time-domain simulation is developed to study the interaction between the particle beam and the crab cavities in the EIC, including the Low-Level RF (LLRF) …