Article
Chemistry, Physical
Ye Eun Rebecca Jeong, Stefan A. P. Lenz, Stacey D. Wetmore
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Biochemistry & Molecular Biology
Preethi Seelam Prabhakar, Nathania A. Takyi, Stacey D. Wetmore
Summary: tRNA, the most diversely modified RNA, undergoes significant conformational flexibility due to hypermodifications in the anticodon loop, which can be further fine-tuned by small functional groups. Despite different ways of achieving the dominant conformation, all modified tRNA drive the ASL domain to adopt the functional open-loop conformation, emphasizing the likely role of regulating mRNA structure and translation.
Article
Chemistry, Inorganic & Nuclear
Douglas Turnbull, Praveen Chaudhary, Paul Hazendonk, Stacey D. Wetmore, Michael Gerken
Summary: The Lewis-acid behavior of [SF3][MF6] (M = Sb, As) salts towards mono- and bidentate nitrogen bases was investigated, showing different properties of the resulting salts in solid state and solution phase.
INORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Katie A. Wilson, Ryan W. Kung, Simmone D'souza, Stacey D. Wetmore
Summary: A search in over 300 high-resolution RNA-protein complexes identified more than 1500 pi-contacts, with over 80% of structures containing at least one pi-interaction. Pi-pi contacts accounted for 59% of the interactions, impacting greatly the stability and function of RNA and protein.
NUCLEIC ACIDS RESEARCH
(2021)
Article
Chemistry, Medicinal
Priya Bhutani, Makay T. Murray, Craig W. Sommer, Katie A. Wilson, Stacey D. Wetmore
Summary: The study investigated the impact of the size and flexibility of O4-POB-T on pol eta replication outcomes, revealing that while O4-POB-T forms favorable structures in the pol eta active site and DNA duplexes, its inherent dynamic nature periodically disrupts hydrogen bonding, affecting dGTP insertion and stabilization of damaged DNA. This sheds light on the nonmutagenic replication pathway for thymine alkylated lesions by pol eta and emphasizes the broader implications of bulky moiety size, flexibility, and position on mutagenic outcomes.
CHEMICAL RESEARCH IN TOXICOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Douglas Turnbull, Stacey D. Wetmore, Michael Gerken
Summary: The first isolated examples of cationic fluoridotungsten(V) complexes are reported with new geometry indices for easier differentiation of different geometries. Computational studies show a second-order Jahn-Teller distortion in d(0) complexes transitioning from trigonal-dodecahedral to square-antiprismatic geometries, with significant stabilization in 5d complexes containing fluorido ligands and monodentate neutral donors.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Medicinal
Ryan W. Kung, Trinity K. Deak, Cassidy A. Griffith-Salik, Nathania A. Takyi, Stacey D. Wetmore
Summary: Human exposure to aromatic amines can lead to carcinogenic DNA adducts. The study found that the structure of DNA under diadducted conditions may have different effects on replication and repair compared to monoadducted DNA.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Medicinal
Sarabjeet Kaur, Payal Grover, Stacey D. Wetmore, Purshotam Sharma
Summary: Recent studies have suggested that noncanonical bases may have undergone molecular selection within the prebiotic soup to spontaneously form supramolecular assemblies, which then covalently assembled into an RNA-like polymer. The stacking interactions between nucleobases play a crucial role in the evolution from preRNA to RNA, with preferential stacking of nonidentical bases over identical bases observed in the study. Enhanced stacking stability in canonical dimers compared to preRNA-containing dimers indicates the importance of stacking interactions in the evolution of genetic material.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Physical
Briana T. A. Boychuk, Ye Eun Rebecca Jeong, Stacey D. Wetmore
Summary: Understanding how lithium interacts with complex biosystems is crucial for uncovering its roles in biology and designing extraction techniques for battery production and environmental remediation. A new database of Li+-nucleic acid interactions provides fundamental information about Li+ binding to nucleic acids. The study identifies a range of functionals that accurately describe coordinated Li+-nucleic acid interactions, with caution needed when choosing a functional to describe a diverse range of Li+-nucleic acid complexes.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Review
Genetics & Heredity
Prakash Amruth Raj Chukka, Stacey D. Wetmore, Nehal Thakor
Summary: Translational control plays a crucial role in dictating gene expression and altering physiological processes in eukaryotic cells. eIF5B plays a significant role in this process, especially in the survival and drug resistance of cancer cells.
FRONTIERS IN GENETICS
(2021)
Article
Chemistry, Medicinal
Ryan W. Kung, Nathania A. Takyi, Stacey D. Wetmore
Summary: This study uses molecular dynamics simulations to investigate the structural impact of DNA exposure to the bladder carcinogen ABP. It is found that diadducted DNA shows an influence on the structure, with neighboring adducts preferring an anti conformation, and next-nearest neighbor damaged sites preferring a syn conformation.
CHEMICAL RESEARCH IN TOXICOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Felix O'Donnell, Douglas Turnbull, Stacey D. Wetmore, Michael Gerken
Summary: The study demonstrates the novel donor-stabilised [SbF4] (+) cations prepared from the autoionisation of SbF5 with the presence of bidentate N-donor ligands. These salts exhibit remarkable stability and were characterized using spectroscopic methods. The results indicate a significant degree of electron-pair donation from N to Sb stabilizes [SbF4] (+) with the cationic charge primarily being ligand-centred.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Inorganic & Nuclear
Janelle Bykowski, Douglas Turnbull, Nolan Hahn, Rene T. Boere, Stacey D. Wetmore, Michael Gerken
Summary: Lewis acid-base adducts MoF5(NC5H5)(n) and MoOF4(NC5H5)n were synthesized and characterized, with X-ray crystallography, Raman spectroscopy, multinuclear NMR spectroscopy, and EPR spectroscopy used to analyze their structural and property differences. The study elucidated the distinctive bonding and structural properties of the adducts, highlighting the fundamental differences in Lewis acid behavior between MoF5 and MoOF4.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Katie A. Wilson, Ye Eun Rebecca Jeong, Stacey D. Wetmore
Summary: This article provides an overview of computational work conducted to understand the mutagenicity of tobacco-derived DNA lesions. Through calculations and simulations, insights into the molecular structures and mechanisms of tobacco damage are obtained, providing important insights into the differential mutagenic properties of these lesions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Karan Deep Sharma, Preetleen Kathuria, Stacey D. Wetmore, Purshotam Sharma
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)