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Bulky Lesion Bypass Requires Dpo4 Binding in Distinct Conformations
Article describes study where researchers used single-molecule florescence resonance energy transfer (smFRET) experiments, classical molecular dynamics simulations, and nucleotide incorporation assays to investigate the mechanism by which the model Y-family polymerase, Dpo4, bypasses a (+)-cis-Benzo[a]pyrene (B[a]P)-N 2-dG adduct in DNA.
Date:
December 12, 2017
Creator:
Liyanage, Pramodha S.; Walker, Alice R.; Brenlla, Alfonso; Cisneros, Gerardo Andrés; Romano, Louis J. & Rueda, David S.
System:
The UNT Digital Library
Experimental and Computational Preference for Phosphine Regioselectivity and Stereoselective Tripodal Rotation in Hos₃(Co)₈(PPh₃)₂(μ-1,2-N,Cη-¹,ᴋ¹-C₇H₄NS)
This article investigates the site preference for ligand substitution in the benzothiazolate-bridged cluster HOs₃(CO)₁₀(μ-1,2-N,Cη-¹,ᴋ¹-C₇H₄NS) using PPh₃.
Date:
September 12, 2018
Creator:
Begum, Shahin A.; Chowdhury, Md. Arshad H.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Yang, Li et al.
System:
The UNT Digital Library
Revisiting surface core-level shifts for ionic compounds
Article establishing a theoretical method which is able to relate the binding energy shifts to the electronic structure of a material. In order to establish such a methodology, the CaO(100) surface to bulk core-level binding energy shifts are studied with Hartree-Fock and density-functional theory methods using both cluster and periodic slab models.
Date:
September 12, 2019
Creator:
Bagus, Paul S.; Nelin, Connie J.; Zhao, Xunhua; Levchenko, Sergey V.; Davis, Earl; Weng, Xuefei et al.
System:
The UNT Digital Library
Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature
This article shows a connection between spin Hall effect and HOTIs using a combination of ab initio calculations and tight-binding modeling. The model demonstrates how a non-zero bulk midgap spin Hall conductivity (SHC) emerges within the HOTI phase. This work guides novel experimental and theoretical advances towards higher-order topological insulator realization and applications.
Date:
April 12, 2021
Creator:
Costa, Marcio; Mera Acosta, Carlos; Padilha, Antonio C.M.; Cerasoli, Frank T.; Buongiorno Nardelli, Marco & Fazzio, Adalberto
System:
The UNT Digital Library
Increasing the Equilibrium Solubility of Meloxicam in Aqueous Media by Using Dimethyl Sulfoxide as a Cosolvent: Correlation, Dissolution Thermodynamics and Preferential Solvation
This article studies the solubility of meloxicam in dimethyl sulfoxide (DMSO)-aqueous solvent systems at several temperatures from 273.15 to 313.15 K to expand the solubility database about analgesic drugs in mixed solvents.
Date:
August 12, 2022
Creator:
Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Peña, María Á.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Improving the Selectivity of the C-C Coupled Product Electrosynthesis by Using Molecularly Imprinted Polymer-An Enhanced Route from Phenol to Biphenol
Authors of the article describe how they developed a procedure for selective 2,4-dimethylphenol, DMPh, direct electro-oxidation to 3,3' ,5,5'-tetramethyl-2,2'-biphenol, TMBh, a C-C coupled product. The authors claim that the procedure is reasonably selective towards TMBh without requiring harmful additives or elevated temperatures.
Date:
October 12, 2023
Creator:
Sudagar, Alcina Johnson; Shao, Shuai; Żołek, Teresa; Maciejewska, Dorota; Asztemborska, Monika; Cieplak, Maciej et al.
System:
The UNT Digital Library