Quantum Simulation of the Silicene and Germanene for Sensing and Sequencing of DNA/RNA Nucleobases
Biosensors, 2021 Over the last decade, we have been witnessing the rise of two-dimensional (2D) materials. Several 2D materials with outstanding properties have been theoretically predicted and experimentally synthesized.
Hikmet Hakan Gürel, Bahadır Salmankurt
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ORIGIN: Laser Desorption Ionization Mass Spectrometry of Nucleobases for In Situ Space Exploration
The Planetary Science JournalThe ORganics Information Gathering INstrument (ORIGIN) is a space-prototype laser desorption ionization mass spectrometer designed to analyze molecular biosignatures.
Nikita J. Boeren +4 more
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A TDDFT Computational Study of Platinum Complexes Bound to Nucleobases [PDF]
, 2016 The electronic spectra of a number of platinum (II) complexes bound to single nucleobases have been investigated using Time-Dependent Density Functional Theory (TDDFT). The calculated spectra obtained in this work have been benchmarked against recent gas-
Mensa-Bonsu, Golda
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Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches [PDF]
, 2022 The determination of the redox properties of nucleobases is of paramount importance to get insight into the charge-transfer processes in which they are involved, as those occurring in DNA-inspired biosensors.
Juan J., Nogueira +4 more
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Characterising conical intersections in DNA/RNA nucleobases with multiconfigurational wave functions of varying active space size [PDF]
, 2023 We characterise the photochemically relevant conical intersections between the lowest-lying accessible electronic excited states of the different DNA/RNA nucleobases using Cholesky decomposition-based complete active space selfconsistent field (CASSCF ...
Ignacio , Fernández Galván +7 more
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Intramolecular and Intermolecular Hole Delocalization Rules the Reducer Character of Isolated Nucleobases and Homogeneous Single-Stranded DNA [PDF]
, 2023 The use of DNA strands as nanowires or electrochemical biosensors requires a deep understanding of charge transfer processes along the strand, as well as of the redox properties.
Jesús, Lucia-Tamudo +5 more
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Intrinsic Stacking Interactions of Natural and Artificial Nucleobases [PDF]
, 2019 The intrinsic (gas-phase) stacking energies of natural and artificial nucleobases were explored using density functional theory (DFT) and correlated ab initio methods.
Laura J. Kingsley (7461132) +3 more
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Towards the Development of Novel Diclofenac Multicomponent Pharmaceutical Solids
Crystals, 2022 Multicomponent pharmaceutical materials offer new opportunities to address drug physicochemical issues and to obtain improved drug formulation, especially on oral administration drugs. This work reports three new multicomponent pharmaceutical crystals of
Francisco Javier Acebedo-Martínez +5 more
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Hammerhead Ribozymes: True Metal or Nucleobase Catalysis? Where Is the Catalytic Power from?
Molecules, 2010 The hammerhead ribozyme was first considered as a metalloenzyme despite persistent inconsistencies between structural and functional data. In the last decade, metal ions were confirmed as catalysts in self-splicing ribozymes but displaced by nucleobases ...
Fabrice Leclerc
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Development of a Universal Nucleobase and Modified Nucleobases for Expanding the Genetic Code [PDF]
Current Protocols in Nucleic Acid Chemistry, 2002 AbstractThis unit presents protocols for the synthesis and characterization of nucleosides with unnatural bases in order to develop bases for the expansion of the genetic alphabet or for nonselective pairing opposite natural bases. Protocols describe the design, synthesis, and characterization of unnatural base pairs involving 1‐β‐D‐2‐deoxyribosyl‐N ...
Romesberg, Floyd E. +3 more
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